single phase model: Topics by Science.gov

Sample records for single phase model

Single-arm phase II trial design under parametric cure models.

PubMed

Wu, Jianrong

2015-01-01

The current practice of designing single-arm phase II survival trials is limited under the exponential model. Trial design under the exponential model may not be appropriate when a portion of patients are cured. There is no literature available for designing single-arm phase II trials under the parametric cure model. In this paper, a test statistic is proposed, and a sample size formula is derived for designing single-arm phase II trials under a class of parametric cure models. Extensive simulations showed that the proposed test and sample size formula perform very well under different scenarios. Copyright © 2015 John Wiley & Sons, Ltd.
Development of the self-learning machine for creating models of microprocessor of single-phase earth fault protection devices in networks with isolated neutral voltage above 1000 V

NASA Astrophysics Data System (ADS)

Utegulov, B. B.; Utegulov, A. B.; Meiramova, S.

2018-02-01

The paper proposes the development of a self-learning machine for creating models of microprocessor-based single-phase ground fault protection devices in networks with an isolated neutral voltage higher than 1000 V. Development of a self-learning machine for creating models of microprocessor-based single-phase earth fault protection devices in networks with an isolated neutral voltage higher than 1000 V. allows to effectively implement mathematical models of automatic change of protection settings. Single-phase earth fault protection devices.
Preliminary Phase Field Computational Model Development

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

Li, Yulan; Hu, Shenyang Y.; Xu, Ke

2014-12-15

This interim report presents progress towards the development of meso-scale models of magnetic behavior that incorporate microstructural information. Modeling magnetic signatures in irradiated materials with complex microstructures (such as structural steels) is a significant challenge. The complexity is addressed incrementally, using the monocrystalline Fe (i.e., ferrite) film as model systems to develop and validate initial models, followed by polycrystalline Fe films, and by more complicated and representative alloys. In addition, the modeling incrementally addresses inclusion of other major phases (e.g., martensite, austenite), minor magnetic phases (e.g., carbides, FeCr precipitates), and minor nonmagnetic phases (e.g., Cu precipitates, voids). The focus ofmore » the magnetic modeling is on phase-field models. The models are based on the numerical solution to the Landau-Lifshitz-Gilbert equation. From the computational standpoint, phase-field modeling allows the simulation of large enough systems that relevant defect structures and their effects on functional properties like magnetism can be simulated. To date, two phase-field models have been generated in support of this work. First, a bulk iron model with periodic boundary conditions was generated as a proof-of-concept to investigate major loop effects of single versus polycrystalline bulk iron and effects of single non-magnetic defects. More recently, to support the experimental program herein using iron thin films, a new model was generated that uses finite boundary conditions representing surfaces and edges. This model has provided key insights into the domain structures observed in magnetic force microscopy (MFM) measurements. Simulation results for single crystal thin-film iron indicate the feasibility of the model for determining magnetic domain wall thickness and mobility in an externally applied field. Because the phase-field model dimensions are limited relative to the size of most specimens used in experiments, special experimental methods were devised to create similar boundary conditions in the iron films. Preliminary MFM studies conducted on single and polycrystalline iron films with small sub-areas created with focused ion beam have correlated quite well qualitatively with phase-field simulations. However, phase-field model dimensions are still small relative to experiments thus far. We are in the process of increasing the size of the models and decreasing specimen size so both have identical dimensions. Ongoing research is focused on validation of the phase-field model. Validation is being accomplished through comparison with experimentally obtained MFM images (in progress), and planned measurements of major hysteresis loops and first order reversal curves. Extrapolation of simulation sizes to represent a more stochastic bulk-like system will require sampling of various simulations (i.e., with single non-magnetic defect, single magnetic defect, single grain boundary, single dislocation, etc.) with distributions of input parameters. These outputs can then be compared to laboratory magnetic measurements and ultimately to simulate magnetic Barkhausen noise signals.« less
First principles numerical model of avalanche-induced arc discharges in electron-irradiated dielectrics

NASA Technical Reports Server (NTRS)

Beers, B. L.; Pine, V. W.; Hwang, H. C.; Bloomberg, H. W.; Lin, D. L.; Schmidt, M. J.; Strickland, D. J.

1979-01-01

The model consists of four phases: single electron dynamics, single electron avalanche, negative streamer development, and tree formation. Numerical algorithms and computer code implementations are presented for the first three phases. An approach to developing a code description of fourth phase is discussed. Numerical results are presented for a crude material model of Teflon.
The application of single particle hydrodynamics in continuum models of multiphase flow

NASA Technical Reports Server (NTRS)

Decker, Rand

1988-01-01

A review of the application of single particle hydrodynamics in models for the exchange of interphase momentum in continuum models of multiphase flow is presented. Considered are the equations of motion for a laminar, mechanical two phase flow. Inherent to this theory is a model for the interphase exchange of momentum due to drag between the dispersed particulate and continuous fluid phases. In addition, applications of two phase flow theory to de-mixing flows require the modeling of interphase momentum exchange due to lift forces. The applications of single particle analysis in deriving models for drag and lift are examined.
Preliminary Two-Phase Terry Turbine Nozzle Models for RCIC Off-Design Operation Conditions

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

Zhao, Haihua; O'Brien, James

This report presents the effort to extend the single-phase analytical Terry turbine model to cover two-phase off-design conditions. The work includes: (1) adding well-established two-phase choking models – the Isentropic Homogenous Equilibrium Model (IHEM) and Moody’s model, and (2) theoretical development and implementation of a two-phase nozzle expansion model. The two choking models provide bounding cases for the two-phase choking mass flow rate. The new two-phase Terry turbine model uses the choking models to calculate the mass flow rate, the critical pressure at the nozzle throat, and steam quality. In the divergent stage, we only consider the vapor phase withmore » a similar model for the single-phase case by assuming that the liquid phase would slip along the wall with a much slower speed and will not contribute the impulse on the rotor. We also modify the stagnation conditions according to two-phase choking conditions at the throat and the cross-section areas for steam flow at the nozzle throat and at the nozzle exit. The new two-phase Terry turbine model was benchmarked with the same steam nozzle test as for the single-phase model. Better agreement with the experimental data is observed than from the single-phase model. We also repeated the Terry turbine nozzle benchmark work against the Sandia CFD simulation results with the two-phase model for the pure steam inlet nozzle case. The RCIC start-up tests were simulated and compared with the single-phase model. Similar results are obtained. Finally, we designed a new RCIC system test case to simulate the self-regulated Terry turbine behavior observed in Fukushima accidents. In this test, a period inlet condition for the steam quality varying from 1 to 0 is applied. For the high quality inlet period, the RCIC system behaves just like the normal operation condition with a high pump injection flow rate and a nominal steam release rate through the turbine, with the net addition of water to the primary system; for the low quality inlet period, the RCIC turbine shaft work dramatically decreases and results in a much reduced pump injection flow rate, and the mixture flow rate through the turbine increases due to the high liquid phase flow rate. The net effect for this period is net removal of coolant from the primary loop. With the periodic addition and removal of coolant to the primary loop, the self-regulation mode of the RCIC system can be maintained for a quite long time. Both the IHEM and Moody’s models generate similar phenomena; however noticeable differences can be observed.« less
Translating landfill methane generation parameters among first-order decay models.

PubMed

Krause, Max J; Chickering, Giles W; Townsend, Timothy G

2016-11-01

Landfill gas (LFG) generation is predicted by a first-order decay (FOD) equation that incorporates two parameters: a methane generation potential (L 0 ) and a methane generation rate (k). Because non-hazardous waste landfills may accept many types of waste streams, multiphase models have been developed in an attempt to more accurately predict methane generation from heterogeneous waste streams. The ability of a single-phase FOD model to predict methane generation using weighted-average methane generation parameters and tonnages translated from multiphase models was assessed in two exercises. In the first exercise, waste composition from four Danish landfills represented by low-biodegradable waste streams was modeled in the Afvalzorg Multiphase Model and methane generation was compared to the single-phase Intergovernmental Panel on Climate Change (IPCC) Waste Model and LandGEM. In the second exercise, waste composition represented by IPCC waste components was modeled in the multiphase IPCC and compared to single-phase LandGEM and Australia's Solid Waste Calculator (SWC). In both cases, weight-averaging of methane generation parameters from waste composition data in single-phase models was effective in predicting cumulative methane generation from -7% to +6% of the multiphase models. The results underscore the understanding that multiphase models will not necessarily improve LFG generation prediction because the uncertainty of the method rests largely within the input parameters. A unique method of calculating the methane generation rate constant by mass of anaerobically degradable carbon was presented (k c ) and compared to existing methods, providing a better fit in 3 of 8 scenarios. Generally, single phase models with weighted-average inputs can accurately predict methane generation from multiple waste streams with varied characteristics; weighted averages should therefore be used instead of regional default values when comparing models. Translating multiphase first-order decay model input parameters by weighted average shows that single-phase models can predict cumulative methane generation within the level of uncertainty of many of the input parameters as defined by the Intergovernmental Panel on Climate Change (IPCC), which indicates that decreasing the uncertainty of the input parameters will make the model more accurate rather than adding multiple phases or input parameters.
Criteria for predicting the formation of single-phase high-entropy alloys

DOE PAGES

Troparevsky, M Claudia; Morris, James R..; Kent, Paul R.; ...

2015-03-15

High entropy alloys constitute a new class of materials whose very existence poses fundamental questions. Originally thought to be stabilized by the large entropy of mixing, these alloys have attracted attention due to their potential applications, yet no model capable of robustly predicting which combinations of elements will form a single-phase currently exists. Here we propose a model that, through the use of high-throughput computation of the enthalpies of formation of binary compounds, is able to confirm all known high-entropy alloys while rejecting similar alloys that are known to form multiple phases. Despite the increasing entropy, our model predicts thatmore » the number of potential single-phase multicomponent alloys decreases with an increasing number of components: out of more than two million possible 7-component alloys considered, fewer than twenty single-phase alloys are likely.« less
Quaternion-valued single-phase model for three-phase power system

NASA Astrophysics Data System (ADS)

Gou, Xiaoming; Liu, Zhiwen; Liu, Wei; Xu, Yougen; Wang, Jiabin

2018-03-01

In this work, a quaternion-valued model is proposed in lieu of the Clarke's α, β transformation to convert three-phase quantities to a hypercomplex single-phase signal. The concatenated signal can be used for harmonic distortion detection in three-phase power systems. In particular, the proposed model maps all the harmonic frequencies into frequencies in the quaternion domain, while the Clarke's transformation-based methods will fail to detect the zero sequence voltages. Based on the quaternion-valued model, the Fourier transform, the minimum variance distortionless response (MVDR) algorithm and the multiple signal classification (MUSIC) algorithm are presented as examples to detect harmonic distortion. Simulations are provided to demonstrate the potentials of this new modeling method.
Guidelines for the formulation of Lagrangian stochastic models for particle simulations of single-phase and dispersed two-phase turbulent flows

NASA Astrophysics Data System (ADS)

Minier, Jean-Pierre; Chibbaro, Sergio; Pope, Stephen B.

2014-11-01

In this paper, we establish a set of criteria which are applied to discuss various formulations under which Lagrangian stochastic models can be found. These models are used for the simulation of fluid particles in single-phase turbulence as well as for the fluid seen by discrete particles in dispersed turbulent two-phase flows. The purpose of the present work is to provide guidelines, useful for experts and non-experts alike, which are shown to be helpful to clarify issues related to the form of Lagrangian stochastic models. A central issue is to put forward reliable requirements which must be met by Lagrangian stochastic models and a new element brought by the present analysis is to address the single- and two-phase flow situations from a unified point of view. For that purpose, we consider first the single-phase flow case and check whether models are fully consistent with the structure of the Reynolds-stress models. In the two-phase flow situation, coming up with clear-cut criteria is more difficult and the present choice is to require that the single-phase situation be well-retrieved in the fluid-limit case, elementary predictive abilities be respected and that some simple statistical features of homogeneous fluid turbulence be correctly reproduced. This analysis does not address the question of the relative predictive capacities of different models but concentrates on their formulation since advantages and disadvantages of different formulations are not always clear. Indeed, hidden in the changes from one structure to another are some possible pitfalls which can lead to flaws in the construction of practical models and to physically unsound numerical calculations. A first interest of the present approach is illustrated by considering some models proposed in the literature and by showing that these criteria help to assess whether these Lagrangian stochastic models can be regarded as acceptable descriptions. A second interest is to indicate how future developments can be safely built, which is also relevant for stochastic subgrid models for particle-laden flows in the context of Large Eddy Simulations.
Guidelines for the formulation of Lagrangian stochastic models for particle simulations of single-phase and dispersed two-phase turbulent flows

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

Minier, Jean-Pierre, E-mail: Jean-Pierre.Minier@edf.fr; Chibbaro, Sergio; Pope, Stephen B.

In this paper, we establish a set of criteria which are applied to discuss various formulations under which Lagrangian stochastic models can be found. These models are used for the simulation of fluid particles in single-phase turbulence as well as for the fluid seen by discrete particles in dispersed turbulent two-phase flows. The purpose of the present work is to provide guidelines, useful for experts and non-experts alike, which are shown to be helpful to clarify issues related to the form of Lagrangian stochastic models. A central issue is to put forward reliable requirements which must be met by Lagrangianmore » stochastic models and a new element brought by the present analysis is to address the single- and two-phase flow situations from a unified point of view. For that purpose, we consider first the single-phase flow case and check whether models are fully consistent with the structure of the Reynolds-stress models. In the two-phase flow situation, coming up with clear-cut criteria is more difficult and the present choice is to require that the single-phase situation be well-retrieved in the fluid-limit case, elementary predictive abilities be respected and that some simple statistical features of homogeneous fluid turbulence be correctly reproduced. This analysis does not address the question of the relative predictive capacities of different models but concentrates on their formulation since advantages and disadvantages of different formulations are not always clear. Indeed, hidden in the changes from one structure to another are some possible pitfalls which can lead to flaws in the construction of practical models and to physically unsound numerical calculations. A first interest of the present approach is illustrated by considering some models proposed in the literature and by showing that these criteria help to assess whether these Lagrangian stochastic models can be regarded as acceptable descriptions. A second interest is to indicate how future developments can be safely built, which is also relevant for stochastic subgrid models for particle-laden flows in the context of Large Eddy Simulations.« less
Single-phase power distribution system power flow and fault analysis

NASA Technical Reports Server (NTRS)

Halpin, S. M.; Grigsby, L. L.

1992-01-01

Alternative methods for power flow and fault analysis of single-phase distribution systems are presented. The algorithms for both power flow and fault analysis utilize a generalized approach to network modeling. The generalized admittance matrix, formed using elements of linear graph theory, is an accurate network model for all possible single-phase network configurations. Unlike the standard nodal admittance matrix formulation algorithms, the generalized approach uses generalized component models for the transmission line and transformer. The standard assumption of a common node voltage reference point is not required to construct the generalized admittance matrix. Therefore, truly accurate simulation results can be obtained for networks that cannot be modeled using traditional techniques.
Model predictive direct power control for active power decoupled single-phase quasi- Z -source inverter

DOE PAGES

Liu, Yushan; Ge, Baoming; Abu-Rub, Haitham; ...

2016-06-14

In this study, the active power filter (APF) that consists of a half-bridge leg and an ac capacitor is integrated in the single-phase quasi-Z-source inverter (qZSI) in this paper to avoid the second harmonic power flowing into the dc side. The capacitor of APF buffers the second harmonic power of the load, and the ac capacitor allows highly pulsating ac voltage, so that the capacitances of both dc and ac sides can be small. A model predictive direct power control (DPC) is further proposed to achieve the purpose of this newtopology through predicting the capacitor voltage of APF at eachmore » sampling period and ensuring the APF power to track the second harmonic power of single-phase qZSI. Simulation and experimental results verify the model predictive DPC for the APF-integrated single-phase qZSI.« less
Model predictive direct power control for active power decoupled single-phase quasi- Z -source inverter

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

Liu, Yushan; Ge, Baoming; Abu-Rub, Haitham

In this study, the active power filter (APF) that consists of a half-bridge leg and an ac capacitor is integrated in the single-phase quasi-Z-source inverter (qZSI) in this paper to avoid the second harmonic power flowing into the dc side. The capacitor of APF buffers the second harmonic power of the load, and the ac capacitor allows highly pulsating ac voltage, so that the capacitances of both dc and ac sides can be small. A model predictive direct power control (DPC) is further proposed to achieve the purpose of this newtopology through predicting the capacitor voltage of APF at eachmore » sampling period and ensuring the APF power to track the second harmonic power of single-phase qZSI. Simulation and experimental results verify the model predictive DPC for the APF-integrated single-phase qZSI.« less
Single particle analysis based on Zernike phase contrast transmission electron microscopy.

PubMed

Danev, Radostin; Nagayama, Kuniaki

2008-02-01

We present the first application of Zernike phase-contrast transmission electron microscopy to single-particle 3D reconstruction of a protein, using GroEL chaperonin as the test specimen. We evaluated the performance of the technique by comparing 3D models derived from Zernike phase contrast imaging, with models from conventional underfocus phase contrast imaging. The same resolution, about 12A, was achieved by both imaging methods. The reconstruction based on Zernike phase contrast data required about 30% fewer particles. The advantages and prospects of each technique are discussed.
Modeling Bi-modality Improves Characterization of Cell Cycle on Gene Expression in Single Cells

PubMed Central

Danaher, Patrick; Finak, Greg; Krouse, Michael; Wang, Alice; Webster, Philippa; Beechem, Joseph; Gottardo, Raphael

2014-01-01

Advances in high-throughput, single cell gene expression are allowing interrogation of cell heterogeneity. However, there is concern that the cell cycle phase of a cell might bias characterizations of gene expression at the single-cell level. We assess the effect of cell cycle phase on gene expression in single cells by measuring 333 genes in 930 cells across three phases and three cell lines. We determine each cell's phase non-invasively without chemical arrest and use it as a covariate in tests of differential expression. We observe bi-modal gene expression, a previously-described phenomenon, wherein the expression of otherwise abundant genes is either strongly positive, or undetectable within individual cells. This bi-modality is likely both biologically and technically driven. Irrespective of its source, we show that it should be modeled to draw accurate inferences from single cell expression experiments. To this end, we propose a semi-continuous modeling framework based on the generalized linear model, and use it to characterize genes with consistent cell cycle effects across three cell lines. Our new computational framework improves the detection of previously characterized cell-cycle genes compared to approaches that do not account for the bi-modality of single-cell data. We use our semi-continuous modelling framework to estimate single cell gene co-expression networks. These networks suggest that in addition to having phase-dependent shifts in expression (when averaged over many cells), some, but not all, canonical cell cycle genes tend to be co-expressed in groups in single cells. We estimate the amount of single cell expression variability attributable to the cell cycle. We find that the cell cycle explains only 5%–17% of expression variability, suggesting that the cell cycle will not tend to be a large nuisance factor in analysis of the single cell transcriptome. PMID:25032992
Accurate modelling of single-particle cryo-EM images quantifies the benefits expected from using Zernike phase contrast

PubMed Central

Hall, R. J.; Nogales, E.; Glaeser, R. M.

2011-01-01

The use of a Zernike-type phase plate in biological cryo-electron microscopy allows the imaging, without using defocus, of what are predominantly phase objects. It is thought that such phase-plate implementations might result in higher quality images, free from the problems of CTF correction that occur when images must be recorded at extremely high values of defocus. In single-particle cryo-electron microscopy it is hoped that these improvements in image quality will facilitate work on structures that have proved difficult to study, either because of their relatively small size or because the structures are not completely homogeneous. There is still a need, however, to quantify how much improvement can be gained by using a phase plate for single-particle cryo-electron microscopy. We present a method for quantitatively modelling the images recorded with 200 keV electrons, for single particles embedded in vitreous ice. We then investigate what difference the use of a phase-plate device could have on the processing of single-particle data. We confirm that using a phase plate results in single-particle datasets in which smaller molecules can be detected, particles can be more accurately aligned and problems of heterogeneity can be more easily addressed. PMID:21463690
Fuel Injector: Air swirl characterization aerothermal modeling, phase 2, volume 2

NASA Technical Reports Server (NTRS)

Nikjooy, M.; Mongia, H. C.; Mcdonell, V. G.; Samuelson, G. S.

1993-01-01

A well integrated experimental/analytical investigation was conducted to provide benchmark quality data relevant to prefilming type airblast fuel nozzle and its interaction with combustor dome air swirler. The experimental investigation included a systematic study of both single-phase flows that involved single and twin co-axial jets with and without swirl. A two-component Phase Doppler Particle Analyzer (PDPA) equipment was used to document the interaction of single and co-axial air jets with glass beads that simulate nonevaporating spray and simultaneously avoid the complexities associated with fuel atomization processes and attendant issues about the specification of relevant boundary conditions. The interaction of jets with methanol spray produced by practical airblast nozzle was also documented in the spatial domain of practical interest. Model assessment activities included the use of three turbulence models (k-epsilon, algebraic second moment (ASM) and differential second moment (DSM)) for the carrier phase, deterministic or stochastic Lagrangian treatment of the dispersed phase, and advanced numerical schemes. Although qualitatively good comparison with data was obtained for most of the cases investigated, the model deficiencies in regard to modeled dissipation rate transport equation, single length scale, pressure-strain correlation, and other critical closure issues need to be resolved before one can achieve the degree of accuracy required to analytically design combustion systems.
Fuel injector: Air swirl characterization aerothermal modeling, phase 2, volume 1

NASA Technical Reports Server (NTRS)

Nikjooy, M.; Mongia, H. C.; Mcdonell, V. G.; Samuelsen, G. S.

1993-01-01

A well integrated experimental/analytical investigation was conducted to provide benchmark quality relevant to a prefilming type airblast fuel nozzle and its interaction with the combustor dome air swirler. The experimental investigation included a systematic study of both single-phase flows that involved single and twin co-axial jets with and without swirl. A two-component Phase Doppler Particle Analyzer (PDPA) was used to document the interaction of single and co-axial air jets with glass beads that simulate nonevaporating spray and simultaneously avoid the complexities associated with fuel atomization processes and attendant issues about the specification of relevant boundary conditions. The interaction of jets with methanol spray produced by practical airblast nozzle was also documented in the spatial domain of practical interest. Model assessment activities included the use of three turbulence models (k-epsilon, algebraic second moment (ASM), and differential second moment (DSM)) for the carrier phase, deterministic or stochastic Lagrangian treatment of the dispersed phase, and advanced numerical schemes. Although qualitatively good comparison with data was obtained for most of the cases investigated, the model deficiencies in regard to modeled dissipation rate transport equation, single length scale, pressure-strain correlation, and other critical closure issues need to be resolved before one can achieve the degree of accuracy required to analytically design combustion systems.
Ashkin-Teller criticality and weak first-order behavior of the phase transition to a fourfold degenerate state in two-dimensional frustrated Ising antiferromagnets

NASA Astrophysics Data System (ADS)

Liu, R. M.; Zhuo, W. Z.; Chen, J.; Qin, M. H.; Zeng, M.; Lu, X. B.; Gao, X. S.; Liu, J.-M.

2017-07-01

We study the thermal phase transition of the fourfold degenerate phases (the plaquette and single-stripe states) in the two-dimensional frustrated Ising model on the Shastry-Sutherland lattice using Monte Carlo simulations. The critical Ashkin-Teller-like behavior is identified both in the plaquette phase region and the single-stripe phase region. The four-state Potts critical end points differentiating the continuous transitions from the first-order ones are estimated based on finite-size-scaling analyses. Furthermore, a similar behavior of the transition to the fourfold single-stripe phase is also observed in the anisotropic triangular Ising model. Thus, this work clearly demonstrates that the transitions to the fourfold degenerate states of two-dimensional Ising antiferromagnets exhibit similar transition behavior.

Application of First Principles Model to Spacecraft Operations

NASA Technical Reports Server (NTRS)

Timmerman, Paul; Bugga, Ratnakumar; DiStefano, Salvidor

1996-01-01

Previous models use a single phase reaction; cycled cell predicts cannot be met with a single phase; interphase conversion provides means for film aging; aging cells predictions display typical behaviors: pressure changes in NiH² cells; voltage fading upon cycling; second plateau on discharge of cycled cells; negative limited behavior for Ni-Cds.
A Riemann solver for single-phase and two-phase shallow flow models based on relaxation. Relations with Roe and VFRoe solvers

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

Pelanti, Marica, E-mail: Marica.Pelanti@ens.f; Bouchut, Francois, E-mail: francois.bouchut@univ-mlv.f; Mangeney, Anne, E-mail: mangeney@ipgp.jussieu.f

2011-02-01

We present a Riemann solver derived by a relaxation technique for classical single-phase shallow flow equations and for a two-phase shallow flow model describing a mixture of solid granular material and fluid. Our primary interest is the numerical approximation of this two-phase solid/fluid model, whose complexity poses numerical difficulties that cannot be efficiently addressed by existing solvers. In particular, we are concerned with ensuring a robust treatment of dry bed states. The relaxation system used by the proposed solver is formulated by introducing auxiliary variables that replace the momenta in the spatial gradients of the original model systems. The resultingmore » relaxation solver is related to Roe solver in that its Riemann solution for the flow height and relaxation variables is formally computed as Roe's Riemann solution. The relaxation solver has the advantage of a certain degree of freedom in the specification of the wave structure through the choice of the relaxation parameters. This flexibility can be exploited to handle robustly vacuum states, which is a well known difficulty of standard Roe's method, while maintaining Roe's low diffusivity. For the single-phase model positivity of flow height is rigorously preserved. For the two-phase model positivity of volume fractions in general is not ensured, and a suitable restriction on the CFL number might be needed. Nonetheless, numerical experiments suggest that the proposed two-phase flow solver efficiently models wet/dry fronts and vacuum formation for a large range of flow conditions. As a corollary of our study, we show that for single-phase shallow flow equations the relaxation solver is formally equivalent to the VFRoe solver with conservative variables of Gallouet and Masella [T. Gallouet, J.-M. Masella, Un schema de Godunov approche C.R. Acad. Sci. Paris, Serie I, 323 (1996) 77-84]. The relaxation interpretation allows establishing positivity conditions for this VFRoe method.« less
Field-circuit analysis and measurements of a single-phase self-excited induction generator

NASA Astrophysics Data System (ADS)

Makowski, Krzysztof; Leicht, Aleksander

2017-12-01

The paper deals with a single-phase induction machine operating as a stand-alone self-excited single-phase induction generator for generation of electrical energy from renewable energy sources. By changing number of turns and size of wires in the auxiliary stator winding, an improvement of performance characteristics of the generator were obtained as regards no-load and load voltage of the stator windings as well as stator winding currents of the generator. Field-circuit simulation models of the generator were developed using Flux2D software package for the generator with shunt capacitor in the main stator winding. The obtained results have been validated experimentally at the laboratory setup using the single-phase capacitor induction motor of 1.1 kW rated power and 230 V voltage as a base model of the generator.
A High-Rate, Single-Crystal Model including Phase Transformations, Plastic Slip, and Twinning

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

Addessio, Francis L.; Bronkhorst, Curt Allan; Bolme, Cynthia Anne

2016-08-09

An anisotropic, rate-dependent, single-crystal approach for modeling materials under the conditions of high strain rates and pressures is provided. The model includes the effects of large deformations, nonlinear elasticity, phase transformations, and plastic slip and twinning. It is envisioned that the model may be used to examine these coupled effects on the local deformation of materials that are subjected to ballistic impact or explosive loading. The model is formulated using a multiplicative decomposition of the deformation gradient. A plate impact experiment on a multi-crystal sample of titanium was conducted. The particle velocities at the back surface of three crystal orientationsmore » relative to the direction of impact were measured. Molecular dynamics simulations were conducted to investigate the details of the high-rate deformation and pursue issues related to the phase transformation for titanium. Simulations using the single crystal model were conducted and compared to the high-rate experimental data for the impact loaded single crystals. The model was found to capture the features of the experiments.« less
Phase reconstruction using compressive two-step parallel phase-shifting digital holography

NASA Astrophysics Data System (ADS)

Ramachandran, Prakash; Alex, Zachariah C.; Nelleri, Anith

2018-04-01

The linear relationship between the sample complex object wave and its approximated complex Fresnel field obtained using single shot parallel phase-shifting digital holograms (PPSDH) is used in compressive sensing framework and an accurate phase reconstruction is demonstrated. It is shown that the accuracy of phase reconstruction of this method is better than that of compressive sensing adapted single exposure inline holography (SEOL) method. It is derived that the measurement model of PPSDH method retains both the real and imaginary parts of the Fresnel field but with an approximation noise and the measurement model of SEOL retains only the real part exactly equal to the real part of the complex Fresnel field and its imaginary part is completely not available. Numerical simulation is performed for CS adapted PPSDH and CS adapted SEOL and it is demonstrated that the phase reconstruction is accurate for CS adapted PPSDH and can be used for single shot digital holographic reconstruction.
M-type potassium conductance controls the emergence of neural phase codes: a combined experimental and neuron modelling study

PubMed Central

Kwag, Jeehyun; Jang, Hyun Jae; Kim, Mincheol; Lee, Sujeong

2014-01-01

Rate and phase codes are believed to be important in neural information processing. Hippocampal place cells provide a good example where both coding schemes coexist during spatial information processing. Spike rate increases in the place field, whereas spike phase precesses relative to the ongoing theta oscillation. However, what intrinsic mechanism allows for a single neuron to generate spike output patterns that contain both neural codes is unknown. Using dynamic clamp, we simulate an in vivo-like subthreshold dynamics of place cells to in vitro CA1 pyramidal neurons to establish an in vitro model of spike phase precession. Using this in vitro model, we show that membrane potential oscillation (MPO) dynamics is important in the emergence of spike phase codes: blocking the slowly activating, non-inactivating K+ current (IM), which is known to control subthreshold MPO, disrupts MPO and abolishes spike phase precession. We verify the importance of adaptive IM in the generation of phase codes using both an adaptive integrate-and-fire and a Hodgkin–Huxley (HH) neuron model. Especially, using the HH model, we further show that it is the perisomatically located IM with slow activation kinetics that is crucial for the generation of phase codes. These results suggest an important functional role of IM in single neuron computation, where IM serves as an intrinsic mechanism allowing for dual rate and phase coding in single neurons. PMID:25100320
Single-phase helium recooling in a Tevatron spool piece

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

Klebaner, A.L.

2000-01-27

Plans call for upgrading existing Tevatron spool pieces by adding a single-phase to two-phase heat exchanger or recooler. This will enhance the single-phase to two-phase heat transfer and, along with other upgrades, allow for higher energy beam in the upcoming run. The performance of the heat exchanger was predicted numerically using a multi-node finite difference model. One Tevatron spool piece was modified to incorporate the recooler. Performance tests were conducted on this modified spool at the Magnet Test Facility within Technical Division in March and April 1999. The present paper reviews the design of the Tevatron spool recooler. The discussionmore » includes: a technical description of a Tevatron spool; the heat exchanger mathematical model; design criteria and constraints; fabrication and assembly procedure; tests and performance analysis.« less
Crystal viscoplasticity model for the creep-fatigue interactions in single-crystal Ni-base superalloy CMSX-8

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

Estrada Rodas, Ernesto A.; Neu, Richard W.

A crystal viscoplasticity (CVP) model for the creep-fatigue interactions of nickel-base superalloy CMSX-8 is proposed. At the microstructure scale of relevance, the superalloys are a composite material comprised of a γ phase and a γ' strengthening phase with unique deformation mechanisms that are highly dependent on temperature. Considering the differences in the deformation of the individual material phases is paramount to predicting the deformation behavior of superalloys at a wide range of temperatures. In this work, we account for the relevant deformation mechanisms that take place in both material phases by utilizing two additive strain rates to model the deformationmore » on each material phase. The model is capable of representing the creep-fatigue interactions in single-crystal superalloys for realistic 3-dimensional components in an Abaqus User Material Subroutine (UMAT). Using a set of material parameters calibrated to superalloy CMSX-8, the model predicts creep-fatigue, fatigue and thermomechanical fatigue behavior of this single-crystal superalloy. In conclusion, a sensitivity study of the material parameters is done to explore the effect on the deformation due to changes in the material parameters relevant to the microstructure.« less
Crystal viscoplasticity model for the creep-fatigue interactions in single-crystal Ni-base superalloy CMSX-8

DOE PAGES

Estrada Rodas, Ernesto A.; Neu, Richard W.

2017-09-11

A crystal viscoplasticity (CVP) model for the creep-fatigue interactions of nickel-base superalloy CMSX-8 is proposed. At the microstructure scale of relevance, the superalloys are a composite material comprised of a γ phase and a γ' strengthening phase with unique deformation mechanisms that are highly dependent on temperature. Considering the differences in the deformation of the individual material phases is paramount to predicting the deformation behavior of superalloys at a wide range of temperatures. In this work, we account for the relevant deformation mechanisms that take place in both material phases by utilizing two additive strain rates to model the deformationmore » on each material phase. The model is capable of representing the creep-fatigue interactions in single-crystal superalloys for realistic 3-dimensional components in an Abaqus User Material Subroutine (UMAT). Using a set of material parameters calibrated to superalloy CMSX-8, the model predicts creep-fatigue, fatigue and thermomechanical fatigue behavior of this single-crystal superalloy. In conclusion, a sensitivity study of the material parameters is done to explore the effect on the deformation due to changes in the material parameters relevant to the microstructure.« less
Magnetic Correlations and Pairing in the 1/5-Depleted Square Lattice Hubbard Model

DOE PAGES

Khatemi, Ehsan; Singh, Rajiv R. P.; Pickett, Warren E.; ...

2014-09-04

We study the single-orbital Hubbard model on the 1/5-depleted square-lattice geometry, which arises in such diverse systems as the spin-gap magnetic insulator CaV 4O 9 and ordered-vacancy iron selenides, presenting new issues regarding the origin of both magnetic ordering and superconductivity in these materials. We find a rich phase diagram that includes a plaquette singlet phase, a dimer singlet phase, a Néel and a block-spin antiferromagnetic phase, and stripe phases. Quantum Monte Carlo simulations show that the dominant pairing correlations at half filling change character from d wave in the plaquette phase to extended s wave upon transition to themore » Néel phase. These findings have intriguing connections to iron-based superconductors, and suggest that some physics of multiorbital systems can be captured by a single-orbital model at different dopings.« less
A Military-Relevant Model of Closed Concussive Head Injury: Longitudinal Studies Characterizing and Validating Single and Repetitive mTBI

DTIC Science & Technology

2014-10-01

Research Program (CCCRP). Provided in this Year 2 Annual Report are the results of our Phase I studies focused on characterizing the neuropathologic...effects of a single concussive impact to repeated concussive impacts using the PCI model. Phase I studies have been completed and these results set...the foundation for Phase II studies designed to evaluate the effects of repeated concussions that occur prior to and after the resolution of the
Communication: phase transitions, criticality, and three-phase coexistence in constrained cell models.

PubMed

Nayhouse, Michael; Kwon, Joseph Sang-Il; Orkoulas, G

2012-05-28

In simulation studies of fluid-solid transitions, the solid phase is usually modeled as a constrained system in which each particle is confined to move in a single Wigner-Seitz cell. The constrained cell model has been used in the determination of fluid-solid coexistence via thermodynamic integration and other techniques. In the present work, the phase diagram of such a constrained system of Lennard-Jones particles is determined from constant-pressure simulations. The pressure-density isotherms exhibit inflection points which are interpreted as the mechanical stability limit of the solid phase. The phase diagram of the constrained system contains a critical and a triple point. The temperature and pressure at the critical and the triple point are both higher than those of the unconstrained system due to the reduction in the entropy caused by the single occupancy constraint.
Modelling a single phase voltage controlled rectifier using Laplace transforms

NASA Technical Reports Server (NTRS)

Kraft, L. Alan; Kankam, M. David

1992-01-01

The development of a 20 kHz, AC power system by NASA for large space projects has spurred a need to develop models for the equipment which will be used on these single phase systems. To date, models for the AC source (i.e., inverters) have been developed. It is the intent of this paper to develop a method to model the single phase voltage controlled rectifiers which will be attached to the AC power grid as an interface for connected loads. A modified version of EPRI's HARMFLO program is used as the shell for these models. The results obtained from the model developed in this paper are quite adequate for the analysis of problems such as voltage resonance. The unique technique presented in this paper uses the Laplace transforms to determine the harmonic content of the load current of the rectifier rather than a curve fitting technique. Laplace transforms yield the coefficient of the differential equations which model the line current to the rectifier directly.
Vacuum-induced Berry phases in single-mode Jaynes-Cummings models

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

Liu, Yu; Wei, L. F.; Jia, W. Z.

2010-10-15

Motivated by work [Phys. Rev. Lett. 89, 220404 (2002)] for detecting the vacuum-induced Berry phases with two-mode Jaynes-Cummings models (JCMs), we show here that, for a parameter-dependent single-mode JCM, certain atom-field states also acquired photon-number-dependent Berry phases after the parameter slowly changed and eventually returned to its initial value. This geometric effect related to the field quantization still exists, even if the field is kept in its vacuum state. Specifically, a feasible Ramsey interference experiment with a cavity quantum electrodynamics system is designed to detect the vacuum-induced Berry phase.
The modelling of heat, mass and solute transport in solidification systems

NASA Technical Reports Server (NTRS)

Voller, V. R.; Brent, A. D.; Prakash, C.

1989-01-01

The aim of this paper is to explore the range of possible one-phase models of binary alloy solidification. Starting from a general two-phase description, based on the two-fluid model, three limiting cases are identified which result in one-phase models of binary systems. Each of these models can be readily implemented in standard single phase flow numerical codes. Differences between predictions from these models are examined. In particular, the effects of the models on the predicted macro-segregation patterns are evaluated.
Phase-locking of bursting neuronal firing to dominant LFP frequency components.

PubMed

Constantinou, Maria; Elijah, Daniel H; Squirrell, Daniel; Gigg, John; Montemurro, Marcelo A

2015-10-01

Neuronal firing in the hippocampal formation relative to the phase of local field potentials (LFP) has a key role in memory processing and spatial navigation. Firing can be in either tonic or burst mode. Although bursting neurons are common in the hippocampal formation, the characteristics of their locking to LFP phase are not completely understood. We investigated phase-locking properties of bursting neurons using simulations generated by a dual compartmental model of a pyramidal neuron adapted to match the bursting activity in the subiculum of a rat. The model was driven with stochastic input signals containing a power spectral profile consistent with physiologically relevant frequencies observed in LFP. The single spikes and spike bursts fired by the model were locked to a preferred phase of the predominant frequency band where there was a peak in the power of the driving signal. Moreover, the preferred phase of locking shifted with increasing burst size, providing evidence that LFP phase can be encoded by burst size. We also provide initial support for the model results by analysing example data of spontaneous LFP and spiking activity recorded from the subiculum of a single urethane-anaesthetised rat. Subicular neurons fired single spikes, two-spike bursts and larger bursts that locked to a preferred phase of either dominant slow oscillations or theta rhythms within the LFP, according to the model prediction. Both power-modulated phase-locking and gradual shift in the preferred phase of locking as a function of burst size suggest that neurons can use bursts to encode timing information contained in LFP phase into a spike-count code. Copyright © 2015 The Authors. Published by Elsevier Ireland Ltd.. All rights reserved.
Phase demodulation from a single fringe pattern based on a correlation technique.

PubMed

Robin, Eric; Valle, Valéry

2004-08-01

We present a method for determining the demodulated phase from a single fringe pattern. This method, based on a correlation technique, searches in a zone of interest for the degree of similarity between a real fringe pattern and a mathematical model. This method, named modulated phase correlation, is tested with different examples.
Modelling Assisted Design and Synthesis of Highly Porous Materials for Chemical Adsorbents

DTIC Science & Technology

2010-10-01

two phases of crystal, a monoclinic phase within the solution, and after removal from solution a trigonal phase is obtained. The single crystal...days. Single crystal X-ray data showed there existed a monoclinic phase within the solution that, upon removal from solution, rapidly converted to a... monoclinic to trigonal upon desolvation, as the new peak which has emerged matches the simulated PXRD of the trigonal phase. Also, as the sample is
Single-Photon-Triggered Quantum Phase Transition

NASA Astrophysics Data System (ADS)

Lü, Xin-You; Zheng, Li-Li; Zhu, Gui-Lei; Wu, Ying

2018-06-01

We propose a hybrid quantum model combining cavity QED and optomechanics, which allows the occurrence of an equilibrium superradiant quantum phase transition (QPT) triggered by a single photon. This single-photon-triggered QPT exists in the cases of both ignoring and including the so-called A2 term; i.e., it is immune to the no-go theorem. It originally comes from the photon-dependent quantum criticality featured by the proposed hybrid quantum model. Moreover, a reversed superradiant QPT is induced by the competition between the introduced A2 term and the optomechanical interaction. This work offers an approach to manipulate QPT with a single photon, which should inspire the exploration of single-photon quantum-criticality physics and the engineering of new single-photon quantum devices.
Simulating mixed-phase Arctic stratus clouds: sensitivity to ice initiation mechanisms

NASA Astrophysics Data System (ADS)

Sednev, I.; Menon, S.; McFarquhar, G.

2008-06-01

The importance of Arctic mixed-phase clouds on radiation and the Arctic climate is well known. However, the development of mixed-phase cloud parameterization for use in large scale models is limited by lack of both related observations and numerical studies using multidimensional models with advanced microphysics that provide the basis for understanding the relative importance of different microphysical processes that take place in mixed-phase clouds. To improve the representation of mixed-phase cloud processes in the GISS GCM we use the GISS single-column model coupled to a bin resolved microphysics (BRM) scheme that was specially designed to simulate mixed-phase clouds and aerosol-cloud interactions. Using this model with the microphysical measurements obtained from the DOE ARM Mixed-Phase Arctic Cloud Experiment (MPACE) campaign in October 2004 at the North Slope of Alaska, we investigate the effect of ice initiation processes and Bergeron-Findeisen process (BFP) on glaciation time and longevity of single-layer stratiform mixed-phase clouds. We focus on observations taken during 9th-10th October, which indicated the presence of a single-layer mixed-phase clouds. We performed several sets of 12-h simulations to examine model sensitivity to different ice initiation mechanisms and evaluate model output (hydrometeors' concentrations, contents, effective radii, precipitation fluxes, and radar reflectivity) against measurements from the MPACE Intensive Observing Period. Overall, the model qualitatively simulates ice crystal concentration and hydrometeors content, but it fails to predict quantitatively the effective radii of ice particles and their vertical profiles. In particular, the ice effective radii are overestimated by at least 50%. However, using the same definition as used for observations, the effective radii simulated and that observed were more comparable. We find that for the single-layer stratiform mixed-phase clouds simulated, process of ice phase initiation due to freezing of supercooled water in both saturated and undersaturated (w.r.t. water) environments is as important as primary ice crystal origination from water vapor. We also find that the BFP is a process mainly responsible for the rates of glaciation of simulated clouds. These glaciation rates cannot be adequately represented by a water-ice saturation adjustment scheme that only depends on temperature and liquid and solid hydrometeors' contents as is widely used in bulk microphysics schemes and are better represented by processes that also account for supersaturation changes as the hydrometeors grow.

Simulating mixed-phase Arctic stratus clouds: sensitivity to ice initiation mechanisms

NASA Astrophysics Data System (ADS)

Sednev, I.; Menon, S.; McFarquhar, G.

2009-07-01

The importance of Arctic mixed-phase clouds on radiation and the Arctic climate is well known. However, the development of mixed-phase cloud parameterization for use in large scale models is limited by lack of both related observations and numerical studies using multidimensional models with advanced microphysics that provide the basis for understanding the relative importance of different microphysical processes that take place in mixed-phase clouds. To improve the representation of mixed-phase cloud processes in the GISS GCM we use the GISS single-column model coupled to a bin resolved microphysics (BRM) scheme that was specially designed to simulate mixed-phase clouds and aerosol-cloud interactions. Using this model with the microphysical measurements obtained from the DOE ARM Mixed-Phase Arctic Cloud Experiment (MPACE) campaign in October 2004 at the North Slope of Alaska, we investigate the effect of ice initiation processes and Bergeron-Findeisen process (BFP) on glaciation time and longevity of single-layer stratiform mixed-phase clouds. We focus on observations taken during 9-10 October, which indicated the presence of a single-layer mixed-phase clouds. We performed several sets of 12-h simulations to examine model sensitivity to different ice initiation mechanisms and evaluate model output (hydrometeors' concentrations, contents, effective radii, precipitation fluxes, and radar reflectivity) against measurements from the MPACE Intensive Observing Period. Overall, the model qualitatively simulates ice crystal concentration and hydrometeors content, but it fails to predict quantitatively the effective radii of ice particles and their vertical profiles. In particular, the ice effective radii are overestimated by at least 50%. However, using the same definition as used for observations, the effective radii simulated and that observed were more comparable. We find that for the single-layer stratiform mixed-phase clouds simulated, process of ice phase initiation due to freezing of supercooled water in both saturated and subsaturated (w.r.t. water) environments is as important as primary ice crystal origination from water vapor. We also find that the BFP is a process mainly responsible for the rates of glaciation of simulated clouds. These glaciation rates cannot be adequately represented by a water-ice saturation adjustment scheme that only depends on temperature and liquid and solid hydrometeors' contents as is widely used in bulk microphysics schemes and are better represented by processes that also account for supersaturation changes as the hydrometeors grow.
A Two-length Scale Turbulence Model for Single-phase Multi-fluid Mixing

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

Schwarzkopf, J. D.; Livescu, D.; Baltzer, J. R.

2015-09-08

A two-length scale, second moment turbulence model (Reynolds averaged Navier-Stokes, RANS) is proposed to capture a wide variety of single-phase flows, spanning from incompressible flows with single fluids and mixtures of different density fluids (variable density flows) to flows over shock waves. The two-length scale model was developed to address an inconsistency present in the single-length scale models, e.g. the inability to match both variable density homogeneous Rayleigh-Taylor turbulence and Rayleigh-Taylor induced turbulence, as well as the inability to match both homogeneous shear and free shear flows. The two-length scale model focuses on separating the decay and transport length scales,more » as the two physical processes are generally different in inhomogeneous turbulence. This allows reasonable comparisons with statistics and spreading rates over such a wide range of turbulent flows using a common set of model coefficients. The specific canonical flows considered for calibrating the model include homogeneous shear, single-phase incompressible shear driven turbulence, variable density homogeneous Rayleigh-Taylor turbulence, Rayleigh-Taylor induced turbulence, and shocked isotropic turbulence. The second moment model shows to compare reasonably well with direct numerical simulations (DNS), experiments, and theory in most cases. The model was then applied to variable density shear layer and shock tube data and shows to be in reasonable agreement with DNS and experiments. Additionally, the importance of using DNS to calibrate and assess RANS type turbulence models is highlighted.« less
Cesium vacancy ordering in phase-separated C s x F e 2 - y S e 2

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

Taddei, K. M.; Sturza, M.; Chung, D. Y.

2015-09-01

By simultaneously displaying magnetism and superconductivity in a single phase, the iron based superconductors provide a model system for the study of magnetism’s role in superconductivity. The class of intercalated iron selenide superconductors is unique amongst these in having the additional property of phase separation and coexistence of two distinct phases - one majority phase with iron vacancy ordering and strong antiferromagnetism and the other a poorly understood minority microscopic phase with a contested structure. Adding to the intrigue, the majority phase has never been found to show superconductivity on its own while the minority phase has never been successfullymore » synthesized separate from the majority phase. In order to better understand this minority phase, a series of high quality CsxFe2-ySe2 single crystals with (0.8 ≤ x ≤ 1; 0 ≤ y ≤ 0.3) were grown and studied. Neutron and x-ray powder diffraction performed on ground crystals show the average structure of the minority phase to be I4/mmm, however, the temperature evolution of its lattice parameters shows it to be distinct from the high temperature I4/mmm parent structure. Neutron and x-ray diffraction experiments performed on single crystal samples reveal the presence of previously unobserved discrete superlattice reflections that remove the degeneracy of the Cs sites in both the majority and minority phases and reduce their structural symmetries from body-centered to primitive. Group theoretical analysis in conjunction with structural modeling shows that the observed superlattice reflections originate from a three-dimensional Cs vacancy ordering in the minority phase. This model predicts a 25% vacancy of the Cs site which is consistent with the site’s refined occupancy. Magnetization measurements performed in tandem with neutron single crystal diffraction provide evidence that the minority phase is the host of superconductivity. Our results also reveal a superconducting dome in which the superconducting transition temperature varies as a function of the valence of iron.« less
Thermal-hydrodynamic-chemical (THC) modeling based on geothermal field data

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

Kiryukhin, Alexey; Xu, Tianfu; Pruess, Karsten

Data on fluid chemistry and rock mineralogy are evaluated for a number of geothermal fields located in the volcanic arc of Japan and Kamchatka, Russia, Common chemical characteristics are identified and used to define scenarios for detailed numerical modeling of coupled thermal hydrodynamic chemical (THC) processes. The following scenarios of parental geothermal fluid upflow were studied: (1) single-phase conditions, 260 C at the bottom ( Ogiri type); (2) two-phase conditions, 300 C at the bottom ( Hatchobaru type); and (3) heat pipe conditions, 260 C at the bottom ( Matsukawa type). THC modeling for the single-phase upflow scenario shows wairakite,more » quartz, K-feld spar and chlorite formed as the principal secondary minerals in the production zone, and illite-smectite formed below 230 C. THC modeling of the two-phase upflow shows that quartz, K-feldspar (microcline), wairakite and calcite precipitate in the model as principal secondary minerals in the production zone. THC modeling of heat pipe conditions shows no significant secondary deposition of minerals (quartz, K-feldspar, zeolites) in the production zone. The influence of thermodynamic and kinetic parameters of chemical interaction, and of mass fluxes on mineral phase changes, was found to be significant, depending on the upflow regime. It was found that no parental geothermal fluid inflow is needed for zeolite precipitation, which occurs above 140 C in saturated andesite, provided that the porosity is greater than 0.001. In contrast, quartz and K-feldspar precipitation may result in a significant porosity reduction over a hundred-year time scale under mass flux conditions, and complete fracture sealing will occur given sufficient time under either single-phase or two-phase upflow scenarios. A heat pipe scenario shows no significant porosity reduction due to lack of secondary mineral phase deposition.« less
A partially coupled, fraction-by-fraction modelling approach to the subsurface migration of gasoline spills

NASA Astrophysics Data System (ADS)

Fagerlund, F.; Niemi, A.

2007-01-01

The subsurface spreading behaviour of gasoline, as well as several other common soil- and groundwater pollutants (e.g. diesel, creosote), is complicated by the fact that it is a mixture of hundreds of different constituents, behaving differently with respect to e.g. dissolution, volatilisation, adsorption and biodegradation. Especially for scenarios where the non-aqueous phase liquid (NAPL) phase is highly mobile, such as for sudden spills in connection with accidents, it is necessary to simultaneously analyse the migration of the NAPL and its individual components in order to assess risks and environmental impacts. Although a few fully coupled, multi-phase, multi-constituent models exist, such models are highly complex and may be time consuming to use. A new, somewhat simplified methodology for modelling the subsurface migration of gasoline while taking its multi-constituent nature into account is therefore introduced here. Constituents with similar properties are grouped together into eight fractions. The migration of each fraction in the aqueous and gaseous phases as well as adsorption is modelled separately using a single-constituent multi-phase flow model, while the movement of the free-phase gasoline is essentially the same for all fractions. The modelling is done stepwise to allow updating of the free-phase gasoline composition at certain time intervals. The output is the concentration of the eight different fractions in the aqueous, gaseous, free gasoline and solid phases with time. The approach is evaluated by comparing it to a fully coupled multi-phase, multi-constituent numerical simulator in the modelling of a typical accident-type spill scenario, based on a tanker accident in northern Sweden. Here the PCFF method produces results similar to those of the more sophisticated, fully coupled model. The benefit of the method is that it is easy to use and can be applied to any single-constituent multi-phase numerical simulator, which in turn may have different strengths in incorporating various processes. The results demonstrate that the different fractions have significantly different migration behaviours and although the methodology involves some simplifications, it is a considerable improvement compared to modelling the gasoline constituents completely individually or as one single mixture.
Cesium vacancy ordering in phase-separated C s x F e 2 - y S e 2

DOE PAGES

Taddei, Keith M.; Sturza, M.; Chung, Duck -Yung; ...

2015-09-14

By simultaneously displaying magnetism and superconductivity in a single phase, the iron-based superconductors provide a model system for the study of magnetism's role in superconductivity. The class of intercalated iron selenide superconductors is unique among these in having the additional property of phase separation and coexistence of two distinct phases—one majority phase with iron vacancy ordering and strong antiferromagnetism, and the other a poorly understood minority microscopic phase with a contested structure. Adding to the intrigue, the majority phase has never been found to show superconductivity on its own while the minority phase has never been successfully synthesized separate frommore » the majority phase. In order to better understand this minority phase, a series of high-quality Cs xFe 2–ySe 2 single crystals with (0.8 ≤ x ≤ 1;0 ≤ y ≤ 0.3) were grown and studied. Neutron and x-ray powder diffraction performed on ground crystals show that the average I4/mmm structure of the minority phase is distinctly different from the high-temperature I4/mmm parent structure. Moreover, single-crystal diffraction reveals the presence of discrete superlattice reflections that remove the degeneracy of the Cs sites in both the majority and minority phases and reduce their structural symmetries from body centered to primitive. Group theoretical analysis in conjunction with structural modeling shows that the observed superlattice reflections originate from three-dimensional Cs vacancy ordering. This model predicts a 25% vacancy of the Cs site in the minority phase which is consistent with the site's refined occupancy. Magnetization measurements performed in tandem with neutron single-crystal diffraction provide evidence that the minority phase is the host of superconductivity. Lastly, our results also reveal a superconducting dome in which the superconducting transition temperature varies as a function of the nominal valence of iron.« less
Hybrid-dimensional modelling of two-phase flow through fractured porous media with enhanced matrix fracture transmission conditions

NASA Astrophysics Data System (ADS)

Brenner, Konstantin; Hennicker, Julian; Masson, Roland; Samier, Pierre

2018-03-01

In this work, we extend, to two-phase flow, the single-phase Darcy flow model proposed in [26], [12] in which the (d - 1)-dimensional flow in the fractures is coupled with the d-dimensional flow in the matrix. Three types of so called hybrid-dimensional two-phase Darcy flow models are proposed. They all account for fractures acting either as drains or as barriers, since they allow pressure jumps at the matrix-fracture interfaces. The models also permit to treat gravity dominated flow as well as discontinuous capillary pressure at the material interfaces. The three models differ by their transmission conditions at matrix fracture interfaces: while the first model accounts for the nonlinear two-phase Darcy flux conservations, the second and third ones are based on the linear single phase Darcy flux conservations combined with different approximations of the mobilities. We adapt the Vertex Approximate Gradient (VAG) scheme to this problem, in order to account for anisotropy and heterogeneity aspects as well as for applicability on general meshes. Several test cases are presented to compare our hybrid-dimensional models to the generic equi-dimensional model, in which fractures have the same dimension as the matrix, leading to deep insight about the quality of the proposed reduced models.
Influence of Al content on non-equilibrium solidification behavior of Ni-Al-Ta model single crystal alloys

NASA Astrophysics Data System (ADS)

Ai, Cheng; Zhou, Jian; Zhang, Heng; Zhao, Xinbao; Pei, Yanling; Li, Shusuo; Gong, Shengkai

2016-01-01

The non-equilibrium solidification behaviors of five Ni-Al-Ta ternary model single crystal alloys with different Al contents were investigated by experimental analysis and theoretical calculation (by JMatPro) in this study. These model alloys respectively represented the γ' phase with various volume fractions (100%, 75%, 50%, 25% and 0%) at 900 °C. It was found that with decreasing Al content, liquidus temperature of experimental alloys first decreased and then increased. Meanwhile, the solidification range showed a continued downward trend. In addition, with decreasing Al content, the primary phases of non-equilibrium solidified model alloys gradually transformed from γ' phase to γ phase, and the area fraction of which first decreased and then increased. Moreover, the interdendritic/intercellular precipitation of model alloys changed from β phase (for 100% γ') to (γ+γ')Eutectic (for 75% γ'), (γ+γ')Eutectic+γ' (for 50% γ' and 25% γ') and none interdendritic precipitation (for 0% γ'), and the last stage non-equilibrium solidification sequence of model alloys was determined by the nominal Al content and different microsegregation behaviors of Al element.
Thermal effects in two-phase flow through face seals. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Basu, Prithwish

1988-01-01

When liquid is sealed at high temperature, it flashes inside the seal due to pressure drop and/or viscous heat dissipation. Two-phase seals generally exhibit more erratic behavior than their single phase counterparts. Thermal effects, which are often neglected in single phase seal analyses, play an important role in determining seal behavior under two-phase operation. It is necessary to consider the heat generation due to viscous shear, conduction into the seal rings and convection with the leakage flow. Analytical models developed work reasonably well at the two extremes - for low leakage rates when convection is neglected and for higher leakage rates when conduction is neglected. A preliminary model, known as the Film Coefficient Model, is presented which considers conduction and convection both, and allows continuous boiling over an extended region unlike the previous low-leakage rate model which neglects convection and always forces a discrete boiling interface. Another simplified, semi-analytical model, based on the assumption of isothermal conditions along the seal interafce, has been developed for low leakage rates. The Film Coefficient Model may be used for more accurate and realistic description.
Numerical Study of Mixing Thermal Conductivity Models for Nanofluid Heat Transfer Enhancement

NASA Astrophysics Data System (ADS)

Pramuanjaroenkij, A.; Tongkratoke, A.; Kakaç, S.

2018-01-01

Researchers have paid attention to nanofluid applications, since nanofluids have revealed their potentials as working fluids in many thermal systems. Numerical studies of convective heat transfer in nanofluids can be based on considering them as single- and two-phase fluids. This work is focused on improving the single-phase nanofluid model performance, since the employment of this model requires less calculation time and it is less complicated due to utilizing the mixing thermal conductivity model, which combines static and dynamic parts used in the simulation domain alternately. The in-house numerical program has been developed to analyze the effects of the grid nodes, effective viscosity model, boundary-layer thickness, and of the mixing thermal conductivity model on the nanofluid heat transfer enhancement. CuO-water, Al2O3-water, and Cu-water nanofluids are chosen, and their laminar fully developed flows through a rectangular channel are considered. The influence of the effective viscosity model on the nanofluid heat transfer enhancement is estimated through the average differences between the numerical and experimental results for the nanofluids mentioned. The nanofluid heat transfer enhancement results show that the mixing thermal conductivity model consisting of the Maxwell model as the static part and the Yu and Choi model as the dynamic part, being applied to all three nanofluids, brings the numerical results closer to the experimental ones. The average differences between those results for CuO-water, Al2O3-water, and CuO-water nanofluid flows are 3.25, 2.74, and 3.02%, respectively. The mixing thermal conductivity model has been proved to increase the accuracy of the single-phase nanofluid simulation and to reveal its potentials in the single-phase nanofluid numerical studies.
Investigating Stage-Sequential Growth Mixture Models with Multiphase Longitudinal Data

ERIC Educational Resources Information Center

Kim, Su-Young; Kim, Jee-Seon

2012-01-01

This article investigates three types of stage-sequential growth mixture models in the structural equation modeling framework for the analysis of multiple-phase longitudinal data. These models can be important tools for situations in which a single-phase growth mixture model produces distorted results and can allow researchers to better understand…
Understanding Single Adulthood.

ERIC Educational Resources Information Center

Stein, Peter J.

The life styles and life chances of the unmarried include elements of choices. Singles may be grouped and characterized according to whether their status may be considered stable or temporary. A life cycle, or continuum model of singlehood is reviewed, including its different factors, or phases. A new model for singles is proposed--a life spiral…
Experimental Investigation of two-phase nitrogen Cryo transfer line

NASA Astrophysics Data System (ADS)

Singh, G. K.; Nimavat, H.; Panchal, R.; Garg, A.; Srikanth, GLN; Patel, K.; Shah, P.; Tanna, V. L.; Pradhan, S.

2017-02-01

A 6-m long liquid nitrogen based cryo transfer line has been designed, developed and tested at IPR. The test objectives include the thermo-hydraulic characteristics of Cryo transfer line under single phase as well as two phase flow conditions. It is always easy in experimentation to investigate the thermo-hydraulic parameters in case of single phase flow of cryogen but it is real challenge when one deals with the two phase flow of cryogen due to availibity of mass flow measurements (direct) under two phase flow conditions. Established models have been reported in the literature where one of the well-known model of Lockhart-Martenelli relationship has been used to determine the value of quality at the outlet of Cryo transfer line. Under homogenous flow conditions, by taking the ratio of the single-phase pressure drop and the two-phase pressure drop, we estimated the quality at the outlet. Based on these equations, vapor quality at the outlet of the transfer line was predicted at different heat loads. Experimental rresults shown that from inlet to outlet, there is a considerable increment in the pressure drop and vapour quality of the outlet depending upon heat load and mass flow rate of nitrogen flowing through the line.
A study of nonlinear dynamics of single- and two-phase flow oscillations

NASA Astrophysics Data System (ADS)

Mawasha, Phetolo Ruby

The dynamics of single- and two-phase flows in channels can be contingent on nonlinearities which are not clearly understood. These nonlinearities could be interfacial forces between the flowing fluid and its walls, variations in fluid properties, growth of voids, etc. The understanding of nonlinear dynamics of fluid flow is critical in physical systems which can undergo undesirable system operating scenarios such an oscillatory behavior which may lead to component failure. A nonlinear lumped mathematical model of a surge tank with a constant inlet flow into the tank and an outlet flow through a channel is derived from first principles. The model is used to demonstrate that surge tanks with inlet and outlet flows contribute to oscillatory behavior in laminar, turbulent, single-phase, and two-phase flow systems. Some oscillations are underdamped while others are self-sustaining. The mechanisms that are active in single-phase oscillations with no heating are presented using specific cases of simplified models. Also, it is demonstrated how an external mechanism such as boiling contributes to the oscillations observed in two-phase flow and gives rise to sustained oscillations (or pressure drop oscillations). A description of the pressure drop oscillation mechanism is presented using the steady state pressure drop versus mass flow rate characteristic curve of the heated channel, available steady state pressure drop versus mass flow rate from the surge tank, and the transient pressure drop versus mass flow rate limit cycle. Parametric studies are used to verify the theoretical pressure drop oscillations model using experimental data by Yuncu's (1990). The following contributions are unique: (1) comparisons of nonlinear pressure drop oscillation models with and without the effect of the wall thermal heat capacity and (2) comparisons of linearized pressure drop oscillation models with and without the effect of the wall thermal heat capacity to identify stability boundaries.
A numerical multi-scale model to predict macroscopic material anisotropy of multi-phase steels from crystal plasticity material definitions

NASA Astrophysics Data System (ADS)

Ravi, Sathish Kumar; Gawad, Jerzy; Seefeldt, Marc; Van Bael, Albert; Roose, Dirk

2017-10-01

A numerical multi-scale model is being developed to predict the anisotropic macroscopic material response of multi-phase steel. The embedded microstructure is given by a meso-scale Representative Volume Element (RVE), which holds the most relevant features like phase distribution, grain orientation, morphology etc., in sufficient detail to describe the multi-phase behavior of the material. A Finite Element (FE) mesh of the RVE is constructed using statistical information from individual phases such as grain size distribution and ODF. The material response of the RVE is obtained for selected loading/deformation modes through numerical FE simulations in Abaqus. For the elasto-plastic response of the individual grains, single crystal plasticity based plastic potential functions are proposed as Abaqus material definitions. The plastic potential functions are derived using the Facet method for individual phases in the microstructure at the level of single grains. The proposed method is a new modeling framework and the results presented in terms of macroscopic flow curves are based on the building blocks of the approach, while the model would eventually facilitate the construction of an anisotropic yield locus of the underlying multi-phase microstructure derived from a crystal plasticity based framework.
Sensitivity of single column model simulations of Arctic springtime clouds to different cloud cover and mixed phase cloud parameterizations

NASA Astrophysics Data System (ADS)

Zhang, Junhua; Lohmann, Ulrike

2003-08-01

The single column model of the Canadian Centre for Climate Modeling and Analysis (CCCma) climate model is used to simulate Arctic spring cloud properties observed during the Surface Heat Budget of the Arctic Ocean (SHEBA) experiment. The model is driven by the rawinsonde observations constrained European Center for Medium-Range Weather Forecasts (ECMWF) reanalysis data. Five cloud parameterizations, including three statistical and two explicit schemes, are compared and the sensitivity to mixed phase cloud parameterizations is studied. Using the original mixed phase cloud parameterization of the model, the statistical cloud schemes produce more cloud cover, cloud water, and precipitation than the explicit schemes and in general agree better with observations. The mixed phase cloud parameterization from ECMWF decreases the initial saturation specific humidity threshold of cloud formation. This improves the simulated cloud cover in the explicit schemes and reduces the difference between the different cloud schemes. On the other hand, because the ECMWF mixed phase cloud scheme does not consider the Bergeron-Findeisen process, less ice crystals are formed. This leads to a higher liquid water path and less precipitation than what was observed.
Beyond Atomic Sizes and Hume-Rothery Rules: Understanding and Predicting High-Entropy Alloys

DOE PAGES

Troparevsky, M. Claudia; Morris, James R.; Daene, Markus; ...

2015-09-03

High-entropy alloys constitute a new class of materials that provide an excellent combination of strength, ductility, thermal stability, and oxidation resistance. Although they have attracted extensive attention due to their potential applications, little is known about why these compounds are stable or how to predict which combination of elements will form a single phase. Here, we present a review of the latest research done on these alloys focusing on the theoretical models devised during the last decade. We discuss semiempirical methods based on the Hume-Rothery rules and stability criteria based on enthalpies of mixing and size mismatch. To provide insightsmore » into the electronic and magnetic properties of high-entropy alloys, we show the results of first-principles calculations of the electronic structure of the disordered solid-solution phase based on both Korringa Kohn Rostoker coherent potential approximation and large supercell models of example face-centered cubic and body-centered cubic systems. Furthermore, we discuss in detail a model based on enthalpy considerations that can predict which elemental combinations are most likely to form a single-phase high-entropy alloy. The enthalpies are evaluated via first-principles high-throughput density functional theory calculations of the energies of formation of binary compounds, and therefore it requires no experimental or empirically derived input. Finally, the model correctly accounts for the specific combinations of metallic elements that are known to form single-phase alloys while rejecting similar combinations that have been tried and shown not to be single phase.« less
interThermalPhaseChangeFoam-A framework for two-phase flow simulations with thermally driven phase change

NASA Astrophysics Data System (ADS)

Nabil, Mahdi; Rattner, Alexander S.

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

NASA Astrophysics Data System (ADS)

Akahane, Kenji; Russo, John; Tanaka, Hajime

2016-08-01

For different phases to coexist in equilibrium at constant temperature T and pressure P, the condition of equal chemical potential μ must be satisfied. This condition dictates that, for a single-component system, the maximum number of phases that can coexist is three. Historically this is known as the Gibbs phase rule, and is one of the oldest and venerable rules of thermodynamics. Here we make use of the fact that, by varying model parameters, the Gibbs phase rule can be generalized so that four phases can coexist even in single-component systems. To systematically search for the quadruple point, we use a monoatomic system interacting with a Stillinger-Weber potential with variable tetrahedrality. Our study indicates that the quadruple point provides flexibility in controlling multiple equilibrium phases and may be realized in systems with tunable interactions, which are nowadays feasible in several soft matter systems such as patchy colloids.
A possible four-phase coexistence in a single-component system

PubMed Central

Akahane, Kenji; Russo, John; Tanaka, Hajime

2016-01-01

For different phases to coexist in equilibrium at constant temperature T and pressure P, the condition of equal chemical potential μ must be satisfied. This condition dictates that, for a single-component system, the maximum number of phases that can coexist is three. Historically this is known as the Gibbs phase rule, and is one of the oldest and venerable rules of thermodynamics. Here we make use of the fact that, by varying model parameters, the Gibbs phase rule can be generalized so that four phases can coexist even in single-component systems. To systematically search for the quadruple point, we use a monoatomic system interacting with a Stillinger–Weber potential with variable tetrahedrality. Our study indicates that the quadruple point provides flexibility in controlling multiple equilibrium phases and may be realized in systems with tunable interactions, which are nowadays feasible in several soft matter systems such as patchy colloids. PMID:27558452

Nonequilibrium phase diagram of a one-dimensional quasiperiodic system with a single-particle mobility edge

NASA Astrophysics Data System (ADS)

Purkayastha, Archak; Dhar, Abhishek; Kulkarni, Manas

2017-11-01

We investigate and map out the nonequilibrium phase diagram of a generalization of the well known Aubry-André-Harper (AAH) model. This generalized AAH (GAAH) model is known to have a single-particle mobility edge which also has an additional self-dual property akin to that of the critical point of the AAH model. By calculating the population imbalance, we get hints of a rich phase diagram. We also find a fascinating connection between single particle wave functions near the mobility edge of the GAAH model and the wave functions of the critical AAH model. By placing this model far from equilibrium with the aid of two baths, we investigate the open system transport via system size scaling of nonequilibrium steady state (NESS) current, calculated by fully exact nonequilibrium Green's function (NEGF) formalism. The critical point of the AAH model now generalizes to a `critical' line separating regions of ballistic and localized transport. Like the critical point of the AAH model, current scales subdiffusively with system size on the `critical' line (I ˜N-2 ±0.1 ). However, remarkably, the scaling exponent on this line is distinctly different from that obtained for the critical AAH model (where I ˜N-1.4 ±0.05 ). All these results can be understood from the above-mentioned connection between states near the mobility edge of the GAAH model and those of the critical AAH model. A very interesting high temperature nonequilibrium phase diagram of the GAAH model emerges from our calculations.
Extended lattice Boltzmann scheme for droplet combustion.

PubMed

Ashna, Mostafa; Rahimian, Mohammad Hassan; Fakhari, Abbas

2017-05-01

The available lattice Boltzmann (LB) models for combustion or phase change are focused on either single-phase flow combustion or two-phase flow with evaporation assuming a constant density for both liquid and gas phases. To pave the way towards simulation of spray combustion, we propose a two-phase LB method for modeling combustion of liquid fuel droplets. We develop an LB scheme to model phase change and combustion by taking into account the density variation in the gas phase and accounting for the chemical reaction based on the Cahn-Hilliard free-energy approach. Evaporation of liquid fuel is modeled by adding a source term, which is due to the divergence of the velocity field being nontrivial, in the continuity equation. The low-Mach-number approximation in the governing Navier-Stokes and energy equations is used to incorporate source terms due to heat release from chemical reactions, density variation, and nonluminous radiative heat loss. Additionally, the conservation equation for chemical species is formulated by including a source term due to chemical reaction. To validate the model, we consider the combustion of n-heptane and n-butanol droplets in stagnant air using overall single-step reactions. The diameter history and flame standoff ratio obtained from the proposed LB method are found to be in good agreement with available numerical and experimental data. The present LB scheme is believed to be a promising approach for modeling spray combustion.
Berry phase of primordial scalar and tensor perturbations in single-field inflationary models

NASA Astrophysics Data System (ADS)

Balajany, Hamideh; Mehrafarin, Mohammad

2018-06-01

In the framework of the single-field slow-roll inflation, we derive the Hamiltonian of the linear primordial scalar and tensor perturbations in the form of time-dependent harmonic oscillator Hamiltonians. We find the invariant operators of the resulting Hamiltonians and use their eigenstates to calculate the adiabatic Berry phase for sub-horizon modes in terms of the Lewis-Riesenfeld phase. We conclude by discussing the discrepancy in the results of Pal et al. (2013) [21] for these Berry phases, which is resolved to yield agreement with our results.
Adopting a Single Planning Model in the Bulgarian Armed Forces at the Operational Level of War

DTIC Science & Technology

2013-06-13

Analysis ................................................................................. 36 BPP Phase 2 Operational Assessments of the Response Options...40 BPP Phase 3 Operational Orientation ....................................................................... 42
Interface Character of Aluminum-Graphite Metal Matrix Composites.

DTIC Science & Technology

1983-01-27

studied included the commer- cial A/graphite composites; layered model systems on single crystal and poly- crystalline graphite substrates as well as...composition and thickness of the composite interface, and graphite crystal orientation. 3 For the model systems in this study , single crystal graphite...been reviewed by Kingcry. Segregation at surfaces in single- crystal MgO of Fe, Cr and Sc, which were Dresent in concentrations within the single- 3phase
Evolution dynamics of a model for gene duplication under adaptive conflict

NASA Astrophysics Data System (ADS)

Ancliff, Mark; Park, Jeong-Man

2014-06-01

We present and solve the dynamics of a model for gene duplication showing escape from adaptive conflict. We use a Crow-Kimura quasispecies model of evolution where the fitness landscape is a function of Hamming distances from two reference sequences, which are assumed to optimize two different gene functions, to describe the dynamics of a mixed population of individuals with single and double copies of a pleiotropic gene. The evolution equations are solved through a spin coherent state path integral, and we find two phases: one is an escape from an adaptive conflict phase, where each copy of a duplicated gene evolves toward subfunctionalization, and the other is a duplication loss of function phase, where one copy maintains its pleiotropic form and the other copy undergoes neutral mutation. The phase is determined by a competition between the fitness benefits of subfunctionalization and the greater mutational load associated with maintaining two gene copies. In the escape phase, we find a dynamics of an initial population of single gene sequences only which escape adaptive conflict through gene duplication and find that there are two time regimes: until a time t* single gene sequences dominate, and after t* double gene sequences outgrow single gene sequences. The time t* is identified as the time necessary for subfunctionalization to evolve and spread throughout the double gene sequences, and we show that there is an optimum mutation rate which minimizes this time scale.
3D microstructural evolution of primary recrystallization and grain growth in cold rolled single-phase aluminum alloys

NASA Astrophysics Data System (ADS)

Adam, Khaled; Zöllner, Dana; Field, David P.

2018-04-01

Modeling the microstructural evolution during recrystallization is a powerful tool for the profound understanding of alloy behavior and for use in optimizing engineering properties through annealing. In particular, the mechanical properties of metallic alloys are highly dependent upon evolved microstructure and texture from the softening process. In the present work, a Monte Carlo (MC) Potts model was used to model the primary recrystallization and grain growth in cold rolled single-phase Al alloy. The microstructural representation of two kinds of dislocation densities, statistically stored dislocations and geometrically necessary dislocations were quantified based on the ViscoPlastic Fast Fourier transform method. This representation was then introduced into the MC Potts model to identify the favorable sites for nucleation where orientation gradients and entanglements of dislocations are high. Additionally, in situ observations of non-isothermal microstructure evolution for single-phase aluminum alloy 1100 were made to validate the simulation. The influence of the texture inhomogeneity is analyzed from a theoretical point of view using an orientation distribution function for deformed and evolved texture.
Spiral magnetism in the single-band Hubbard model: the Hartree-Fock and slave-boson approaches.

PubMed

Igoshev, P A; Timirgazin, M A; Gilmutdinov, V F; Arzhnikov, A K; Irkhin, V Yu

2015-11-11

The ground-state magnetic phase diagram is investigated within the single-band Hubbard model for square and different cubic lattices. The results of employing the generalized non-correlated mean-field (Hartree-Fock) approximation and generalized slave-boson approach by Kotliar and Ruckenstein with correlation effects included are compared. We take into account commensurate ferromagnetic, antiferromagnetic, and incommensurate (spiral) magnetic phases, as well as phase separation into magnetic phases of different types, which was often lacking in previous investigations. It is found that the spiral states and especially ferromagnetism are generally strongly suppressed up to non-realistically large Hubbard U by the correlation effects if nesting is absent and van Hove singularities are well away from the paramagnetic phase Fermi level. The magnetic phase separation plays an important role in the formation of magnetic states, the corresponding phase regions being especially wide in the vicinity of half-filling. The details of non-collinear and collinear magnetic ordering for different cubic lattices are discussed.
A remark on the phase transitions of modified action spin and gauge models

NASA Astrophysics Data System (ADS)

Seiberg, Nathan; Solomon, Sorin

1983-06-01

We consider the phase diagrams of modified action gauge and spin models and concentrate on their periphery - infinitely far from their origins (zero temperature - β-1 = 0). In this limit the exact positions of the phase transitions are found by looking for the global minimum of the single plaquette action (for a spin system - the single link energy). As the parameters of the model are varied, the position of such a global minimum is in general changed. When this changed is non-analytic, a phase transition takes place. The phase structure for finite β is clearly similar, but not identical to the infinite β one. We discuss several finite β corrections that should be applied to the exactly known infinite β picture. We confront our analysis for infinite β2 = ∑ iβ2i with the Monte Carlo simulations for two four-dimensional gauge systems: an SU(3) gauge model with action S=-Re∑ p( β1tr Up+ β2(tr Up) 2) and an SU(2) model with S=- Re Σ p[β 1{1}/{2}trU p+β 2( {1}/{2}trU p) 2+β 3( {1}/{2}trU p) 3] .
Longitudinal distribution of ozone and chlorine in the human respiratory tract: simulation of nasal and oral breathing with the single-path diffusion model.

PubMed

Bush, M L; Zhang, W; Ben-Jebria, A; Ultman, J S

2001-06-15

In the single-path model of the respiratory system, gas transport occurs within a conduit of progressively increasing cross-sectional and surface areas by a combination of flow, longitudinal dispersion, and lateral absorption. The purpose of this study was to use bolus inhalation data previously obtained for chlorine (Cl(2)) and for ozone (O(3)) to test the predictive capability of the single-path model and to adjust input parameters for applying the model to other exposure conditions. The data, consisting of uptake fraction as a function of bolus penetration volume, were recorded on 10 healthy nonsmokers breathing orally as well as nasally at alternative air flows of 150, 250, and 1000 ml/s. By employing published data for airway anatomy, gas-phase dispersion coefficients, and gas-phase mass transfer coefficients while neglecting diffusion limitations in the mucus phase, the single-path model was capable of predicting the uptake distribution for O(3) but not the steeper distribution that was observed for Cl(2). To simultaneously explain the data for these two gases, it was necessary to increase gas-phase mass transfer coefficients and to include a finite diffusion resistance of O(3) within the mucous layer. The O(3) reaction rate constants that accounted for this diffusion resistance, 2 x 10(6) s(-1) in the mouth and 8 x 10(6) s(-1) in the nose and lower airways, were much greater than previously reported reactivities of individual substrates found in mucus. Copyright 2001 Academic Press.
Optics & Opto-Electronic Systems

DTIC Science & Technology

1988-06-01

its reflection by the 13 cavity boundaries, and its reabsorption by the atom. Multimode corrections to the single-mode Jaynes - Cummings model are...walls. Transients in the Micromaser C. R. Stroud, Jr. The Jaynes - Cummings model of a single two-lev3l atom interacting with a single field mode of a...increasing laser intensity and to be as large as 22 bits/sec. A standard model of self- pumped phase conjugation due to four- wave mixing has been
Modeling creep deformation of a two-phase TiAI/Ti3Al alloy with a lamellar microstructure

NASA Astrophysics Data System (ADS)

Bartholomeusz, Michael F.; Wert, John A.

1994-10-01

A two-phase TiAl/Ti3Al alloy with a lamellar microstructure has been previously shown to exhibit a lower minimum creep rate than the minimum creep rates of the constituent TiAl and Ti3Al single-phase alloys. Fiducial-line experiments described in the present article demonstrate that the creep rates of the constituent phases within the two-phase TiAl/Ti3Al lamellar alloy tested in compression are more than an order of magnitude lower than the creep rates of single-phase TiAl and Ti3Al alloys tested in compression at the same stress and temperature. Additionally, the fiducial-line experiments show that no interfacial sliding of the phases in the TiAl/Ti3Al lamellar alloy occurs during creep. The lower creep rate of the lamellar alloy is attributed to enhanced hardening of the constituent phases within the lamellar microstructure. A composite-strength model has been formulated to predict the creep rate of the lamellar alloy, taking into account the lower creep rates of the constituent phases within the lamellar micro-structure. Application of the model yields a very good correlation between predicted and experimentally observed minimum creep rates over moderate stress and temperature ranges.
Re-Analysis of the Solar Phase Curves of the Icy Galilean Satellites

NASA Technical Reports Server (NTRS)

Domingue, Deborah; Verbiscer, Anne

1997-01-01

Re-analysis of the solar phase curves of the icy Galilean satellites demonstrates that the quantitative results are dependent on the single particle scattering function incorporated into the photometric model; however, the qualitative properties are independent. The results presented here show that the general physical characteristics predicted by a Hapke model (B. Hapke, 1986, Icarus 67, 264-280) incorporating a two parameter double Henyey-Greenstein scattering function are similar to the predictions given by the same model incorporating a three parameter double Henyey-Greenstein scattering function as long as the data set being modeled has adequate coverage in phase angle. Conflicting results occur when the large phase angle coverage is inadequate. Analysis of the role of isotropic versus anisotropic multiple scattering shows that for surfaces as bright as Europa the two models predict very similar results over phase angles covered by the data. Differences arise only at those phase angles for which there are no data. The single particle scattering behavior between the leading and trailing hemispheres of Europa and Ganymede is commensurate with magnetospheric alterations of their surfaces. Ion bombardment will produce more forward scattering single scattering functions due to annealing of potential scattering centers within regolith particles (N. J. Sack et al., 1992, Icarus 100, 534-540). Both leading and trailing hemispheres of Europa are consistent with a high porosity model and commensurate with a frost surface. There are no strong differences in predicted porosity between the two hemispheres of Callisto, both are consistent with model porosities midway between that deduced for Europa and the Moon. Surface roughness model estimates predict that surface roughness increases with satellite distance from Jupiter, with lunar surface roughness values falling midway between those measured for Ganymede and Callisto. There is no obvious variation in predicted surface roughness with hemisphere for any of the Galilean satellites.
Poroelastic Modeling as a Proof of Concept for Modular Representation of Coupled Geophysical Processes

NASA Astrophysics Data System (ADS)

Walker, R. L., II; Knepley, M.; Aminzadeh, F.

2017-12-01

We seek to use the tools provided by the Portable, Extensible Toolkit for Scientific Computation (PETSc) to represent a multiphysics problem in a form that decouples the element definition from the fully coupled equation through the use of pointwise functions that imitate the strong form of the governing equation. This allows allows individual physical processes to be expressed as independent kernels that may be then coupled with the existing finite element framework, PyLith, and capitalizes upon the flexibility offered by the solver, data management, and time stepping algorithms offered by PETSc. To demonstrate a characteristic example of coupled geophysical simulation devised in this manner, we present a model of a synthetic poroelastic environment, with and without the consideration of inertial effects, with fluid initially represented as a single phase. Matrix displacement and fluid pressure serve as the desired unknowns, with the option for various model parameters represented as dependent variables of the central unknowns. While independent of PyLith, this model also serves to showcase the adaptability of physics kernels for synthetic forward modeling. In addition, we seek to expand the base case to demonstrate the impact of modeling fluid as single phase compressible versus a single incompressible phase. As a goal, we also seek to include multiphase fluid modeling, as well as capillary effects.
A Multiphase Model for the Intracluster Medium

NASA Technical Reports Server (NTRS)

Nagai, Daisuke; Sulkanen, Martin E.; Evrard, August E.

1999-01-01

Constraints on the clustered mass density of the universe derived from the observed population mean intracluster gas fraction of x-ray clusters may be biased by reliance on a single-phase assumption for the thermodynamic structure of the intracluster medium (ICM). We propose a descriptive model for multiphase structure in which a spherically symmetric ICM contains isobaric density perturbations with a radially dependent variance. Fixing the x-ray emission and emission weighted temperature, we explore two independently observable signatures of the model in the parameter space. For bremsstrahlung dominated emission, the central Sunyaev-Zel'dovich (SZ) decrement in the multiphase case is increased over the single-phase case and multiphase x-ray spectra in the range 0.1-20 keV are flatter in the continuum and exhibit stronger low energy emission lines than their single-phase counterpart. We quantify these effects for a fiducial 10e8 K cluster and demonstrate how the combination of SZ and x-ray spectroscopy can be used to identify a preferred location in the plane of the model parameter space. From these parameters the correct value of mean intracluster gas fraction in the multiphase model results, allowing an unbiased estimate of clustered mass density to he recovered.
Quantitative phase imaging of biological cells and tissues using singleshot white light interference microscopy and phase subtraction method for extended range of measurement

NASA Astrophysics Data System (ADS)

Mehta, Dalip Singh; Sharma, Anuradha; Dubey, Vishesh; Singh, Veena; Ahmad, Azeem

2016-03-01

We present a single-shot white light interference microscopy for the quantitative phase imaging (QPI) of biological cells and tissues. A common path white light interference microscope is developed and colorful white light interferogram is recorded by three-chip color CCD camera. The recorded white light interferogram is decomposed into the red, green and blue color wavelength component interferograms and processed it to find out the RI for different color wavelengths. The decomposed interferograms are analyzed using local model fitting (LMF)" algorithm developed for reconstructing the phase map from single interferogram. LMF is slightly off-axis interferometric QPI method which is a single-shot method that employs only a single image, so it is fast and accurate. The present method is very useful for dynamic process where path-length changes at millisecond level. From the single interferogram a wavelength-dependent quantitative phase imaging of human red blood cells (RBCs) are reconstructed and refractive index is determined. The LMF algorithm is simple to implement and is efficient in computation. The results are compared with the conventional phase shifting interferometry and Hilbert transform techniques.
A unified analysis of solidification in Bridgman crystal growth

NASA Astrophysics Data System (ADS)

Lu, Ming-Fang

2012-04-01

The simulation of multiphase solidification process can be handled by combining the VOF (Volume of Fluid) transport equation, in which the continuum mechanics model is used to simulate the melt/solid interface and the conservation of mass, momentum, and energy. Because the melt phase, the solid phase, and the melt/solid interface are controlled by a single control equation; if the enthalpy model based on porosity concept represents the processing of the phase transformation range, it is possible to solve the problem of phase transformation in the same way as solving the single-phase problem. Once the energy field of enthalpy for each step in time is resolved, the position of the interface can be precisely calculated with the use of VOF equation. This type of novel VOF method can be applied to find out the conditions of vertical Bridgman crystal growing located on the earth or under microgravity.
A unified analysis of solidification in Bridgman crystal growth

NASA Astrophysics Data System (ADS)

Lu, Ming-Fang

2011-11-01

The simulation of multiphase solidification process can be handled by combining the VOF (Volume of Fluid) transport equation, in which the continuum mechanics model is used to simulate the melt/solid interface and the conservation of mass, momentum, and energy. Because the melt phase, the solid phase, and the melt/solid interface are controlled by a single control equation; if the enthalpy model based on porosity concept represents the processing of the phase transformation range, it is possible to solve the problem of phase transformation in the same way as solving the single-phase problem. Once the energy field of enthalpy for each step in time is resolved, the position of the interface can be precisely calculated with the use of VOF equation. This type of novel VOF method can be applied to find out the conditions of vertical Bridgman crystal growing located on the earth or under microgravity.
A Three-Dimensional Pore-Scale Model for Non-Wetting Phase Mobilization with Ferrofluid

NASA Astrophysics Data System (ADS)

Wang, N.; Prodanovic, M.

2017-12-01

Ferrofluid, a stable dispersion of paramagnetic nanoparticles in water, can generate a distributed pressure difference across the phase interface in an immiscible two-phase flow under an external magnetic field. In water-wet porous media, this non-uniform pressure difference may be used to mobilize the non-wetting phase, e.g. oil, trapped in the pores. Previous numerical work by Soares et al. of two-dimensional single-pore model showed enhanced non-wetting phase recovery with water-based ferrofluid under certain magnetic field directions and decreased recovery under other directions. However, the magnetic field selectively concentrates in the high magnetic permeability ferrofluid which fills the small corners between the non-wetting phase and the solid wall. The magnetic field induced pressure is proportional to the square of local magnetic field strength and its normal component, and makes a significant impact on the non-wetting phase deformation. The two-dimensional model omitted the effect of most of these corners and is not sufficient to compute the magnetic-field-induced pressure difference or to predict the non-wetting blob deformation. Further, it is not clear that 3D effects on magnetic field in an irregular geometry can be approximated in 2D. We present a three-dimensional immiscible two-phase flow model to simulate the deformation of a non-wetting liquid blob in a single pore filled with a ferrofluid under a uniform external magnetic field. The ferrofluid is modeled as a uniform single phase because the nanoparticles are 104 times smaller than the pore. The open source CFD solver library OpenFOAM is used for the simulations based on the volume of fluid method. Simulations are performed in a converging-diverging channel model on different magnetic field direction, different initial oil saturations, and different pore shapes. Results indicate that the external magnetic field always stretches the non-wetting blob away from the solid channel wall. A magnetic field transverse to the channel direction may likely provide the best elongation along the channel direction for the non-wetting blob. The pore-throat size ratio has an impact on the deformation of the non-wetting blob.
Modeling Nonlinear Elastic-plastic Behavior of RDX Single Crystals During Indentation

DTIC Science & Technology

2012-01-01

single crystals has also been probed using shock experiments (6, 12) and molecular dynamics simulations (12–14). RDX undergoes a polymorphic phase...Patterson, J.; Dreger, Z.; Gupta, Y. Shock-wave Induced Phase Transition in RDX Single Crystals. J. Phys. Chem. B 2007, 111, 10897–10904. 17. Bedrov, D...and Volume Compression of β - HMX and RDX . In Proc. Int. Symp. High Dynamic Pressures; Commissariat a l’Energie Atomique: Paris, 1978; pp 3–8. 24

Snow particles extracted from X-ray computed microtomography imagery and their single-scattering properties

NASA Astrophysics Data System (ADS)

Ishimoto, Hiroshi; Adachi, Satoru; Yamaguchi, Satoru; Tanikawa, Tomonori; Aoki, Teruo; Masuda, Kazuhiko

2018-04-01

Sizes and shapes of snow particles were determined from X-ray computed microtomography (micro-CT) images, and their single-scattering properties were calculated at visible and near-infrared wavelengths using a Geometrical Optics Method (GOM). We analyzed seven snow samples including fresh and aged artificial snow and natural snow obtained from field samples. Individual snow particles were numerically extracted, and the shape of each snow particle was defined by applying a rendering method. The size distribution and specific surface area distribution were estimated from the geometrical properties of the snow particles, and an effective particle radius was derived for each snow sample. The GOM calculations at wavelengths of 0.532 and 1.242 μm revealed that the realistic snow particles had similar scattering phase functions as those of previously modeled irregular shaped particles. Furthermore, distinct dendritic particles had a characteristic scattering phase function and asymmetry factor. The single-scattering properties of particles of effective radius reff were compared with the size-averaged single-scattering properties. We found that the particles of reff could be used as representative particles for calculating the average single-scattering properties of the snow. Furthermore, the single-scattering properties of the micro-CT particles were compared to those of particle shape models using our current snow retrieval algorithm. For the single-scattering phase function, the results of the micro-CT particles were consistent with those of a conceptual two-shape model. However, the particle size dependence differed for the single-scattering albedo and asymmetry factor.
Evaluation of a locally homogeneous model of spray evaporation

NASA Technical Reports Server (NTRS)

Shearer, A. J.; Faeth, G. M.

1979-01-01

A model of spray evaporation which employs a second-order turbulence model in conjunction with the locally homogeneous flow approximation, which implies infinitely fast interphase transport rates is presented. Measurements to test the model were completed for single phase constant and variable density jets, as well as an evaporating spray in stagnant air. Profiles of mean velocity, composition, temperature and drop size distribution as well as velocity fluctuations and Reynolds stress, were measured within the spray. Predictions were in agreement with measurements in single phase flows and also with many characteristics of the spray, e.g. flow width, radial profiles of mean and turbulent quantities, and the axial rate of decay of mean velocity and mixture fraction.
Particle-laden weakly swirling free jets: Measurements and predictions. Ph.D. Thesis - Pennsylvania State Univ.

NASA Technical Reports Server (NTRS)

Bulzan, Daniel L.

1988-01-01

A theoretical and experimental investigation of particle-laden, weakly swirling, turbulent free jets was conducted. Glass particles, having a Sauter mean diameter of 39 microns, with a standard deviation of 15 microns, were used. A single loading ratio (the mass flow rate of particles per unit mass flow rate of air) of 0.2 was used in the experiments. Measurements are reported for three swirl numbers, ranging from 0 to 0.33. The measurements included mean and fluctuating velocities of both phases, and particle mass flux distributions. Measurements were also completed for single-phase non-swirling and swirling jets, as baselines. Measurements were compared with predictions from three types of multiphase flow analysis, as follows: (1) locally homogeneous flow (LHF) where slip between the phases was neglected; (2) deterministic separated flow (DSF), where slip was considered but effects of turbulence/particle interactions were neglected; and (3) stochastic separated flow (SSF), where effects of both interphase slip and turbulence/particle interactions were considered using random sampling for turbulence properties in conjunction with random-walk computations for particle motion. Single-phase weakly swirling jets were considered first. Predictions using a standard k-epsilon turbulence model, as well as two versions modified to account for effects of streamline curvature, were compared with measurements. Predictions using a streamline curvature modification based on the flux Richardson number gave better agreement with measurements for the single-phase swirling jets than the standard k-epsilon model. For the particle-laden jets, the LHF and DSF models did not provide very satisfactory predictions. The LHF model generally overestimated the rate of decay of particle mean axial and angular velocities with streamwise distance, and predicted particle mass fluxes also showed poor agreement with measurements, due to the assumption of no-slip between phases. The DSF model also performed quite poorly for predictions of particle mass flux because turbulent dispersion of the particles was neglected. The SSF model, which accounts for both particle inertia and turbulent dispersion of the particles, yielded reasonably good predictions throughout the flow field for the particle-laden jets.
Multi-phase SPH modelling of violent hydrodynamics on GPUs

NASA Astrophysics Data System (ADS)

Mokos, Athanasios; Rogers, Benedict D.; Stansby, Peter K.; Domínguez, José M.

2015-11-01

This paper presents the acceleration of multi-phase smoothed particle hydrodynamics (SPH) using a graphics processing unit (GPU) enabling large numbers of particles (10-20 million) to be simulated on just a single GPU card. With novel hardware architectures such as a GPU, the optimum approach to implement a multi-phase scheme presents some new challenges. Many more particles must be included in the calculation and there are very different speeds of sound in each phase with the largest speed of sound determining the time step. This requires efficient computation. To take full advantage of the hardware acceleration provided by a single GPU for a multi-phase simulation, four different algorithms are investigated: conditional statements, binary operators, separate particle lists and an intermediate global function. Runtime results show that the optimum approach needs to employ separate cell and neighbour lists for each phase. The profiler shows that this approach leads to a reduction in both memory transactions and arithmetic operations giving significant runtime gains. The four different algorithms are compared to the efficiency of the optimised single-phase GPU code, DualSPHysics, for 2-D and 3-D simulations which indicate that the multi-phase functionality has a significant computational overhead. A comparison with an optimised CPU code shows a speed up of an order of magnitude over an OpenMP simulation with 8 threads and two orders of magnitude over a single thread simulation. A demonstration of the multi-phase SPH GPU code is provided by a 3-D dam break case impacting an obstacle. This shows better agreement with experimental results than an equivalent single-phase code. The multi-phase GPU code enables a convergence study to be undertaken on a single GPU with a large number of particles that otherwise would have required large high performance computing resources.
Pharmacodynamic Modeling of Cell Cycle Effects for Gemcitabine and Trabectedin Combinations in Pancreatic Cancer Cells

PubMed Central

Miao, Xin; Koch, Gilbert; Ait-Oudhia, Sihem; Straubinger, Robert M.; Jusko, William J.

2016-01-01

Combinations of gemcitabine and trabectedin exert modest synergistic cytotoxic effects on two pancreatic cancer cell lines. Here, systems pharmacodynamic (PD) models that integrate cellular response data and extend a prototype model framework were developed to characterize dynamic changes in cell cycle phases of cancer cell subpopulations in response to gemcitabine and trabectedin as single agents and in combination. Extensive experimental data were obtained for two pancreatic cancer cell lines (MiaPaCa-2 and BxPC-3), including cell proliferation rates over 0–120 h of drug exposure, and the fraction of cells in different cell cycle phases or apoptosis. Cell cycle analysis demonstrated that gemcitabine induced cell cycle arrest in S phase, and trabectedin induced transient cell cycle arrest in S phase that progressed to G2/M phase. Over time, cells in the control group accumulated in G0/G1 phase. Systems cell cycle models were developed based on observed mechanisms and were used to characterize both cell proliferation and cell numbers in the sub G1, G0/G1, S, and G2/M phases in the control and drug-treated groups. The proposed mathematical models captured well both single and joint effects of gemcitabine and trabectedin. Interaction parameters were applied to quantify unexplainable drug-drug interaction effects on cell cycle arrest in S phase and in inducing apoptosis. The developed models were able to identify and quantify the different underlying interactions between gemcitabine and trabectedin, and captured well our large datasets in the dimensions of time, drug concentrations, and cellular subpopulations. PMID:27895579
From Modeling of Plasticity in Single-Crystal Superalloys to High-Resolution X-rays Three-Crystal Diffractometer Peaks Simulation

NASA Astrophysics Data System (ADS)

Jacques, Alain

2016-12-01

The dislocation-based modeling of the high-temperature creep of two-phased single-crystal superalloys requires input data beyond strain vs time curves. This may be obtained by use of in situ experiments combining high-temperature creep tests with high-resolution synchrotron three-crystal diffractometry. Such tests give access to changes in phase volume fractions and to the average components of the stress tensor in each phase as well as the plastic strain of each phase. Further progress may be obtained by a new method making intensive use of the Fast Fourier Transform, and first modeling the behavior of a representative volume of material (stress fields, plastic strain, dislocation densities…), then simulating directly the corresponding diffraction peaks, taking into account the displacement field within the material, chemical variations, and beam coherence. Initial tests indicate that the simulated peak shapes are close to the experimental ones and are quite sensitive to the details of the microstructure and to dislocation densities at interfaces and within the soft γ phase.
Quantum criticality of a spin-1 XY model with easy-plane single-ion anisotropy via a two-time Green function approach avoiding the Anderson-Callen decoupling

NASA Astrophysics Data System (ADS)

Mercaldo, M. T.; Rabuffo, I.; De Cesare, L.; Caramico D'Auria, A.

2016-04-01

In this work we study the quantum phase transition, the phase diagram and the quantum criticality induced by the easy-plane single-ion anisotropy in a d-dimensional quantum spin-1 XY model in absence of an external longitudinal magnetic field. We employ the two-time Green function method by avoiding the Anderson-Callen decoupling of spin operators at the same sites which is of doubtful accuracy. Following the original Devlin procedure we treat exactly the higher order single-site anisotropy Green functions and use Tyablikov-like decouplings for the exchange higher order ones. The related self-consistent equations appear suitable for an analysis of the thermodynamic properties at and around second order phase transition points. Remarkably, the equivalence between the microscopic spin model and the continuous O(2) -vector model with transverse-Ising model (TIM)-like dynamics, characterized by a dynamic critical exponent z=1, emerges at low temperatures close to the quantum critical point with the single-ion anisotropy parameter D as the non-thermal control parameter. The zero-temperature critic anisotropy parameter Dc is obtained for dimensionalities d > 1 as a function of the microscopic exchange coupling parameter and the related numerical data for different lattices are found to be in reasonable agreement with those obtained by means of alternative analytical and numerical methods. For d > 2, and in particular for d=3, we determine the finite-temperature critical line ending in the quantum critical point and the related TIM-like shift exponent, consistently with recent renormalization group predictions. The main crossover lines between different asymptotic regimes around the quantum critical point are also estimated providing a global phase diagram and a quantum criticality very similar to the conventional ones.
Motion compensation via redundant-wavelet multihypothesis.

PubMed

Fowler, James E; Cui, Suxia; Wang, Yonghui

2006-10-01

Multihypothesis motion compensation has been widely used in video coding with previous attention focused on techniques employing predictions that are diverse spatially or temporally. In this paper, the multihypothesis concept is extended into the transform domain by using a redundant wavelet transform to produce multiple predictions that are diverse in transform phase. The corresponding multiple-phase inverse transform implicitly combines the phase-diverse predictions into a single spatial-domain prediction for motion compensation. The performance advantage of this redundant-wavelet-multihypothesis approach is investigated analytically, invoking the fact that the multiple-phase inverse involves a projection that significantly reduces the power of a dense-motion residual modeled as additive noise. The analysis shows that redundant-wavelet multihypothesis is capable of up to a 7-dB reduction in prediction-residual variance over an equivalent single-phase, single-hypothesis approach. Experimental results substantiate the performance advantage for a block-based implementation.
Phase-space analysis of the Schwinger effect in inhomogeneous electromagnetic fields

NASA Astrophysics Data System (ADS)

Kohlfürst, Christian

2018-05-01

Schwinger pair production in spatially and temporally inhomogeneous electric and magnetic fields is studied. The focus is on the particle phase-space distribution within a high-intensity few-cycle pulse. Accurate numerical solutions of a quantum kinetic theory (DHW formalism) are presented in momentum space and, with the aid of coarse-graining techniques, in a mixed spatial-momentum representation. Additionally, signatures of the carrier-envelope phase as well as spin-field interactions are discussed on the basis of a trajectory-based model taking into account instantaneous pair production and relativistic single-particle dynamics. Although our simple semi-classical single-particle model cannot describe every aspect of the particle production process (quantum interferences), essential features such as spin-field interactions are captured.
Aerodynamically and acoustically driven modes of vibration in a physical model of the vocal folds.

PubMed

Zhang, Zhaoyan; Neubauer, Juergen; Berry, David A

2006-11-01

In a single-layered, isotropic, physical model of the vocal folds, distinct phonation types were identified based on the medial surface dynamics of the vocal fold. For acoustically driven phonation, a single, in-phase, x-10 like eigenmode captured the essential dynamics, and coupled with one of the acoustic resonances of the subglottal tract. Thus, the fundamental frequency appeared to be determined primarily by a subglottal acoustic resonance. In contrast, aerodynamically driven phonation did not naturally appear in the single-layered model, but was facilitated by the introduction of a vertical constraint. For this phonation type, fundamental frequency was relatively independent of the acoustic resonances, and two eigenmodes were required to capture the essential dynamics of the vocal fold, including an out-of-phase x-11 like eigenmode and an in-phase x-10 like eigenmode, as described in earlier theoretical work. The two eigenmodes entrained to the same frequency, and were decoupled from subglottal acoustic resonances. With this independence from the acoustic resonances, vocal fold dynamics appeared to be determined primarily by near-field, fluid-structure interactions.
Novel phase diagram behavior and materials design in heterostructural semiconductor alloys

PubMed Central

Holder, Aaron M.; Siol, Sebastian; Ndione, Paul F.; Peng, Haowei; Deml, Ann M.; Matthews, Bethany E.; Schelhas, Laura T.; Toney, Michael F.; Gordon, Roy G.; Tumas, William; Perkins, John D.; Ginley, David S.; Gorman, Brian P.; Tate, Janet; Zakutayev, Andriy; Lany, Stephan

2017-01-01

Structure and composition control the behavior of materials. Isostructural alloying is historically an extremely successful approach for tuning materials properties, but it is often limited by binodal and spinodal decomposition, which correspond to the thermodynamic solubility limit and the stability against composition fluctuations, respectively. We show that heterostructural alloys can exhibit a markedly increased range of metastable alloy compositions between the binodal and spinodal lines, thereby opening up a vast phase space for novel homogeneous single-phase alloys. We distinguish two types of heterostructural alloys, that is, those between commensurate and incommensurate phases. Because of the structural transition around the critical composition, the properties change in a highly nonlinear or even discontinuous fashion, providing a mechanism for materials design that does not exist in conventional isostructural alloys. The novel phase diagram behavior follows from standard alloy models using mixing enthalpies from first-principles calculations. Thin-film deposition demonstrates the viability of the synthesis of these metastable single-phase domains and validates the computationally predicted phase separation mechanism above the upper temperature bound of the nonequilibrium single-phase region. PMID:28630928
Novel phase diagram behavior and materials design in heterostructural semiconductor alloys.

PubMed

Holder, Aaron M; Siol, Sebastian; Ndione, Paul F; Peng, Haowei; Deml, Ann M; Matthews, Bethany E; Schelhas, Laura T; Toney, Michael F; Gordon, Roy G; Tumas, William; Perkins, John D; Ginley, David S; Gorman, Brian P; Tate, Janet; Zakutayev, Andriy; Lany, Stephan

2017-06-01

Structure and composition control the behavior of materials. Isostructural alloying is historically an extremely successful approach for tuning materials properties, but it is often limited by binodal and spinodal decomposition, which correspond to the thermodynamic solubility limit and the stability against composition fluctuations, respectively. We show that heterostructural alloys can exhibit a markedly increased range of metastable alloy compositions between the binodal and spinodal lines, thereby opening up a vast phase space for novel homogeneous single-phase alloys. We distinguish two types of heterostructural alloys, that is, those between commensurate and incommensurate phases. Because of the structural transition around the critical composition, the properties change in a highly nonlinear or even discontinuous fashion, providing a mechanism for materials design that does not exist in conventional isostructural alloys. The novel phase diagram behavior follows from standard alloy models using mixing enthalpies from first-principles calculations. Thin-film deposition demonstrates the viability of the synthesis of these metastable single-phase domains and validates the computationally predicted phase separation mechanism above the upper temperature bound of the nonequilibrium single-phase region.
Novel phase diagram behavior and materials design in heterostructural semiconductor alloys

DOE PAGES

Holder, Aaron M.; Siol, Sebastian; Ndione, Paul F.; ...

2017-06-07

Structure and composition control the behavior of materials. Isostructural alloying is historically an extremely successful approach for tuning materials properties, but it is often limited by binodal and spinodal decomposition, which correspond to the thermodynamic solubility limit and the stability against composition fluctuations, respectively. We show that heterostructural alloys can exhibit a markedly increased range of metastable alloy compositions between the binodal and spinodal lines, thereby opening up a vast phase space for novel homogeneous single-phase alloys. We distinguish two types of heterostructural alloys, that is, those between commensurate and incommensurate phases. Because of the structural transition around the criticalmore » composition, the properties change in a highly nonlinear or even discontinuous fashion, providing a mechanism for materials design that does not exist in conventional isostructural alloys. The novel phase diagram behavior follows from standard alloy models using mixing enthalpies from first-principles calculations. Furthermore, thin-film deposition demonstrates the viability of the synthesis of these metastable single-phase domains and validates the computationally predicted phase separation mechanism above the upper temperature bound of the nonequilibrium single-phase region.« less
Development of Novel PEM Membrane and Multiphase CD Modeling of PEM Fuel Cell

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

K. J. Berry; Susanta Das

2009-12-30

To understand heat and water management phenomena better within an operational proton exchange membrane fuel cell's (PEMFC) conditions, a three-dimensional, two-phase computational fluid dynamic (CFD) flow model has been developed and simulated for a complete PEMFC. Both liquid and gas phases are considered in the model by taking into account the gas flow, diffusion, charge transfer, change of phase, electro-osmosis, and electrochemical reactions to understand the overall dynamic behaviors of species within an operating PEMFC. The CFD model is solved numerically under different parametric conditions in terms of water management issues in order to improve cell performance. The results obtainedmore » from the CFD two-phase flow model simulations show improvement in cell performance as well as water management under PEMFCs operational conditions as compared to the results of a single phase flow model available in the literature. The quantitative information obtained from the two-phase model simulation results helped to develop a CFD control algorithm for low temperature PEM fuel cell stacks which opens up a route in designing improvement of PEMFC for better operational efficiency and performance. To understand heat and water management phenomena better within an operational proton exchange membrane fuel cell's (PEMFC) conditions, a three-dimensional, two-phase computational fluid dynamic (CFD) flow model has been developed and simulated for a complete PEMFC. Both liquid and gas phases are considered in the model by taking into account the gas flow, diffusion, charge transfer, change of phase, electro-osmosis, and electrochemical reactions to understand the overall dynamic behaviors of species within an operating PEMFC. The CFD model is solved numerically under different parametric conditions in terms of water management issues in order to improve cell performance. The results obtained from the CFD two-phase flow model simulations show improvement in cell performance as well as water management under PEMFCs operational conditions as compared to the results of a single phase flow model available in the literature. The quantitative information obtained from the two-phase model simulation results helped to develop a CFD control algorithm for low temperature PEM fuel cell stacks which opens up a route in designing improvement of PEMFC for better operational efficiency and performance.« less
Time-dependent behavior in a transport-barrier model for the quasi-single helcity state

NASA Astrophysics Data System (ADS)

Terry, P. W.; Whelan, G. G.

2014-09-01

Time-dependent behavior that follows from a recent theory of the quasi-single-helicity (QSH) state of the reversed field pinch is considered. The theory (Kim and Terry 2012 Phys. Plasmas 19 122304) treats QSH as a core fluctuation structure tied to a tearing mode of the same helicity, and shows that strong magnetic and velocity shears in the structure suppress the nonlinear interaction with other fluctuations. By summing the multiple helicity fluctuation energies over wavenumber, we reduce the theory to a predator-prey model. The suppression of the nonlinear interaction is governed by the single helicity energy, which, for fixed radial structure, controls the magnetic and velocity shearing rates. It is also controlled by plasma current which, in the theory, sets the shearing threshold for suppression. The model shows a limit cycle oscillation in which the system toggles between QSH and multiple helicity states, with the single helicity phase becoming increasingly long-lived relative to the multiple helicity phase as plasma current increases.
Layover and shadow detection based on distributed spaceborne single-baseline InSAR

NASA Astrophysics Data System (ADS)

Huanxin, Zou; Bin, Cai; Changzhou, Fan; Yun, Ren

2014-03-01

Distributed spaceborne single-baseline InSAR is an effective technique to get high quality Digital Elevation Model. Layover and Shadow are ubiquitous phenomenon in SAR images because of geometric relation of SAR imaging. In the signal processing of single-baseline InSAR, the phase singularity of Layover and Shadow leads to the phase difficult to filtering and unwrapping. This paper analyzed the geometric and signal model of the Layover and Shadow fields. Based on the interferometric signal autocorrelation matrix, the paper proposed the signal number estimation method based on information theoretic criteria, to distinguish Layover and Shadow from normal InSAR fields. The effectiveness and practicability of the method proposed in the paper are validated in the simulation experiments and theoretical analysis.
Multimode excitation-induced phase shifts in intrinsic Fabry-Perot interferometric fiber sensor spectra.

PubMed

Ma, Cheng; Wang, Anbo

2010-09-01

We report the modal analysis of optical fiber single-mode-multimode-single-mode intrinsic Fabry-Perot interferometer sensors. The multimode nature of the Fabry-Perot cavity gives rise to an additional phase term in the spectrogram due to intermodal dispersion-induced wavefront distortion, which could significantly affect the cavity length demodulation accuracy. By using an exact model to analyze the modal behavior, this phase term is explained by employing a rotating vector approach. Comparison of the theoretical analysis with experimental results is presented.
Field-induced phase transition in Ce3M4Sn13 with M = Co, Rh, and Ru

NASA Astrophysics Data System (ADS)

Ślebarski, Andrzej; Goraus, Jerzy

2018-05-01

Large electronic specific heat coefficient, C (T) / T , suggests that the family of Ce3M4Sn13 heavy-fermions (HF) is near a magnetic quantum critical point (QCP). We analyze the 4 f contribution to the specific heat in terms of the single-ion Kondo resonance model. An unexpected change in the Kondo temperature TK versus magnetic field B signals a field-induced phase transition between the magnetically correlated HF phase and a single-ion Kondo impurity state.
Chaotic phase synchronization in bursting-neuron models driven by a weak periodic force

NASA Astrophysics Data System (ADS)

Ando, Hiroyasu; Suetani, Hiromichi; Kurths, Jürgen; Aihara, Kazuyuki

2012-07-01

We investigate the entrainment of a neuron model exhibiting a chaotic spiking-bursting behavior in response to a weak periodic force. This model exhibits two types of oscillations with different characteristic time scales, namely, long and short time scales. Several types of phase synchronization are observed, such as 1:1 phase locking between a single spike and one period of the force and 1:l phase locking between the period of slow oscillation underlying bursts and l periods of the force. Moreover, spiking-bursting oscillations with chaotic firing patterns can be synchronized with the periodic force. Such a type of phase synchronization is detected from the position of a set of points on a unit circle, which is determined by the phase of the periodic force at each spiking time. We show that this detection method is effective for a system with multiple time scales. Owing to the existence of both the short and the long time scales, two characteristic phenomena are found around the transition point to chaotic phase synchronization. One phenomenon shows that the average time interval between successive phase slips exhibits a power-law scaling against the driving force strength and that the scaling exponent has an unsmooth dependence on the changes in the driving force strength. The other phenomenon shows that Kuramoto's order parameter before the transition exhibits stepwise behavior as a function of the driving force strength, contrary to the smooth transition in a model with a single time scale.
Characterizing new compositions of [001]C relaxor ferroelectric single crystals using a work-energy model

NASA Astrophysics Data System (ADS)

Gallagher, John A.

2016-04-01

The desired operating range of ferroelectric materials with compositions near the morphotropic phase boundary is limited by field induced phase transformations. In [001]C cut and poled relaxor ferroelectric single crystals the mechanically driven ferroelectric rhombohedral to ferroelectric orthorhombic phase transformation is hindered by antagonistic electrical loading. Instability around the phase transformation makes the current experimental technique for characterization of the large field behavior very time consuming. Characterization requires specialized equipment and involves an extensive set of measurements under combined electrical, mechanical, and thermal loads. In this work a mechanism-based model is combined with a more limited set of experiments to obtain the same results. The model utilizes a work-energy criterion that calculates the mechanical work required to induce the transformation and the required electrical work that is removed to reverse the transformation. This is done by defining energy barriers to the transformation. The results of the combined experiment and modeling approach are compared to the fully experimental approach and error is discussed. The model shows excellent predictive capability and is used to substantially reduce the total number of experiments required for characterization. This decreases the time and resources required for characterization of new compositions.

CO 2 Leakage Into Shallow Aquifers: Modeling CO 2 Gas Evolution and Accumulation at Interfaces of Heterogeneity

DOE PAGES

Porter, Mark L.; Plampin, Michael; Pawar, Rajesh; ...

2014-12-31

The physicochemical processes associated with CO 2 leakage into shallow aquifer systems are complex and span multiple spatial and time scales. Continuum-scale numerical models that faithfully represent the underlying pore-scale physics are required to predict the long-term behavior and aid in risk analysis regarding regulatory and management decisions. This study focuses on benchmarking the numerical simulator, FEHM, with intermediate-scale column experiments of CO 2 gas evolution in homogeneous and heterogeneous sand configurations. Inverse modeling was conducted to calibrate model parameters and determine model sensitivity to the observed steady-state saturation profiles. It is shown that FEHM is a powerful tool thatmore » is capable of capturing the experimentally observed out ow rates and saturation profiles. Moreover, FEHM captures the transition from single- to multi-phase flow and CO 2 gas accumulation at interfaces separating sands. We also derive a simple expression, based on Darcy's law, for the pressure at which CO 2 free phase gas is observed and show that it reliably predicts the location at which single-phase flow transitions to multi-phase flow.« less
A self-resetting spiking phase-change neuron

NASA Astrophysics Data System (ADS)

Cobley, R. A.; Hayat, H.; Wright, C. D.

2018-05-01

Neuromorphic, or brain-inspired, computing applications of phase-change devices have to date concentrated primarily on the implementation of phase-change synapses. However, the so-called accumulation mode of operation inherent in phase-change materials and devices can also be used to mimic the integrative properties of a biological neuron. Here we demonstrate, using physical modelling of nanoscale devices and SPICE modelling of associated circuits, that a single phase-change memory cell integrated into a comparator type circuit can deliver a basic hardware mimic of an integrate-and-fire spiking neuron with self-resetting capabilities. Such phase-change neurons, in combination with phase-change synapses, can potentially open a new route for the realisation of all-phase-change neuromorphic computing.
A self-resetting spiking phase-change neuron.

PubMed

Cobley, R A; Hayat, H; Wright, C D

2018-05-11

Neuromorphic, or brain-inspired, computing applications of phase-change devices have to date concentrated primarily on the implementation of phase-change synapses. However, the so-called accumulation mode of operation inherent in phase-change materials and devices can also be used to mimic the integrative properties of a biological neuron. Here we demonstrate, using physical modelling of nanoscale devices and SPICE modelling of associated circuits, that a single phase-change memory cell integrated into a comparator type circuit can deliver a basic hardware mimic of an integrate-and-fire spiking neuron with self-resetting capabilities. Such phase-change neurons, in combination with phase-change synapses, can potentially open a new route for the realisation of all-phase-change neuromorphic computing.
The construction phase’s influence to the moving ability of cross-sections of woven structure

NASA Astrophysics Data System (ADS)

Inogamdjanov, D.; Daminov, A.; Kasimov, O.

2017-10-01

The purpose of this study is to work out bases to predict properties for single layer flat woven fabrics depending on changes of construction phases. A structural model of cross-section of single layered fabric is described based on the Pierce’s model. Form transformation of the yarn like straight, semi-arch and arch yarn is considered according to the alteration of yarn tension under the theory of Novikov. The value contributions to movement index of warp and weft yarn and their total moving ability in cross-sections at all structure phases of fabric are summarized.
Modeling Single-Phase and Boiling Liquid Jet Impingement Cooling in Power Electronics

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

Narumanchi, S. V. J.; Hassani, V.; Bharathan, D.

2005-12-01

Jet impingement has been an attractive cooling option in a number of industries over the past few decades. Over the past 15 years, jet impingement has been explored as a cooling option in microelectronics. Recently, interest has been expressed by the automotive industry in exploring jet impingement for cooling power electronics components. This technical report explores, from a modeling perspective, both single-phase and boiling jet impingement cooling in power electronics, primarily from a heat transfer viewpoint. The discussion is from the viewpoint of the cooling of IGBTs (insulated-gate bipolar transistors), which are found in hybrid automobile inverters.
Auditory-nerve single-neuron thresholds to electrical stimulation from scala tympani electrodes.

PubMed

Parkins, C W; Colombo, J

1987-12-31

Single auditory-nerve neuron thresholds were studied in sensory-deafened squirrel monkeys to determine the effects of electrical stimulus shape and frequency on single-neuron thresholds. Frequency was separated into its components, pulse width and pulse rate, which were analyzed separately. Square and sinusoidal pulse shapes were compared. There were no or questionably significant threshold differences in charge per phase between sinusoidal and square pulses of the same pulse width. There was a small (less than 0.5 dB) but significant threshold advantage for 200 microseconds/phase pulses delivered at low pulse rates (156 pps) compared to higher pulse rates (625 pps and 2500 pps). Pulse width was demonstrated to be the prime determinant of single-neuron threshold, resulting in strength-duration curves similar to other mammalian myelinated neurons, but with longer chronaxies. The most efficient electrical stimulus pulse width to use for cochlear implant stimulation was determined to be 100 microseconds/phase. This pulse width delivers the lowest charge/phase at threshold. The single-neuron strength-duration curves were compared to strength-duration curves of a computer model based on the specific anatomy of auditory-nerve neurons. The membrane capacitance and resulting chronaxie of the model can be varied by altering the length of the unmyelinated termination of the neuron, representing the unmyelinated portion of the neuron between the habenula perforata and the hair cell. This unmyelinated segment of the auditory-nerve neuron may be subject to aminoglycoside damage. Simulating a 10 micron unmyelinated termination for this model neuron produces a strength-duration curve that closely fits the single-neuron data obtained from aminoglycoside deafened animals. Both the model and the single-neuron strength-duration curves differ significantly from behavioral threshold data obtained from monkeys and humans with cochlear implants. This discrepancy can best be explained by the involvement of higher level neurologic processes in the behavioral responses. These findings suggest that the basic principles of neural membrane function must be considered in developing or analyzing electrical stimulation strategies for cochlear prostheses if the appropriate stimulation of frequency specific populations of auditory-nerve neurons is the objective.
Meissner mechanism for the spin supercurrent and interplay between quantum phase transition and spin transport in the frustrated Heisenberg model

NASA Astrophysics Data System (ADS)

Lima, Leonardo S.

2018-04-01

We have propose the Meissner mechanism for the spin supercurrent in quantum spin systems. Besides, we study the behavior of the AC spin conductivity in neighborhood of quantum phase transition in a frustrated spin model such as the antiferromagnet in the union jack lattice with single ion anisotropy at T = 0 . We investigate the spin conductivity for this model that presents exchange interactions J1 and J2 . Our results show a single peak for the conductivity with the height varying with the behavior of critical anisotropy Dc with J2 . We obtain the conductivity tending to zero in the limit ω → 0 .
Phase-factor-dependent symmetries and quantum phases in a three-level cavity QED system.

PubMed

Fan, Jingtao; Yu, Lixian; Chen, Gang; Jia, Suotang

2016-05-03

Unlike conventional two-level particles, three-level particles may support some unitary-invariant phase factors when they interact coherently with a single-mode quantized light field. To gain a better understanding of light-matter interaction, it is thus necessary to explore the phase-factor-dependent physics in such a system. In this report, we consider the collective interaction between degenerate V-type three-level particles and a single-mode quantized light field, whose different components are labeled by different phase factors. We mainly establish an important relation between the phase factors and the symmetry or symmetry-broken physics. Specifically, we find that the phase factors affect dramatically the system symmetry. When these symmetries are breaking separately, rich quantum phases emerge. Finally, we propose a possible scheme to experimentally probe the predicted physics of our model. Our work provides a way to explore phase-factor-induced nontrivial physics by introducing additional particle levels.
Effect of heterogeneity and shape on optical properties of urban dust based on three-dimensional modeling of individual particles

NASA Astrophysics Data System (ADS)

Conny, Joseph M.; Ortiz-Montalvo, Diana L.

2017-09-01

We show the effect of composition heterogeneity and shape on the optical properties of urban dust particles based on the three-dimensional spatial and optical modeling of individual particles. Using scanning electron microscopy/energy-dispersive X-ray spectroscopy (SEM/EDX) and focused ion beam (FIB) tomography, spatial models of particles collected in Los Angeles and Seattle accounted for surface features, inclusions, and voids, as well as overall composition and shape. Using voxel data from the spatial models and the discrete dipole approximation method, we report extinction efficiency, asymmetry parameter, and single-scattering albedo (SSA). Test models of the particles involved (1) the particle's actual morphology as a single homogeneous phase and (2) simple geometric shapes (spheres, cubes, and tetrahedra) depicting composition homogeneity or heterogeneity (with multiple spheres). Test models were compared with a reference model, which included the particle's actual morphology and heterogeneity based on SEM/EDX and FIB tomography. Results show particle shape to be a more important factor for determining extinction efficiency than accounting for individual phases in a particle, regardless of whether absorption or scattering dominated. In addition to homogeneous models with the particles' actual morphology, tetrahedral geometric models provided better extinction accuracy than spherical or cubic models. For iron-containing heterogeneous particles, the asymmetry parameter and SSA varied with the composition of the iron-containing phase, even if the phase was <10% of the particle volume. For particles containing loosely held phases with widely varying refractive indexes (i.e., exhibiting "severe" heterogeneity), only models that account for heterogeneity may sufficiently determine SSA.
Prediction of successful memory encoding based on single-trial rhinal and hippocampal phase information.

PubMed

Höhne, Marlene; Jahanbekam, Amirhossein; Bauckhage, Christian; Axmacher, Nikolai; Fell, Juergen

2016-10-01

Mediotemporal EEG characteristics are closely related to long-term memory formation. It has been reported that rhinal and hippocampal EEG measures reflecting the stability of phases across trials are better suited to distinguish subsequently remembered from forgotten trials than event-related potentials or amplitude-based measures. Theoretical models suggest that the phase of EEG oscillations reflects neural excitability and influences cellular plasticity. However, while previous studies have shown that the stability of phase values across trials is indeed a relevant predictor of subsequent memory performance, the effect of absolute single-trial phase values has been little explored. Here, we reanalyzed intracranial EEG recordings from the mediotemporal lobe of 27 epilepsy patients performing a continuous word recognition paradigm. Two-class classification using a support vector machine was performed to predict subsequently remembered vs. forgotten trials based on individually selected frequencies and time points. We demonstrate that it is possible to successfully predict single-trial memory formation in the majority of patients (23 out of 27) based on only three single-trial phase values given by a rhinal phase, a hippocampal phase, and a rhinal-hippocampal phase difference. Overall classification accuracy across all subjects was 69.2% choosing frequencies from the range between 0.5 and 50Hz and time points from the interval between -0.5s and 2s. For 19 patients, above chance prediction of subsequent memory was possible even when choosing only time points from the prestimulus interval (overall accuracy: 65.2%). Furthermore, prediction accuracies based on single-trial phase surpassed those based on single-trial power. Our results confirm the functional relevance of mediotemporal EEG phase for long-term memory operations and suggest that phase information may be utilized for memory enhancement applications based on deep brain stimulation. Copyright © 2016 Elsevier Inc. All rights reserved.
Calculations of single crystal elastic constants for yttria partially stabilised zirconia from powder diffraction data

NASA Astrophysics Data System (ADS)

Lunt, A. J. G.; Xie, M. Y.; Baimpas, N.; Zhang, S. Y.; Kabra, S.; Kelleher, J.; Neo, T. K.; Korsunsky, A. M.

2014-08-01

Yttria Stabilised Zirconia (YSZ) is a tough, phase-transforming ceramic that finds use in a wide range of commercial applications from dental prostheses to thermal barrier coatings. Micromechanical modelling of phase transformation can deliver reliable predictions in terms of the influence of temperature and stress. However, models must rely on the accurate knowledge of single crystal elastic stiffness constants. Some techniques for elastic stiffness determination are well-established. The most popular of these involve exploiting frequency shifts and phase velocities of acoustic waves. However, the application of these techniques to YSZ can be problematic due to the micro-twinning observed in larger crystals. Here, we propose an alternative approach based on selective elastic strain sampling (e.g., by diffraction) of grain ensembles sharing certain orientation, and the prediction of the same quantities by polycrystalline modelling, for example, the Reuss or Voigt average. The inverse problem arises consisting of adjusting the single crystal stiffness matrix to match the polycrystal predictions to observations. In the present model-matching study, we sought to determine the single crystal stiffness matrix of tetragonal YSZ using the results of time-of-flight neutron diffraction obtained from an in situ compression experiment and Finite Element modelling of the deformation of polycrystalline tetragonal YSZ. The best match between the model predictions and observations was obtained for the optimized stiffness values of C11 = 451, C33 = 302, C44 = 39, C66 = 82, C12 = 240, and C13 = 50 (units: GPa). Considering the significant amount of scatter in the published literature data, our result appears reasonably consistent.
TANK48 CFD MODELING ANALYSIS

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

Lee, S.

2011-05-17

The process of recovering the waste in storage tanks at the Savannah River Site (SRS) typically requires mixing the contents of the tank to ensure uniformity of the discharge stream. Mixing is accomplished with one to four dual-nozzle slurry pumps located within the tank liquid. For the work, a Tank 48 simulation model with a maximum of four slurry pumps in operation has been developed to estimate flow patterns for efficient solid mixing. The modeling calculations were performed by using two modeling approaches. One approach is a single-phase Computational Fluid Dynamics (CFD) model to evaluate the flow patterns and qualitativemore » mixing behaviors for a range of different modeling conditions since the model was previously benchmarked against the test results. The other is a two-phase CFD model to estimate solid concentrations in a quantitative way by solving the Eulerian governing equations for the continuous fluid and discrete solid phases over the entire fluid domain of Tank 48. The two-phase results should be considered as the preliminary scoping calculations since the model was not validated against the test results yet. A series of sensitivity calculations for different numbers of pumps and operating conditions has been performed to provide operational guidance for solids suspension and mixing in the tank. In the analysis, the pump was assumed to be stationary. Major solid obstructions including the pump housing, the pump columns, and the 82 inch central support column were included. The steady state and three-dimensional analyses with a two-equation turbulence model were performed with FLUENT{trademark} for the single-phase approach and CFX for the two-phase approach. Recommended operational guidance was developed assuming that local fluid velocity can be used as a measure of sludge suspension and spatial mixing under single-phase tank model. For quantitative analysis, a two-phase fluid-solid model was developed for the same modeling conditions as the single-phase model. The modeling results show that the flow patterns driven by four pump operation satisfy the solid suspension requirement, and the average solid concentration at the plane of the transfer pump inlet is about 12% higher than the tank average concentrations for the 70 inch tank level and about the same as the tank average value for the 29 inch liquid level. When one of the four pumps is not operated, the flow patterns are satisfied with the minimum suspension velocity criterion. However, the solid concentration near the tank bottom is increased by about 30%, although the average solid concentrations near the transfer pump inlet have about the same value as the four-pump baseline results. The flow pattern results show that although the two-pump case satisfies the minimum velocity requirement to suspend the sludge particles, it provides the marginal mixing results for the heavier or larger insoluble materials such as MST and KTPB particles. The results demonstrated that when more than one jet are aiming at the same position of the mixing tank domain, inefficient flow patterns are provided due to the highly localized momentum dissipation, resulting in inactive suspension zone. Thus, after completion of the indexed solids suspension, pump rotations are recommended to avoid producing the nonuniform flow patterns. It is noted that when tank liquid level is reduced from the highest level of 70 inches to the minimum level of 29 inches for a given number of operating pumps, the solid mixing efficiency becomes better since the ratio of the pump power to the mixing volume becomes larger. These results are consistent with the literature results.« less
The Effect of Electronic Structure on the Phases Present in High Entropy Alloys

PubMed Central

Leong, Zhaoyuan; Wróbel, Jan S.; Dudarev, Sergei L.; Goodall, Russell; Todd, Iain; Nguyen-Manh, Duc

2017-01-01

Multicomponent systems, termed High Entropy Alloys (HEAs), with predominantly single solid solution phases are a current area of focus in alloy development. Although different empirical rules have been introduced to understand phase formation and determine what the dominant phases may be in these systems, experimental investigation has revealed that in many cases their structure is not a single solid solution phase, and that the rules may not accurately distinguish the stability of the phase boundaries. Here, a combined modelling and experimental approach that looks into the electronic structure is proposed to improve accuracy of the predictions of the majority phase. To do this, the Rigid Band model is generalised for magnetic systems in prediction of the majority phase most likely to be found. Good agreement is found when the predictions are confronted with data from experiments, including a new magnetic HEA system (CoFeNiV). This also includes predicting the structural transition with varying levels of constituent elements, as a function of the valence electron concentration, n, obtained from the integrated spin-polarised density of states. This method is suitable as a new predictive technique to identify compositions for further screening, in particular for magnetic HEAs. PMID:28059106
The Effect of Electronic Structure on the Phases Present in High Entropy Alloys.

PubMed

Leong, Zhaoyuan; Wróbel, Jan S; Dudarev, Sergei L; Goodall, Russell; Todd, Iain; Nguyen-Manh, Duc

2017-01-06

Multicomponent systems, termed High Entropy Alloys (HEAs), with predominantly single solid solution phases are a current area of focus in alloy development. Although different empirical rules have been introduced to understand phase formation and determine what the dominant phases may be in these systems, experimental investigation has revealed that in many cases their structure is not a single solid solution phase, and that the rules may not accurately distinguish the stability of the phase boundaries. Here, a combined modelling and experimental approach that looks into the electronic structure is proposed to improve accuracy of the predictions of the majority phase. To do this, the Rigid Band model is generalised for magnetic systems in prediction of the majority phase most likely to be found. Good agreement is found when the predictions are confronted with data from experiments, including a new magnetic HEA system (CoFeNiV). This also includes predicting the structural transition with varying levels of constituent elements, as a function of the valence electron concentration, n, obtained from the integrated spin-polarised density of states. This method is suitable as a new predictive technique to identify compositions for further screening, in particular for magnetic HEAs.
Simplified paraboloid phase model-based phase tracker for demodulation of a single complex fringe.

PubMed

He, A; Deepan, B; Quan, C

2017-09-01

A regularized phase tracker (RPT) is an effective method for demodulation of single closed-fringe patterns. However, lengthy calculation time, specially designed scanning strategy, and sign-ambiguity problems caused by noise and saddle points reduce its effectiveness, especially for demodulating large and complex fringe patterns. In this paper, a simplified paraboloid phase model-based regularized phase tracker (SPRPT) is proposed. In SPRPT, first and second phase derivatives are pre-determined by the density-direction-combined method and discrete higher-order demodulation algorithm, respectively. Hence, cost function is effectively simplified to reduce the computation time significantly. Moreover, pre-determined phase derivatives improve the robustness of the demodulation of closed, complex fringe patterns. Thus, no specifically designed scanning strategy is needed; nevertheless, it is robust against the sign-ambiguity problem. The paraboloid phase model also assures better accuracy and robustness against noise. Both the simulated and experimental fringe patterns (obtained using electronic speckle pattern interferometry) are used to validate the proposed method, and a comparison of the proposed method with existing RPT methods is carried out. The simulation results show that the proposed method has achieved the highest accuracy with less computational time. The experimental result proves the robustness and the accuracy of the proposed method for demodulation of noisy fringe patterns and its feasibility for static and dynamic applications.
Phase diagram of the frustrated J 1 ‑ J 2 transverse field Ising model on the square lattice

NASA Astrophysics Data System (ADS)

Sadrzadeh, M.; Langari, A.

2018-03-01

We study the zero-temperature phase diagram of transverse field Ising model on the J 1 ‑ J 2 square lattice. In zero magnetic field, the model has a classical Néel phase for J 2/J 1 < 0.5 and an antiferromagnetic collinear phase for J 2/J 1 > 0.5. We incorporate harmonic fluctuations by using linear spin wave theory (LSWT) with single spin flip excitations above a magnetic order background and obtain the phase diagram of the model in this approximation. We find that harmonic quantum fluctuations of LSWT fail to lift the large degeneracy at J 2/J 1 = 0.5 and exhibit some inconsistent regions on the phase diagram. However, we show that anharmonic fluctuations of cluster operator approach (COA) resolve the inconsistency of the LSWT, which reveals a string-valence bond solid ordered phase for the highly frustrated region.
Van der Waals model for phase transitions in thermoresponsive surface films.

PubMed

McCoy, John D; Curro, John G

2009-05-21

Phase transitions in polymeric surface films are studied with a simple model based on the van der Waals equation of state. Each chain is modeled by a single bead attached to the surface by an entropic-Hooke's law spring. The surface coverage is controlled by adjusting the chemical potential, and the equilibrium density profile is calculated with density functional theory. The interesting feature of this model is the multivalued nature of the density profile seen at low temperature. This van der Waals loop behavior is resolved with a Maxwell construction between a high-density phase near the wall and a low-density phase in a "vertical" phase transition. Signatures of the phase transition in experimentally measurable quantities are then found. Numerical calculations are presented for isotherms of surface pressure, for the Poisson ratio, and for the swelling ratio.
Phase-field-based multiple-relaxation-time lattice Boltzmann model for incompressible multiphase flows.

PubMed

Liang, H; Shi, B C; Guo, Z L; Chai, Z H

2014-05-01

In this paper, a phase-field-based multiple-relaxation-time lattice Boltzmann (LB) model is proposed for incompressible multiphase flow systems. In this model, one distribution function is used to solve the Chan-Hilliard equation and the other is adopted to solve the Navier-Stokes equations. Unlike previous phase-field-based LB models, a proper source term is incorporated in the interfacial evolution equation such that the Chan-Hilliard equation can be derived exactly and also a pressure distribution is designed to recover the correct hydrodynamic equations. Furthermore, the pressure and velocity fields can be calculated explicitly. A series of numerical tests, including Zalesak's disk rotation, a single vortex, a deformation field, and a static droplet, have been performed to test the accuracy and stability of the present model. The results show that, compared with the previous models, the present model is more stable and achieves an overall improvement in the accuracy of the capturing interface. In addition, compared to the single-relaxation-time LB model, the present model can effectively reduce the spurious velocity and fluctuation of the kinetic energy. Finally, as an application, the Rayleigh-Taylor instability at high Reynolds numbers is investigated.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Holder, Aaron M.; Siol, Sebastian; Ndione, Paul F.

Structure and composition control the behavior of materials. Isostructural alloying is historically an extremely successful approach for tuning materials properties, but it is often limited by binodal and spinodal decomposition, which correspond to the thermodynamic solubility limit and the stability against composition fluctuations, respectively. We show that heterostructural alloys can exhibit a markedly increased range of metastable alloy compositions between the binodal and spinodal lines, thereby opening up a vast phase space for novel homogeneous single-phase alloys. We distinguish two types of heterostructural alloys, that is, those between commensurate and incommensurate phases. Because of the structural transition around the criticalmore » composition, the properties change in a highly nonlinear or even discontinuous fashion, providing a mechanism for materials design that does not exist in conventional isostructural alloys. The novel phase diagram behavior follows from standard alloy models using mixing enthalpies from first-principles calculations. Furthermore, thin-film deposition demonstrates the viability of the synthesis of these metastable single-phase domains and validates the computationally predicted phase separation mechanism above the upper temperature bound of the nonequilibrium single-phase region.« less
Broadband microwave photonic fully tunable filter using a single heterogeneously integrated III-V/SOI-microdisk-based phase shifter.

PubMed

Lloret, Juan; Morthier, Geert; Ramos, Francisco; Sales, Salvador; Van Thourhout, Dries; Spuesens, Thijs; Olivier, Nicolas; Fédéli, Jean-Marc; Capmany, José

2012-05-07

A broadband microwave photonic phase shifter based on a single III-V microdisk resonator heterogeneously integrated on and coupled to a nanophotonic silicon-on-insulator waveguide is reported. The phase shift tunability is accomplished by modifying the effective index through carrier injection. A comprehensive semi-analytical model aiming at predicting its behavior is formulated and confirmed by measurements. Quasi-linear and continuously tunable 2π phase shifts at radiofrequencies greater than 18 GHz are experimentally demonstrated. The phase shifter performance is also evaluated when used as a key element in tunable filtering schemes. Distortion-free and wideband filtering responses with a tuning range of ~100% over the free spectral range are obtained.

Volume-Of-Fluid Simulation for Predicting Two-Phase Cooling in a Microchannel

NASA Astrophysics Data System (ADS)

Gorle, Catherine; Parida, Pritish; Houshmand, Farzad; Asheghi, Mehdi; Goodson, Kenneth

2014-11-01

Two-phase flow in microfluidic geometries has applications of increasing interest for next generation electronic and optoelectronic systems, telecommunications devices, and vehicle electronics. While there has been progress on comprehensive simulation of two-phase flows in compact geometries, validation of the results in different flow regimes should be considered to determine the predictive capabilities. In the present study we use the volume-of-fluid method to model the flow through a single micro channel with cross section 100 × 100 μm and length 10 mm. The channel inlet mass flux and the heat flux at the lower wall result in a subcooled boiling regime in the first 2.5 mm of the channel and a saturated flow regime further downstream. A conservation equation for the vapor volume fraction, and a single set of momentum and energy equations with volume-averaged fluid properties are solved. A reduced-physics phase change model represents the evaporation of the liquid and the corresponding heat loss, and the surface tension is accounted for by a source term in the momentum equation. The phase change model used requires the definition of a time relaxation parameter, which can significantly affect the solution since it determines the rate of evaporation. The results are compared to experimental data available from literature, focusing on the capability of the reduced-physics phase change model to predict the correct flow pattern, temperature profile and pressure drop.
Scalar Dissipation Modeling for Passive and Active Scalars: a priori Study Using Direct Numerical Simulation

NASA Technical Reports Server (NTRS)

Selle, L. C.; Bellan, Josette

2006-01-01

Transitional databases from Direct Numerical Simulation (DNS) of three-dimensional mixing layers for single-phase flows and two-phase flows with evaporation are analyzed and used to examine the typical hypothesis that the scalar dissipation Probability Distribution Function (PDF) may be modeled as a Gaussian. The databases encompass a single-component fuel and four multicomponent fuels, two initial Reynolds numbers (Re), two mass loadings for two-phase flows and two free-stream gas temperatures. Using the DNS calculated moments of the scalar-dissipation PDF, it is shown, consistent with existing experimental information on single-phase flows, that the Gaussian is a modest approximation of the DNS-extracted PDF, particularly poor in the range of the high scalar-dissipation values, which are significant for turbulent reaction rate modeling in non-premixed flows using flamelet models. With the same DNS calculated moments of the scalar-dissipation PDF and making a change of variables, a model of this PDF is proposed in the form of the (beta)-PDF which is shown to approximate much better the DNS-extracted PDF, particularly in the regime of the high scalar-dissipation values. Several types of statistical measures are calculated over the ensemble of the fourteen databases. For each statistical measure, the proposed (beta)-PDF model is shown to be much superior to the Gaussian in approximating the DNS-extracted PDF. Additionally, the agreement between the DNS-extracted PDF and the (beta)-PDF even improves when the comparison is performed for higher initial Re layers, whereas the comparison with the Gaussian is independent of the initial Re values. For two-phase flows, the comparison between the DNS-extracted PDF and the (beta)-PDF also improves with increasing free-stream gas temperature and mass loading. The higher fidelity approximation of the DNS-extracted PDF by the (beta)-PDF with increasing Re, gas temperature and mass loading bodes well for turbulent reaction rate modeling.
Multi-Flight-Phase GPS Navigation Filter Applications to Terrestrial Vehicle Navigation and Positioning

NASA Technical Reports Server (NTRS)

Park, Young W.; Montez, Moises N.

1994-01-01

A candidate onboard space navigation filter demonstrated excellent performance (less than 8 meter level RMS semi-major axis accuracy) in performing orbit determination of a low-Earth orbit Explorer satellite using single-frequency real GPS data. This performance is significantly better than predicted by other simulation studies using dual-frequency GPS data. The study results revealed the significance of two new modeling approaches evaluated in the work. One approach introduces a single-frequency ionospheric correction through pseudo-range and phase range averaging implementation. The other approach demonstrates a precise axis-dependent characterization of dynamic sample space uncertainty to compute a more accurate Kalman filter gain. Additionally, this navigation filter demonstrates a flexibility to accommodate both perturbational dynamic and observational biases required for multi-flight phase and inhomogeneous application environments. This paper reviews the potential application of these methods and the filter structure to terrestrial vehicle and positioning applications. Both the single-frequency ionospheric correction method and the axis-dependent state noise modeling approach offer valuable contributions in cost and accuracy improvements for terrestrial GPS receivers. With a modular design approach to either 'plug-in' or 'unplug' various force models, this multi-flight phase navigation filter design structure also provides a versatile GPS navigation software engine for both atmospheric and exo-atmospheric navigation or positioning use, thereby streamlining the flight phase or application-dependent software requirements. Thus, a standardized GPS navigation software engine that can reduce the development and maintenance cost of commercial GPS receivers is now possible.
Reanalysis of X-ray emission from M87. 2: The multiphase medium

NASA Technical Reports Server (NTRS)

Tsai, John C.

1994-01-01

In a previous paper, we showed that a single-phase model for the gas around M87 simultaneously explained most available X-ray data. Total enclosed masses derived from the model, however, fell well below the determinations from optical measurements. In this paper, we consider possible solutions to the inconsistency, including two multiphase medium models for the gas and the consequences of systematic errors of the Einstein Focal Point Crystal Spectrometer (FPCS). First, we find that when constraints from optical mass determinations are not considered, the best-fit model to the X-ray data is always the single-phase model. Multiphase models or consideration of FPCS systematic errors are required only when optical mass constraints are included. We find that the cooling time model of White & Sarazin adequately explains the available X-ray data and predicts total masses which agree with optical measurements. An ad hoc power-law multiphase does not. This shows both that the existence of mass dropping out of the ambient phase is consistent with the data and that the cooling-time model gives a reasonable parameterization of the dropout rate. Our derived mass accretion rate is similar to previous determinations. The implications of this result for cluster mass determinations in general are discussed. We then consider 'self absorbing' models where we assume that material dropping out of the ambient medium goes completely into X-ray absorbing gas. The resulting internal absorption is small compared to Galactic absorption at most radii. The models are therefore indistinguishable from models with only Galactic absorption. We finally show that it is alternatively possible to simultaneously fit optical mass measurements and X-ray data with a single-phase model if some of the observed FPCS line fluxes are too high by the maximum systematic error. This possiblity can be checked with new data from satellites such as ASCA.
Phase transition in conservative diffusive contact processes

NASA Astrophysics Data System (ADS)

Fiore, Carlos E.; de Oliveira, Mário J.

2004-10-01

We determine the phase diagrams of conservative diffusive contact processes by means of numerical simulations. These models are versions of the ordinary diffusive single-creation, pair-creation, and triplet-creation contact processes in which the particle number is conserved. The transition between the frozen and active states was determined by studying the system in the subcritical regime, and the nature of the transition, whether continuous or first order, was determined by looking at the fractal dimension of the critical cluster. For the single-creation model the transition remains continuous for any diffusion rate. For pair- and triplet-creation models, however, the transition becomes first order for high enough diffusion rate. Our results indicate that in the limit of infinite diffusion rate the jump in density equals 2/3 for the pair-creation model and 5/6 for the triplet-creation model.
A coupled ductile fracture phase-field model for crystal plasticity

NASA Astrophysics Data System (ADS)

Hernandez Padilla, Carlos Alberto; Markert, Bernd

2017-07-01

Nowadays crack initiation and evolution play a key role in the design of mechanical components. In the past few decades, several numerical approaches have been developed with the objective to predict these phenomena. The objective of this work is to present a simplified, nonetheless representative phenomenological model to predict the crack evolution of ductile fracture in single crystals. The proposed numerical approach is carried out by merging a conventional elasto-plastic crystal plasticity model and a phase-field model modified to predict ductile fracture. A two-dimensional initial boundary value problem of ductile fracture is introduced considering a single-crystal setup and Nickel-base superalloy material properties. The model is implemented into the finite element context subjected to a quasi-static uniaxial tension test. The results are then qualitatively analyzed and briefly compared to current benchmark results in the literature.
Design and performance analysis of generalised integrator-based controller for grid connected PV system

NASA Astrophysics Data System (ADS)

Saxena, Hemant; Singh, Alka; Rai, J. N.

2018-07-01

This article discusses the design and control of a single-phase grid-connected photovoltaic (PV) system. A 5-kW PV system is designed and integrated at the DC link of an H-bridge voltage source converter (VSC). The control of the VSC and switching logic is modelled using a generalised integrator (GI). The use of GI or its variants such as second-order GI have recently evolved for synchronisation and are being used as phase locked loop (PLL) circuits for grid integration. Design of PLL circuits and the use of transformations such as Park's and Clarke's are much easier in three-phase systems. But obtaining in-phase and quadrature components becomes an important and challenging issue in single-phase systems. This article addresses this issue and discusses an altogether different application of GI for the design of compensator based on the extraction of in-phase and quadrature components. GI is frequently used as a PLL; however, in this article, it is not used for synchronisation purposes. A new controller has been designed for a single-phase grid-connected PV system working as a single-phase active compensator. Extensive simulation results are shown for the working of integrated PV system under different atmospheric and operating conditions during daytime as well as night conditions. Experimental results showing the proposed control approach are presented and discussed for the hardware set-up developed in the laboratory.
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.
A micromechanical constitutive model for anisotropic cyclic deformation of super-elastic NiTi shape memory alloy single crystals

NASA Astrophysics Data System (ADS)

Yu, Chao; Kang, Guozheng; Kan, Qianhua

2015-09-01

Based on the experimental observations on the anisotropic cyclic deformation of super-elastic NiTi shape memory alloy single crystals done by Gall and Maier (2002), a crystal plasticity based micromechanical constitutive model is constructed to describe such anisotropic cyclic deformation. To model the internal stress caused by the unmatched inelastic deformation between the austenite and martensite phases on the plastic deformation of austenite phase, 24 induced martensite variants are assumed to be ellipsoidal inclusions with anisotropic elasticity and embedded in the austenite matrix. The homogeneous stress fields in the austenite matrix and each induced martensite variant are obtained by using the Mori-Tanaka homogenization method. Two different inelastic mechanisms, i.e., martensite transformation and transformation-induced plasticity, and their interactions are considered in the proposed model. Following the assumption of instantaneous domain growth (Cherkaoui et al., 1998), the Helmholtz free energy of a representative volume element of a NiTi shape memory single crystal is established and the thermodynamic driving forces of the internal variables are obtained from the dissipative inequalities. The capability of the proposed model to describe the anisotropic cyclic deformation of super-elastic NiTi single crystals is first verified by comparing the predicted results with the experimental ones. It is concluded that the proposed model can capture the main quantitative features observed in the experiments. And then, the proposed model is further used to predict the uniaxial and multiaxial transformation ratchetting of a NiTi single crystal.
RELAP-7 Progress Report: A Mathematical Model for 1-D Compressible, Single-Phase Flow Through a Branching Junction

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

Berry, R. A.

In the literature, the abundance of pipe network junction models, as well as inclusion of dissipative losses between connected pipes with loss coefficients, has been treated using the incompressible flow assumption of constant density. This approach is fundamentally, physically wrong for compressible flow with density change. This report introduces a mathematical modeling approach for general junctions in piping network systems for which the transient flows are compressible and single-phase. The junction could be as simple as a 1-pipe input and 1-pipe output with differing pipe cross-sectional areas for which a dissipative loss is necessary, or it could include an activemore » component, between an inlet pipe and an outlet pipe, such as a pump or turbine. In this report, discussion will be limited to the former. A more general branching junction connecting an arbitrary number of pipes with transient, 1-D compressible single-phase flows is also presented. These models will be developed in a manner consistent with the use of a general equation of state like, for example, the recent Spline-Based Table Look-up method [1] for incorporating the IAPWS-95 formulation [2] to give accurate and efficient calculations for properties for water and steam with RELAP-7 [3].« less
Confirming Time-reversal Symmetry of a Directed Percolation Phase Transition in a Model of Neutral Evolutionary Dynamics

NASA Astrophysics Data System (ADS)

Ordway, Stephen; King, Dawn; Bahar, Sonya

Reaction-diffusion processes, such as branching-coalescing random walks, can be used to describe the underlying dynamics of nonequilibrium phase transitions. In an agent-based, neutral model of evolutionary dynamics, we have previously shown that our system undergoes a continuous, nonequilibrium phase transition, from extinction to survival, as various system parameters were tuned. This model was shown to belong to the directed percolation (DP) universality class, by measuring the critical exponents corresponding to correlation length ξ⊥, correlation time ξ| |, and particle density β. The fourth critical exponent that defines the DP universality class is β', which measures the survival probability of growth from a single seed organism. Since DP universality is theorized to have time-reversal symmetry, it is assumed that β = β '. In order to confirm the existence of time-reversal symmetry in our model, we evaluate the system growth from a single asexually reproducing organism. Importantly, the critical exponent β' could be useful for comparison to experimental studies of phase transitions in biological systems, since observing growth of microbial populations is significantly easier than observing death. This research was supported by funding from the James S. McDonnell Foundation.
A microstructurally based model of solder joints under conditions of thermomechanical fatigue

NASA Astrophysics Data System (ADS)

Frear, D. R.; Burchett, S. N.; Rashid, M. M.

The thermomechanical fatigue failure of solder joints is increasingly becoming an important reliability issue. We present two computational methodologies that have been developed to predict the behavior of near eutectic Sn-Pb solder joints under fatigue conditions that are based on metallurgical tests as fundamental input for constitutive relations. The two-phase model mathematically predicts the heterogeneous coarsening behavior of near eutectic Sn-Pb solder. The finite element simulations from this model agree well with experimental thermomechanical fatigue tests. The simulations show that the presence of an initial heterogeneity in the solder microstructure could significantly degrade the fatigue lifetime. The single phase model is a computational technique that was developed to predict solder joint behavior using materials data for constitutive relation constants that could be determined through straightforward metallurgical experiments. A shear/torsion test sample was developed to impose strain in two different orientations. Materials constants were derived from these tests and the results showed an adequate fit to experimental results. The single-phase model could be very useful for conditions where microstructural evolution is not a dominant factor in fatigue.
Mechanism of Radiation Damage Reduction in Equiatomic Multicomponent Single Phase Alloys.

PubMed

Granberg, F; Nordlund, K; Ullah, Mohammad W; Jin, K; Lu, C; Bei, H; Wang, L M; Djurabekova, F; Weber, W J; Zhang, Y

2016-04-01

Recently a new class of metal alloys, of single-phase multicomponent composition at roughly equal atomic concentrations ("equiatomic"), have been shown to exhibit promising mechanical, magnetic, and corrosion resistance properties, in particular, at high temperatures. These features make them potential candidates for components of next-generation nuclear reactors and other high-radiation environments that will involve high temperatures combined with corrosive environments and extreme radiation exposure. In spite of a wide range of recent studies of many important properties of these alloys, their radiation tolerance at high doses remains unexplored. In this work, a combination of experimental and modeling efforts reveals a substantial reduction of damage accumulation under prolonged irradiation in single-phase NiFe and NiCoCr alloys compared to elemental Ni. This effect is explained by reduced dislocation mobility, which leads to slower growth of large dislocation structures. Moreover, there is no observable phase separation, ordering, or amorphization, pointing to a high phase stability of this class of alloys.
Mechanism of Radiation Damage Reduction in Equiatomic Multicomponent Single Phase Alloys

NASA Astrophysics Data System (ADS)

Granberg, F.; Nordlund, K.; Ullah, Mohammad W.; Jin, K.; Lu, C.; Bei, H.; Wang, L. M.; Djurabekova, F.; Weber, W. J.; Zhang, Y.

2016-04-01

Recently a new class of metal alloys, of single-phase multicomponent composition at roughly equal atomic concentrations ("equiatomic"), have been shown to exhibit promising mechanical, magnetic, and corrosion resistance properties, in particular, at high temperatures. These features make them potential candidates for components of next-generation nuclear reactors and other high-radiation environments that will involve high temperatures combined with corrosive environments and extreme radiation exposure. In spite of a wide range of recent studies of many important properties of these alloys, their radiation tolerance at high doses remains unexplored. In this work, a combination of experimental and modeling efforts reveals a substantial reduction of damage accumulation under prolonged irradiation in single-phase NiFe and NiCoCr alloys compared to elemental Ni. This effect is explained by reduced dislocation mobility, which leads to slower growth of large dislocation structures. Moreover, there is no observable phase separation, ordering, or amorphization, pointing to a high phase stability of this class of alloys.
Single-exposure quantitative phase imaging in color-coded LED microscopy.

PubMed

Lee, Wonchan; Jung, Daeseong; Ryu, Suho; Joo, Chulmin

2017-04-03

We demonstrate single-shot quantitative phase imaging (QPI) in a platform of color-coded LED microscopy (cLEDscope). The light source in a conventional microscope is replaced by a circular LED pattern that is trisected into subregions with equal area, assigned to red, green, and blue colors. Image acquisition with a color image sensor and subsequent computation based on weak object transfer functions allow for the QPI of a transparent specimen. We also provide a correction method for color-leakage, which may be encountered in implementing our method with consumer-grade LEDs and image sensors. Most commercially available LEDs and image sensors do not provide spectrally isolated emissions and pixel responses, generating significant error in phase estimation in our method. We describe the correction scheme for this color-leakage issue, and demonstrate improved phase measurement accuracy. The computational model and single-exposure QPI capability of our method are presented by showing images of calibrated phase samples and cellular specimens.
Mechanism of Radiation Damage Reduction in Equiatomic Multicomponent Single Phase Alloys

DOE PAGES

Granberg, F.; Nordlund, K.; Ullah, Mohammad W.; ...

2016-04-01

Recently a new class of metal alloys, of single-phase multicomponent composition at roughly equal atomic concentrations (“equiatomic”), have been shown to exhibit promising mechanical, magnetic, and corrosion resistance properties, in particular, at high temperatures. These features make them potential candidates for components of next-generation nuclear reactors and other high-radiation environments that will involve high temperatures combined with corrosive environments and extreme radiation exposure. In spite of a wide range of recent studies of many important properties of these alloys, their radiation tolerance at high doses remains unexplored. In this work, a combination of experimental and modeling efforts reveals a substantialmore » reduction of damage accumulation under prolonged irradiation in single-phase NiFe and NiCoCr alloys compared to elemental Ni. This effect is explained by reduced dislocation mobility, which leads to slower growth of large dislocation structures. Finally and moreover, there is no observable phase separation, ordering, or amorphization, pointing to a high phase stability of this class of alloys.« less
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.
Numerical schemes for anomalous diffusion of single-phase fluids in porous media

NASA Astrophysics Data System (ADS)

Awotunde, Abeeb A.; Ghanam, Ryad A.; Al-Homidan, Suliman S.; Tatar, Nasser-eddine

2016-10-01

Simulation of fluid flow in porous media is an indispensable part of oil and gas reservoir management. Accurate prediction of reservoir performance and profitability of investment rely on our ability to model the flow behavior of reservoir fluids. Over the years, numerical reservoir simulation models have been based mainly on solutions to the normal diffusion of fluids in the porous reservoir. Recently, however, it has been documented that fluid flow in porous media does not always follow strictly the normal diffusion process. Small deviations from normal diffusion, called anomalous diffusion, have been reported in some experimental studies. Such deviations can be caused by different factors such as the viscous state of the fluid, the fractal nature of the porous media and the pressure pulse in the system. In this work, we present explicit and implicit numerical solutions to the anomalous diffusion of single-phase fluids in heterogeneous reservoirs. An analytical solution is used to validate the numerical solution to the simple homogeneous case. The conventional wellbore flow model is modified to account for anomalous behavior. Example applications are used to show the behavior of wellbore and wellblock pressures during the single-phase anomalous flow of fluids in the reservoirs considered.
Quantum Phase Transition and Local Entanglement in Extended Hubbard Model on Anisotropic Triangular Lattices

NASA Astrophysics Data System (ADS)

Gao, Ji-Ming; Tang, Rong-An; Zhang, Zheng-Mei; Xue, Ju-Kui

2016-11-01

Using a mean-field theory based upon Hartree—Fock approximation, we theoretically investigate the competition between the metallic conductivity, spin order and charge order phases in a two-dimensional half-filled extended Hubbard model on anisotropic triangular lattice. Bond order, double occupancy, spin and charge structure factor are calculated, and the phase diagram of the extended Hubbard model is presented. It is found that the interplay of strong interaction and geometric frustration leads to exotic phases, the charge fluctuation is enhanced and three kinds of charge orders appear with the introduction of the nearest-neighbor interaction. Moreover, for different frustrations, it is also found that the antiferromagnetic insulating phase and nonmagnetic insulating phase are rapidly suppressed, and eventually disappeared as the ratio between the nearest-neighbor interaction and on-site interaction increases. This indicates that spin order is also sensitive to the nearest-neighbor interaction. Finally, the single-site entanglement is calculated and it is found that a clear discontinuous of the single-site entanglement appears at the critical points of the phase transition. Supported by National Natural Science Foundation of China under Grant Nos.11274255, 11475027 and 11305132, Specialized Research Fund for the Doctoral Program of Higher Education of China under Grant No. 20136203110001, and Technology of Northwest Normal University, China under Grants No. NWNU-LKQN-11-26
Phase transformations at interfaces: Observations from atomistic modeling

DOE PAGES

Frolov, T.; Asta, M.; Mishin, Y.

2016-10-01

Here, we review the recent progress in theoretical understanding and atomistic computer simulations of phase transformations in materials interfaces, focusing on grain boundaries (GBs) in metallic systems. Recently developed simulation approaches enable the search and structural characterization of GB phases in single-component metals and binary alloys, calculation of thermodynamic properties of individual GB phases, and modeling of the effect of the GB phase transformations on GB kinetics. Atomistic simulations demonstrate that the GB transformations can be induced by varying the temperature, loading the GB with point defects, or varying the amount of solute segregation. The atomic-level understanding obtained from suchmore » simulations can provide input for further development of thermodynamics theories and continuous models of interface phase transformations while simultaneously serving as a testing ground for validation of theories and models. They can also help interpret and guide experimental work in this field.« less

Objective quantification of the tinnitus decompensation by synchronization measures of auditory evoked single sweeps.

PubMed

Strauss, Daniel J; Delb, Wolfgang; D'Amelio, Roberto; Low, Yin Fen; Falkai, Peter

2008-02-01

Large-scale neural correlates of the tinnitus decompensation might be used for an objective evaluation of therapies and neurofeedback based therapeutic approaches. In this study, we try to identify large-scale neural correlates of the tinnitus decompensation using wavelet phase stability criteria of single sweep sequences of late auditory evoked potentials as synchronization stability measure. The extracted measure provided an objective quantification of the tinnitus decompensation and allowed for a reliable discrimination between a group of compensated and decompensated tinnitus patients. We provide an interpretation for our results by a neural model of top-down projections based on the Jastreboff tinnitus model combined with the adaptive resonance theory which has not been applied to model tinnitus so far. Using this model, our stability measure of evoked potentials can be linked to the focus of attention on the tinnitus signal. It is concluded that the wavelet phase stability of late auditory evoked potential single sweeps might be used as objective tinnitus decompensation measure and can be interpreted in the framework of the Jastreboff tinnitus model and adaptive resonance theory.
A reduced-order, single-bubble cavitation model with applications to therapeutic ultrasound

PubMed Central

Kreider, Wayne; Crum, Lawrence A.; Bailey, Michael R.; Sapozhnikov, Oleg A.

2011-01-01

Cavitation often occurs in therapeutic applications of medical ultrasound such as shock-wave lithotripsy (SWL) and high-intensity focused ultrasound (HIFU). Because cavitation bubbles can affect an intended treatment, it is important to understand the dynamics of bubbles in this context. The relevant context includes very high acoustic pressures and frequencies as well as elevated temperatures. Relative to much of the prior research on cavitation and bubble dynamics, such conditions are unique. To address the relevant physics, a reduced-order model of a single, spherical bubble is proposed that incorporates phase change at the liquid-gas interface as well as heat and mass transport in both phases. Based on the energy lost during the inertial collapse and rebound of a millimeter-sized bubble, experimental observations were used to tune and test model predictions. In addition, benchmarks from the published literature were used to assess various aspects of model performance. Benchmark comparisons demonstrate that the model captures the basic physics of phase change and diffusive transport, while it is quantitatively sensitive to specific model assumptions and implementation details. Given its performance and numerical stability, the model can be used to explore bubble behaviors across a broad parameter space relevant to therapeutic ultrasound. PMID:22088026
A reduced-order, single-bubble cavitation model with applications to therapeutic ultrasound.

PubMed

Kreider, Wayne; Crum, Lawrence A; Bailey, Michael R; Sapozhnikov, Oleg A

2011-11-01

Cavitation often occurs in therapeutic applications of medical ultrasound such as shock-wave lithotripsy (SWL) and high-intensity focused ultrasound (HIFU). Because cavitation bubbles can affect an intended treatment, it is important to understand the dynamics of bubbles in this context. The relevant context includes very high acoustic pressures and frequencies as well as elevated temperatures. Relative to much of the prior research on cavitation and bubble dynamics, such conditions are unique. To address the relevant physics, a reduced-order model of a single, spherical bubble is proposed that incorporates phase change at the liquid-gas interface as well as heat and mass transport in both phases. Based on the energy lost during the inertial collapse and rebound of a millimeter-sized bubble, experimental observations were used to tune and test model predictions. In addition, benchmarks from the published literature were used to assess various aspects of model performance. Benchmark comparisons demonstrate that the model captures the basic physics of phase change and diffusive transport, while it is quantitatively sensitive to specific model assumptions and implementation details. Given its performance and numerical stability, the model can be used to explore bubble behaviors across a broad parameter space relevant to therapeutic ultrasound.
Computer simulation of solder joint failure

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

Burchett, S.N.; Frear, D.R.; Rashid, M.M.

The thermomechanical fatigue failure of solder joints is increasingly becoming an important reliability issue for electronic packages. The purpose of this Laboratory Directed Research and Development (LDRD) project was to develop computational tools for simulating the behavior of solder joints under strain and temperature cycling, taking into account the microstructural heterogeneities that exist in as-solidified near eutectic Sn-Pb joints, as well as subsequent microstructural evolution. The authors present two computational constitutive models, a two-phase model and a single-phase model, that were developed to predict the behavior of near eutectic Sn-Pb solder joints under fatigue conditions. Unique metallurgical tests provide themore » fundamental input for the constitutive relations. The two-phase model mathematically predicts the heterogeneous coarsening behavior of near eutectic Sn-Pb solder. The finite element simulations with this model agree qualitatively with experimental thermomechanical fatigue tests. The simulations show that the presence of an initial heterogeneity in the solder microstructure could significantly degrade the fatigue lifetime. The single-phase model was developed to predict solder joint behavior using materials data for constitutive relation constants that could be determined through straightforward metallurgical experiments. Special thermomechanical fatigue tests were developed to give fundamental materials input to the models, and an in situ SEM thermomechanical fatigue test system was developed to characterize microstructural evolution and the mechanical behavior of solder joints during the test. A shear/torsion test sample was developed to impose strain in two different orientations. Materials constants were derived from these tests. The simulation results from the two-phase model showed good fit to the experimental test results.« less
SPM and XPM crosstalk in WDM systems with DRA: Channel spacing and attenuation effects

NASA Astrophysics Data System (ADS)

Morsy, Emadeldeen; Fayed, Heba A.; Abd El Aziz, Ahmed; Aly, Moustafa H.

2018-06-01

This paper presents a theoretical analysis of a closed formula for nonlinear crosstalk due to self-phase modulation (SPM) and cross phase modulation (XPM) in wavelength division multiplexing (WDM) systems. The influence of channel spacing and attenuation on the system behavior is modeled and investigated. The system under consideration is a standard single-mode fiber (SSMF) with a single-span distributed Raman amplifier (DRA) and is operating at 100 Gbps.
An investigation into the flow behavior of a single phase gas system and a two phase gas/liquid system in normal gravity with nonuniform heating from above

NASA Technical Reports Server (NTRS)

Disimile, Peter J.; Heist, Timothy J.

1990-01-01

The fluid behavior in normal gravity of a single phase gas system and a two phase gas/liquid system in an enclosed circular cylinder heated suddenly and nonuniformly from above was investigated. Flow visualization was used to obtain qualitative data on both systems. The use of thermochromatic liquid crystal particles as liquid phase flow tracers was evaluated as a possible means of simultaneously gathering both flow pattern and temperature gradient data for the two phase system. The results of the flow visualization experiments performed on both systems can be used to gain a better understanding of the behavior of such systems in a reduced gravity environment and aid in the verification of a numerical model of the system.
Fully Bayesian Estimation of Data from Single Case Designs

ERIC Educational Resources Information Center

Rindskopf, David

2013-01-01

Single case designs (SCDs) generally consist of a small number of short time series in two or more phases. The analysis of SCDs statistically fits in the framework of a multilevel model, or hierarchical model. The usual analysis does not take into account the uncertainty in the estimation of the random effects. This not only has an effect on the…
High temperature helical tubular receiver for concentrating solar power system

NASA Astrophysics Data System (ADS)

Hossain, Nazmul

In the field of conventional cleaner power generation technology, concentrating solar power systems have introduced remarkable opportunity. In a solar power tower, solar energy concentrated by the heliostats at a single point produces very high temperature. Falling solid particles or heat transfer fluid passing through that high temperature region absorbs heat to generate electricity. Increasing the residence time will result in more heat gain and increase efficiency. A novel design of solar receiver for both fluid and solid particle is approached in this paper which can increase residence time resulting in higher temperature gain in one cycle compared to conventional receivers. The helical tubular solar receiver placed at the focused sunlight region meets the higher outlet temperature and efficiency. A vertical tubular receiver is modeled and analyzed for single phase flow with molten salt as heat transfer fluid and alloy625 as heat transfer material. The result is compared to a journal paper of similar numerical and experimental setup for validating our modeling. New types of helical tubular solar receivers are modeled and analyzed with heat transfer fluid turbulent flow in single phase, and granular particle and air plug flow in multiphase to observe the temperature rise in one cyclic operation. The Discrete Ordinate radiation model is used for numerical analysis with simulation software Ansys Fluent 15.0. The Eulerian granular multiphase model is used for multiphase flow. Applying the same modeling parameters and boundary conditions, the results of vertical and helical receivers are compared. With a helical receiver, higher temperature gain of heat transfer fluid is achieved in one cycle for both single phase and multiphase flow compared to the vertical receiver. Performance is also observed by varying dimension of helical receiver.
Calculations of single crystal elastic constants for yttria partially stabilised zirconia from powder diffraction data

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

Lunt, A. J. G., E-mail: alexander.lunt@eng.ox.ac.uk; Xie, M. Y.; Baimpas, N.

2014-08-07

Yttria Stabilised Zirconia (YSZ) is a tough, phase-transforming ceramic that finds use in a wide range of commercial applications from dental prostheses to thermal barrier coatings. Micromechanical modelling of phase transformation can deliver reliable predictions in terms of the influence of temperature and stress. However, models must rely on the accurate knowledge of single crystal elastic stiffness constants. Some techniques for elastic stiffness determination are well-established. The most popular of these involve exploiting frequency shifts and phase velocities of acoustic waves. However, the application of these techniques to YSZ can be problematic due to the micro-twinning observed in larger crystals.more » Here, we propose an alternative approach based on selective elastic strain sampling (e.g., by diffraction) of grain ensembles sharing certain orientation, and the prediction of the same quantities by polycrystalline modelling, for example, the Reuss or Voigt average. The inverse problem arises consisting of adjusting the single crystal stiffness matrix to match the polycrystal predictions to observations. In the present model-matching study, we sought to determine the single crystal stiffness matrix of tetragonal YSZ using the results of time-of-flight neutron diffraction obtained from an in situ compression experiment and Finite Element modelling of the deformation of polycrystalline tetragonal YSZ. The best match between the model predictions and observations was obtained for the optimized stiffness values of C11 = 451, C33 = 302, C44 = 39, C66 = 82, C12 = 240, and C13 = 50 (units: GPa). Considering the significant amount of scatter in the published literature data, our result appears reasonably consistent.« less
Multiscale Modeling of PEEK Using Reactive Molecular Dynamics Modeling and Micromechanics

NASA Technical Reports Server (NTRS)

Pisani, William A.; Radue, Matthew; Chinkanjanarot, Sorayot; Bednarcyk, Brett A.; Pineda, Evan J.; King, Julia A.; Odegard, Gregory M.

2018-01-01

Polyether ether ketone (PEEK) is a high-performance, semi-crystalline thermoplastic that is used in a wide range of engineering applications, including some structural components of aircraft. The design of new PEEK-based materials requires a precise understanding of the multiscale structure and behavior of semi-crystalline PEEK. Molecular Dynamics (MD) modeling can efficiently predict bulk-level properties of single phase polymers, and micromechanics can be used to homogenize those phases based on the overall polymer microstructure. In this study, MD modeling was used to predict the mechanical properties of the amorphous and crystalline phases of PEEK. The hierarchical microstructure of PEEK, which combines the aforementioned phases, was modeled using a multiscale modeling approach facilitated by NASA's MSGMC. The bulk mechanical properties of semi-crystalline PEEK predicted using MD modeling and MSGMC agree well with vendor data, thus validating the multiscale modeling approach.
Phase transition in organic-inorganic perovskite (C9H19NH3)2 PbI2Br2 of long-chain alkylammonium

NASA Astrophysics Data System (ADS)

Abid, H.; Trigui, A.; Mlayah, A.; Hlil, E. K.; Abid, Y.

2012-01-01

Single perovskite slab alkylammonium lead iodides bromides (C9H19NH3)2PbI2Br2 is a new member of the family of hybrid organic-inorganic perovskite compounds. It exhibits a single structural phase transition with changes in the conformation of alkylammonium chains below room temperature. Differential scanning calorimetry (DSC), powder X-ray diffraction and FT-Raman spectroscopy were used to investigate this phase transition. These changes were characterized by a decreased conformational disorder of the methylene units of the alkyl chains. Phase transition was examined in light of the interesting optical properties of this material, as well as the relevance of this system as models for phase transitions in lipid bilayers.
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
Investigating gas-phase defect formation in late-stage solidification using a novel phase-field crystal alloy model

NASA Astrophysics Data System (ADS)

Wang, Nan; Smith, Nathan; Provatas, Nikolas

2017-09-01

We study late-stage solidification and the associated formation of defects in alloy materials using a novel model based on the phase-field-crystal technique. It is shown that our model successfully captures several important physical phenomena that occur in the late stages of solidification, including solidification shrinkage, liquid cavitation and microsegregation, all in a single framework. By examining the interplay of solidification shrinkage and solute segregation, this model reveals that the formation of gas pore defects at the late stage of solidification can lead to nucleation of second phase solid particles due to solute enrichment in the eutectic liquid driven by gas-phase nucleation and growth. We also predict a modification of the Gulliver-Scheil equation in the presence of gas pockets in confined liquid pools.
Topological Sachdev-Ye-Kitaev model

NASA Astrophysics Data System (ADS)

Zhang, Pengfei; Zhai, Hui

2018-05-01

In this Rapid Communication, we construct a large-N exactly solvable model to study the interplay between interaction and topology, by connecting the Sachdev-Ye-Kitaev (SYK) model with constant hopping. The hopping forms a band structure that can exhibit both topologically trivial and nontrivial phases. Starting from a topologically trivial insulator with zero Hall conductance, we show that the interaction can drive a phase transition to a topologically nontrivial insulator with quantized nonzero Hall conductance, and a single gapless Dirac fermion emerges when the interaction is fine tuned to the critical point. The finite temperature effect is also considered, and we show that the topological phase with a stronger interaction is less stable against temperature. Our model provides a concrete example to illustrate the interacting topological phases and phase transitions, and can shed light on similar problems in physical systems.
Phase-field crystal modeling of compositional domain formation in ultrathin films.

PubMed

Muralidharan, Srevatsan; Haataja, Mikko

2010-09-17

Bulk-immiscible binary systems often form stress-induced miscible alloy phases when deposited on a substrate. Both alloying and surface dislocation formation lead to the decrease of the elastic strain energy, and the competition between these two strain-relaxation mechanisms gives rise to the emergence of pseudomorphic compositional nanoscale domains, often coexisting with a partially coherent single phase. In this work, we develop a phase-field crystal model for compositional patterning in monolayer aggregates of binary metallic systems. We first demonstrate that the model naturally incorporates the competition between alloying and misfit dislocations, and quantify the effects of misfit and line tension on equilibrium domain size. Then, we quantitatively relate the parameters of the phase-field crystal model to a specific system, CoAg/Ru(0001), and demonstrate that the simulations capture experimentally observed morphologies.
Dynamical Reduction of the Dimensionality of Exchange Interactions and the "Spin-Liquid" Phase of κ-(BEDT-TTF)_{2}X.

PubMed

Powell, B J; Kenny, E P; Merino, J

2017-08-25

We show that the anisotropy of the effective spin model for the dimer Mott insulator phase of κ-(BEDT-TTF)_{2}X salts is dramatically different from that of the underlying tight-binding model. Intradimer quantum interference results in a model of coupled spin chains, where frustrated interchain interactions suppress long-range magnetic order. Thus, we argue, the "spin liquid" phase observed in some of these materials is a remnant of the Tomonaga-Luttinger physics of a single chain. This is consistent with previous experiments and resolves some outstanding puzzles.
Modeling of Nickel Hydroxide Electrode Containing Multiple Phases

NASA Technical Reports Server (NTRS)

Timmerman, P.; Ratnakumar, B. V.; Di Stefano, S.

1996-01-01

Mathematical models of alkaline rechargeable nickel cell systems (e.g., Ni-Cd, Ni-H(sub 2) and Ni-MH) have so far been developed based on the assumption that the active material at Ni electrode exists primarily in a single phase as Beta-NiOOH -- Beta-Ni(OH)(sub 2), despite enough experimental evidence for the second phase, i.e., Gamma-NiOOH -- Alpha-Ni(OH)(sub 2), especially under conditions of extended coverage. Here, we have incorporated the additional couple of Gamma-NiOOH -- Alpha-Ni(OH)(sub 2) into the modeling of the Ni electrode.
Phase demodulation method from a single fringe pattern based on correlation with a polynomial form.

PubMed

Robin, Eric; Valle, Valéry; Brémand, Fabrice

2005-12-01

The method presented extracts the demodulated phase from only one fringe pattern. Locally, this method approaches the fringe pattern morphology with the help of a mathematical model. The degree of similarity between the mathematical model and the real fringe is estimated by minimizing a correlation function. To use an optimization process, we have chosen a polynomial form such as a mathematical model. However, the use of a polynomial form induces an identification procedure with the purpose of retrieving the demodulated phase. This method, polynomial modulated phase correlation, is tested on several examples. Its performance, in terms of speed and precision, is presented on very noised fringe patterns.
Magnetic antenna excitation of whistler modes. III. Group and phase velocities of wave packets

NASA Astrophysics Data System (ADS)

Urrutia, J. M.; Stenzel, R. L.

2015-07-01

The properties of whistler modes excited by single and multiple magnetic loop antennas have been investigated in a large laboratory plasma. A single loop excites a wavepacket, but an array of loops across the ambient magnetic field B0 excites approximate plane whistler modes. The single loop data are measured. The array patterns are obtained by linear superposition of experimental data shifted in space and time, which is valid in a uniform plasma and magnetic field for small amplitude waves. Phasing the array changes the angle of wave propagation. The antennas are excited by an rf tone burst whose propagating envelope and oscillations yield group and phase velocities. A single loop antenna with dipole moment across B0 excites wave packets whose topology resembles m = 1 helicon modes, but without radial boundaries. The phase surfaces are conical with propagation characteristics of Gendrin modes. The cones form near the antenna with comparable parallel and perpendicular phase velocities. A physical model for the wave excitation is given. When a wave burst is applied to a phased antenna array, the wave front propagates both along the array and into the plasma forming a "whistler wing" at the front. These laboratory observations may be relevant for excitation and detection of whistler modes in space plasmas.
High-lying single-particle modes, chaos, correlational entropy, and doubling phase transition

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

Stoyanov, Chavdar; Zelevinsky, Vladimir

Highly excited single-particle states in nuclei are coupled with the excitations of a more complex character, first of all with collective phononlike modes of the core. In the framework of the quasiparticle-phonon model, we consider the structure of resulting complex configurations, using the 1k{sub 17/2} orbital in {sup 209}Pb as an example. Although, on the level of one- and two-phonon admixtures, the fully chaotic Gaussian orthogonal ensemble regime is not reached, the eigenstates of the model carry a significant degree of complexity that can be quantified with the aid of correlational invariant entropy. With artificially enhanced particle-core coupling, the systemmore » undergoes the doubling phase transition with the quasiparticle strength concentrated in two repelling peaks. This phase transition is clearly detected by correlational entropy.« less

Entanglement and quantum superposition induced by a single photon

NASA Astrophysics Data System (ADS)

Lü, Xin-You; Zhu, Gui-Lei; Zheng, Li-Li; Wu, Ying

2018-03-01

We predict the occurrence of single-photon-induced entanglement and quantum superposition in a hybrid quantum model, introducing an optomechanical coupling into the Rabi model. Originally, it comes from the photon-dependent quantum property of the ground state featured by the proposed hybrid model. It is associated with a single-photon-induced quantum phase transition, and is immune to the A2 term of the spin-field interaction. Moreover, the obtained quantum superposition state is actually a squeezed cat state, which can significantly enhance precision in quantum metrology. This work offers an approach to manipulate entanglement and quantum superposition with a single photon, which might have potential applications in the engineering of new single-photon quantum devices, and also fundamentally broaden the regime of cavity QED.
Pyroelectric effect in tryglicyne sulphate single crystals - Differential measurement method

NASA Astrophysics Data System (ADS)

Trybus, M.

2018-06-01

A simple mathematical model of the pyroelectric phenomenon was used to explain the electric response of the TGS (triglycine sulphate) samples in the linear heating process in ferroelectric and paraelectric phases. Experimental verification of mathematical model was realized. TGS single crystals were grown and four electrode samples were fabricated. Differential measurements of the pyroelectric response of two different regions of the samples were performed and the results were compared with data obtained from the model. Experimental results are in good agreement with model calculations.
A probabilistic cellular automata model for the dynamics of a population driven by logistic growth and weak Allee effect

NASA Astrophysics Data System (ADS)

Mendonça, J. R. G.

2018-04-01

We propose and investigate a one-parameter probabilistic mixture of one-dimensional elementary cellular automata under the guise of a model for the dynamics of a single-species unstructured population with nonoverlapping generations in which individuals have smaller probability of reproducing and surviving in a crowded neighbourhood but also suffer from isolation and dispersal. Remarkably, the first-order mean field approximation to the dynamics of the model yields a cubic map containing terms representing both logistic and weak Allee effects. The model has a single absorbing state devoid of individuals, but depending on the reproduction and survival probabilities can achieve a stable population. We determine the critical probability separating these two phases and find that the phase transition between them is in the directed percolation universality class of critical behaviour.
Directed polymers on a disordered tree with a defect subtree

NASA Astrophysics Data System (ADS)

Madras, Neal; Yıldırım, Gökhan

2018-04-01

We study the question of how the competition between bulk disorder and a localized microscopic defect affects the macroscopic behavior of a system in the directed polymer context at the free energy level. We consider the directed polymer model on a disordered d-ary tree and represent the localized microscopic defect by modifying the disorder distribution at each vertex in a single path (branch), or in a subtree, of the tree. The polymer must choose between following the microscopic defect and finding the best branches through the bulk disorder. We describe three possible phases, called the fully pinned, partially pinned and depinned phases. When the microscopic defect is associated only with a single branch, we compute the free energy and the critical curve of the model, and show that the partially pinned phase does not occur. When the localized microscopic defect is associated with a non-disordered regular subtree of the disordered tree, the picture is more complicated. We prove that all three phases are non-empty below a critical temperature, and that the partially pinned phase disappears above the critical temperature.
Effect of Phase Lag on Fluid Flow and Particle Dispersion in a Single Human Alveolus

NASA Astrophysics Data System (ADS)

Chhabra, Sudhaker; Prasad, Ajay

2007-11-01

The human lung can be divided into (1) the conducting airways, and (2) the acini. The acini are responsible for gas exchange and consist of alveoli and bronchioles. The acini are useful delivery sites for inhaled therapeutic aerosols. In normal lung function the alveolus expands and contracts in phase with the bronchiole airflow oscillation. Lung diseases such as emphysema compromise the elasticity of the lung. Consequently, the alveolus may not oscillate in-phase with the oscillating bronchiole airflow. We have previously studied flow and particle transport in an alveolus for in-phase flow. The current work focuses on measuring out-of-phase airflow patterns and particle transport in an in-vitro model of a single expanding/contracting human alveolus. The model consists of a transparent, elastic, oscillating alveolus (represented by a 5/6th hemisphere) attached to a rigid circular tube. Realistic tidal breathing conditions were achieved by matching Reynolds and Womersley numbers. Flow patterns were measured using PIV; these velocity maps were subsequently used to calculate particle transport and deposition on the alveolar wall.
Nanoscale multiphase phase field approach for stress- and temperature-induced martensitic phase transformations with interfacial stresses at finite strains

NASA Astrophysics Data System (ADS)

Basak, Anup; Levitas, Valery I.

2018-04-01

A thermodynamically consistent, novel multiphase phase field approach for stress- and temperature-induced martensitic phase transformations at finite strains and with interfacial stresses has been developed. The model considers a single order parameter to describe the austenite↔martensitic transformations, and another N order parameters describing N variants and constrained to a plane in an N-dimensional order parameter space. In the free energy model coexistence of three or more phases at a single material point (multiphase junction), and deviation of each variant-variant transformation path from a straight line have been penalized. Some shortcomings of the existing models are resolved. Three different kinematic models (KMs) for the transformation deformation gradient tensors are assumed: (i) In KM-I the transformation deformation gradient tensor is a linear function of the Bain tensors for the variants. (ii) In KM-II the natural logarithms of the transformation deformation gradient is taken as a linear combination of the natural logarithm of the Bain tensors multiplied with the interpolation functions. (iii) In KM-III it is derived using the twinning equation from the crystallographic theory. The instability criteria for all the phase transformations have been derived for all the kinematic models, and their comparative study is presented. A large strain finite element procedure has been developed and used for studying the evolution of some complex microstructures in nanoscale samples under various loading conditions. Also, the stresses within variant-variant boundaries, the sample size effect, effect of penalizing the triple junctions, and twinned microstructures have been studied. The present approach can be extended for studying grain growth, solidifications, para↔ferro electric transformations, and diffusive phase transformations.
Quasi-one-dimensional Hall physics in the Harper–Hofstadter–Mott model

NASA Astrophysics Data System (ADS)

Kozarski, Filip; Hügel, Dario; Pollet, Lode

2018-04-01

We study the ground-state phase diagram of the strongly interacting Harper–Hofstadter–Mott model at quarter flux on a quasi-one-dimensional lattice consisting of a single magnetic flux quantum in y-direction. In addition to superfluid phases with various density patterns, the ground-state phase diagram features quasi-one-dimensional analogs of fractional quantum Hall phases at fillings ν = 1/2 and 3/2, where the latter is only found thanks to the hopping anisotropy and the quasi-one-dimensional geometry. At integer fillings—where in the full two-dimensional system the ground-state is expected to be gapless—we observe gapped non-degenerate ground-states: at ν = 1 it shows an odd ‘fermionic’ Hall conductance, while the Hall response at ν = 2 consists of the transverse transport of a single particle–hole pair, resulting in a net zero Hall conductance. The results are obtained by exact diagonalization and in the reciprocal mean-field approximation.
Si-Ge-metal ternary phase diagram calculations

NASA Technical Reports Server (NTRS)

Fleurial, J. P.; Borshchevsky, A.

1990-01-01

Solution crystal growth and doping conditions of Si-Ge alloys used for high-temperature thermoelectric generation are determined here. Liquid-phase epitaxy (LPE) has been successfully employed recently to obtain single-crystalline homogeneous layers of Si-Ge solid solutions from a liquid metal solvent. Knowledge of Si-Ge-metallic solvent ternary phase diagrams is essential for further single-crystal growth development. Consequently, a thermodynamic equilibrium model was used to calculate the phase diagrams of the Si-Ge-M systems, including solid solubilities, where M is Al, Ga, In, Sn, Pb, Sb, or Bi. Good agreement between calculated liquidus and solidus data and experimental DTA and microprobe results was obtained. The results are used to compare the suitability of the different systems for crystal growth (by LPE-type process).
DOE Office of Scientific and Technical Information (OSTI.GOV)

Cai Xiaoming; Chen Shu; Wang Yupeng

The superfluid-to-Anderson-insulator transition of a strongly repulsive Bose gas is studied in a one-dimensional incommensurate optical lattice. In the hard-core limit, the Bose-Fermi mapping allows us to deal with the system using the exact numerical method. Based on the Aubry-Andre model, we exploit the phase transition of the hard-core boson system from the superfluid phase with all single-particle states extended to the Bose-glass phase with all the single-particle states being Anderson localized as the strength of the incommensurate potential increases relative to the hopping amplitude. We evaluate the superfluid fraction, one-particle density matrices, momentum distributions, the natural orbitals, and theirmore » occupations. All of these quantities show that there exists a superfluid-to-insulator phase transition in the system.« less
FAST TRACK COMMUNICATION: Spontaneous symmetry breaking in a bridge model fed by junctions

NASA Astrophysics Data System (ADS)

Popkov, Vladislav; Evans, Martin R.; Mukamel, David

2008-10-01

We introduce a class of 1D models mimicking a single-lane bridge with two junctions and two particle species driven in opposite directions. The model exhibits spontaneous symmetry breaking (SSB) for a range of injection/extraction rates. In this phase the steady-state currents of the two species are not equal. Moreover, there is a co-existence region in which the symmetry-broken phase co-exists with a symmetric phase. Along a path in which the extraction rate is varied, keeping the injection rate fixed and large, hysteresis takes place. The mean-field phase diagram is calculated and supporting Monte Carlo simulations are presented. One of the transition lines exhibits a kink, a feature which cannot exist in transition lines of equilibrium phase transitions.
A Standalone Solar Photovoltaic Power Generation using Cuk Converter and Single Phase Inverter

NASA Astrophysics Data System (ADS)

Verma, A. K.; Singh, B.; Kaushika, S. C.

2013-03-01

In this paper, a standalone solar photovoltaic (SPV) power generating system is designed and modeled using a Cuk dc-dc converter and a single phase voltage source inverter (VSI). In this system, a dc-dc boost converter boosts a low voltage of a PV array to charge a battery at 24 V using a maximum power point tracking control algorithm. To step up a 24 V battery voltage to 360 V dc, a high frequency transformer based isolated dc-dc Cuk converter is used to reduce size, weight and losses. The dc voltage of 360 V is fed to a single phase VSI with unipolar switching to achieve a 230 Vrms, 50 Hz ac. The main objectives of this investigation are on efficiency improvement, reduction in cost, weight and size of the system and to provide an uninterruptible power to remotely located consumers. The complete SPV system is designed and it is modeled in MATLAB/Simulink. The simulated results are presented to demonstrate its satisfactory performance for validating the proposed design and control algorithm.
Characteristic investigation and control of a modular multilevel converter-based HVDC system under single-line-to-ground fault conditions

DOE PAGES

Shi, Xiaojie; Wang, Zhiqiang; Liu, Bo; ...

2014-05-16

This paper presents the analysis and control of a multilevel modular converter (MMC)-based HVDC transmission system under three possible single-line-to-ground fault conditions, with special focus on the investigation of their different fault characteristics. Considering positive-, negative-, and zero-sequence components in both arm voltages and currents, the generalized instantaneous power of a phase unit is derived theoretically according to the equivalent circuit model of the MMC under unbalanced conditions. Based on this model, a novel double-line frequency dc-voltage ripple suppression control is proposed. This controller, together with the negative-and zero-sequence current control, could enhance the overall fault-tolerant capability of the HVDCmore » system without additional cost. To further improve the fault-tolerant capability, the operation performance of the HVDC system with and without single-phase switching is discussed and compared in detail. Lastly, simulation results from a three-phase MMC-HVDC system generated with MATLAB/Simulink are provided to support the theoretical analysis and proposed control schemes.« less
Non-equilibrium phase transitions in a driven-dissipative system of interacting bosons

NASA Astrophysics Data System (ADS)

Young, Jeremy T.; Foss-Feig, Michael; Gorshkov, Alexey V.; Maghrebi, Mohammad F.

2017-04-01

Atomic, molecular, and optical systems provide unique opportunities to study simple models of driven-dissipative many-body quantum systems. Typically, one is interested in the resultant steady state, but the non-equilibrium nature of the physics involved presents several problems in understanding its behavior theoretically. Recently, it has been shown that in many of these models, it is possible to map the steady-state phase transitions onto classical equilibrium phase transitions. In the language of Keldysh field theory, this relation typically only becomes apparent after integrating out massive fields near the critical point, leaving behind a single massless field undergoing near-equilibrium dynamics. In this talk, we study a driven-dissipative XXZ bosonic model and discover critical points at which two fields become gapless. Each critical point separates three different possible phases: a uniform phase, an anti-ferromagnetic phase, and a limit cycle phase. Furthermore, a description in terms of an equilibrium phase transition does not seem possible, so the associated phase transitions appear to be inherently non-equilibrium.
Foundry fabricated photonic integrated circuit optical phase lock loop.

PubMed

Bałakier, Katarzyna; Fice, Martyn J; Ponnampalam, Lalitha; Graham, Chris S; Wonfor, Adrian; Seeds, Alwyn J; Renaud, Cyril C

2017-07-24

This paper describes the first foundry-based InP photonic integrated circuit (PIC) designed to work within a heterodyne optical phase locked loop (OPLL). The PIC and an external electronic circuit were used to phase-lock a single-line semiconductor laser diode to an incoming reference laser, with tuneable frequency offset from 4 GHz to 12 GHz. The PIC contains 33 active and passive components monolithically integrated on a single chip, fully demonstrating the capability of a generic foundry PIC fabrication model. The electronic part of the OPLL consists of commercially available RF components. This semi-packaged system stabilizes the phase and frequency of the integrated laser so that an absolute frequency, high-purity heterodyne signal can be generated when the OPLL is in operation, with phase noise lower than -100 dBc/Hz at 10 kHz offset from the carrier. This is the lowest phase noise level ever demonstrated by monolithically integrated OPLLs.
Mixed response and time-to-event endpoints for multistage single-arm phase II design.

PubMed

Lai, Xin; Zee, Benny Chung-Ying

2015-06-04

The objective of phase II cancer clinical trials is to determine if a treatment has sufficient activity to warrant further study. The efficiency of a conventional phase II trial design has been the object of considerable debate, particularly when the study regimen is characteristically cytostatic. At the time of development of a phase II cancer trial, we accumulated clinical experience regarding the time to progression (TTP) for similar classes of drugs and for standard therapy. By considering the time to event (TTE) in addition to the tumor response endpoint, a mixed-endpoint phase II design may increase the efficiency and ability of selecting promising cytotoxic and cytostatic agents for further development. We proposed a single-arm phase II trial design by extending the Zee multinomial method to fully use mixed endpoints with tumor response and the TTE. In this design, the dependence between the probability of response and the TTE outcome is modeled through a Gaussian copula. Given the type I and type II errors and the hypothesis as defined by the response rate (RR) and median TTE, such as median TTP, the decision rules for a two-stage phase II trial design can be generated. We demonstrated through simulation that the proposed design has a smaller expected sample size and higher early stopping probability under the null hypothesis than designs based on a single-response endpoint or a single TTE endpoint. The proposed design is more efficient for screening new cytotoxic or cytostatic agents and less likely to miss an effective agent than the alternative single-arm design.
Mechanism of generation of large (Ti,Nb,V)(C,N)-type precipitates in H13 + Nb tool steel

NASA Astrophysics Data System (ADS)

Xie, You; Cheng, Guo-guang; Chen, Lie; Zhang, Yan-dong; Yan, Qing-zhong

2016-11-01

The characteristics and generation mechanism of (Ti,Nb,V)(C,N) precipitates larger than 2 μm in Nb-containing H13 bar steel were studied. The results show that two types of (Ti,Nb,V)(C,N) phases exist—a Ti-V-rich one and an Nb-rich one—in the form of single or complex precipitates. The sizes of the single Ti-V-rich (Ti,Nb,V)(C,N) precipitates are mostly within 5 to 10 μm, whereas the sizes of the single Nb-rich precipitates are mostly 2-5 μm. The complex precipitates are larger and contain an inner Ti-V-rich layer and an outer Nb-rich layer. The compositional distribution of (Ti,Nb,V)(C,N) is concentrated. The average composition of the single Ti-V-rich phase is (Ti0.511V0.356Nb0.133)(C x N y ), whereas that for the single Nb-rich phase is (Ti0.061V0.263Nb0.676)(C x N y ). The calculation results based on the Scheil-Gulliver model in the Thermo-Calc software combining with the thermal stability experiments show that the large phases precipitate during the solidification process. With the development of solidification, the Ti-V-rich phase precipitates first and becomes homogeneous during the subsequent temperature reduction and heat treatment processes. The Nb-rich phase appears later.
A SEMI-ANALYTICAL MODEL OF VISIBLE-WAVELENGTH PHASE CURVES OF EXOPLANETS AND APPLICATIONS TO KEPLER- 7 B AND KEPLER- 10 B

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

Hu, Renyu; Demory, Brice-Olivier; Seager, Sara

2015-03-20

Kepler has detected numerous exoplanet transits by measuring stellar light in a single visible-wavelength band. In addition to detection, the precise photometry provides phase curves of exoplanets, which can be used to study the dynamic processes on these planets. However, the interpretation of these observations can be complicated by the fact that visible-wavelength phase curves can represent both thermal emission and scattering from the planets. Here we present a semi-analytical model framework that can be applied to study Kepler and future visible-wavelength phase curve observations of exoplanets. The model efficiently computes reflection and thermal emission components for both rocky andmore » gaseous planets, considering both homogeneous and inhomogeneous surfaces or atmospheres. We analyze the phase curves of the gaseous planet Kepler- 7 b and the rocky planet Kepler- 10 b using the model. In general, we find that a hot exoplanet’s visible-wavelength phase curve having a significant phase offset can usually be explained by two classes of solutions: one class requires a thermal hot spot shifted to one side of the substellar point, and the other class requires reflective clouds concentrated on the same side of the substellar point. Particularly for Kepler- 7 b, reflective clouds located on the west side of the substellar point can best explain its phase curve. The reflectivity of the clear part of the atmosphere should be less than 7% and that of the cloudy part should be greater than 80%, and the cloud boundary should be located at 11° ± 3° to the west of the substellar point. We suggest single-band photometry surveys could yield valuable information on exoplanet atmospheres and surfaces.« less
Critical Behavior of Spatial Evolutionary Game with Altruistic to Spiteful Preferences on Two-Dimensional Lattices

NASA Astrophysics Data System (ADS)

Yang, Bo; Li, Xiao-Teng; Chen, Wei; Liu, Jian; Chen, Xiao-Song

2016-10-01

Self-questioning mechanism which is similar to single spin-flip of Ising model in statistical physics is introduced into spatial evolutionary game model. We propose a game model with altruistic to spiteful preferences via weighted sums of own and opponent's payoffs. This game model can be transformed into Ising model with an external field. Both interaction between spins and the external field are determined by the elements of payoff matrix and the preference parameter. In the case of perfect rationality at zero social temperature, this game model has three different phases which are entirely cooperative phase, entirely non-cooperative phase and mixed phase. In the investigations of the game model with Monte Carlo simulation, two paths of payoff and preference parameters are taken. In one path, the system undergoes a discontinuous transition from cooperative phase to non-cooperative phase with the change of preference parameter. In another path, two continuous transitions appear one after another when system changes from cooperative phase to non-cooperative phase with the prefenrence parameter. The critical exponents v, β, and γ of two continuous phase transitions are estimated by the finite-size scaling analysis. Both continuous phase transitions have the same critical exponents and they belong to the same universality class as the two-dimensional Ising model. Supported by the National Natural Science Foundation of China under Grant Nos. 11121403 and 11504384
A model of jam formation in congested traffic

NASA Astrophysics Data System (ADS)

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

2017-12-01

We study a model of irreversible jam formation in congested vehicular traffic on an open segment of a single-lane road. The vehicles obey a stochastic discrete-time dynamics which is a limiting case of the generalized Totally Asymmetric Simple Exclusion Process. Its characteristic features are: (a) the existing clusters of jammed cars cannot break into parts; (b) when the leading vehicle of a cluster hops to the right, the whole cluster follows it deterministically, and (c) any two clusters of vehicles, occupying consecutive positions on the chain, may become nearest-neighbors and merge irreversibly into a single cluster. The above dynamics was used in a one-dimensional model of irreversible aggregation by Bunzarova and Pesheva [Phys. Rev. E 95, 052105 (2017)]. The model has three stationary non-equilibrium phases, depending on the probabilities of injection (α), ejection (β), and hopping (p) of particles: a many-particle one, MP, a completely jammed phase CF, and a mixed MP+CF phase. An exact expression for the stationary probability P(1) of a completely jammed configuration in the mixed MP+CF phase is obtained. The gap distribution between neighboring clusters of jammed cars at large lengths L of the road is studied. Three regimes of evolution of the width of a single gap are found: (i) growing gaps with length of the order O(L) when β > p; (ii) shrinking gaps with length of the order O(1) when β < p; and (iii) critical gaps at β = p, of the order O(L 1/2). These results are supported by extensive Monte Carlo calculations.
Comparison of Models for Spacer Grid Pressure Loss in Nuclear Fuel Bundles for One and Two-Phase Flows

NASA Astrophysics Data System (ADS)

Maskal, Alan B.

Spacer grids maintain the structural integrity of the fuel rods within fuel bundles of nuclear power plants. They can also improve flow characteristics within the nuclear reactor core. However, spacer grids add reactor coolant pressure losses, which require estimation and engineering into the design. Several mathematical models and computer codes were developed over decades to predict spacer grid pressure loss. Most models use generalized characteristics, measured by older, less precise equipment. The study of OECD/US-NRC BWR Full-Size Fine Mesh Bundle Tests (BFBT) provides updated and detailed experimental single and two-phase results, using technically advanced flow measurements for a wide range of boundary conditions. This thesis compares the predictions from the mathematical models to the BFBT experimental data by utilizing statistical formulae for accuracy and precision. This thesis also analyzes the effects of BFBT flow characteristics on spacer grids. No single model has been identified as valid for all flow conditions. However, some models' predictions perform better than others within a range of flow conditions, based on the accuracy and precision of the models' predictions. This study also demonstrates that pressure and flow quality have a significant effect on two-phase flow spacer grid models' biases.

Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles

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

Ulvestad, A.; Welland, M. J.; Collins, S. S. E.

2015-12-11

Phase transitions in reactive environments are crucially important in energy and information storage, catalysis and sensors. Nanostructuring active particles can yield faster charging/ discharging kinetics, increased lifespan and record catalytic activities. However, establishing the causal link between structure and function is challenging for nanoparticles, as ensemble measurements convolve intrinsic single-particle properties with sample diversity. Here we study the hydriding phase transformation in individual palladium nanocubes in situ using coherent X-ray diffractive imaging. The phase transformation dynamics, which involve the nucleation and propagation of a hydrogen-rich region, are dependent on absolute time (aging) and involve intermittent dynamics (avalanching). A hydrogen-rich surfacemore » layer dominates the crystal strain in the hydrogen-poor phase, while strain inversion occurs at the cube corners in the hydrogen-rich phase. A three-dimensional phase-field model is used to interpret the experimental results. In conclusion, our experimental and theoretical approach provides a general framework for designing and optimizing phase transformations for single nanocrystals in reactive environments.« less
Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles

NASA Astrophysics Data System (ADS)

Ulvestad, A.; Welland, M. J.; Collins, S. S. E.; Harder, R.; Maxey, E.; Wingert, J.; Singer, A.; Hy, S.; Mulvaney, P.; Zapol, P.; Shpyrko, O. G.

2015-12-01

Phase transitions in reactive environments are crucially important in energy and information storage, catalysis and sensors. Nanostructuring active particles can yield faster charging/discharging kinetics, increased lifespan and record catalytic activities. However, establishing the causal link between structure and function is challenging for nanoparticles, as ensemble measurements convolve intrinsic single-particle properties with sample diversity. Here we study the hydriding phase transformation in individual palladium nanocubes in situ using coherent X-ray diffractive imaging. The phase transformation dynamics, which involve the nucleation and propagation of a hydrogen-rich region, are dependent on absolute time (aging) and involve intermittent dynamics (avalanching). A hydrogen-rich surface layer dominates the crystal strain in the hydrogen-poor phase, while strain inversion occurs at the cube corners in the hydrogen-rich phase. A three-dimensional phase-field model is used to interpret the experimental results. Our experimental and theoretical approach provides a general framework for designing and optimizing phase transformations for single nanocrystals in reactive environments.
Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles

PubMed Central

Ulvestad, A.; Welland, M. J.; Collins, S. S. E.; Harder, R.; Maxey, E.; Wingert, J.; Singer, A.; Hy, S.; Mulvaney, P.; Zapol, P.; Shpyrko, O. G.

2015-01-01

Phase transitions in reactive environments are crucially important in energy and information storage, catalysis and sensors. Nanostructuring active particles can yield faster charging/discharging kinetics, increased lifespan and record catalytic activities. However, establishing the causal link between structure and function is challenging for nanoparticles, as ensemble measurements convolve intrinsic single-particle properties with sample diversity. Here we study the hydriding phase transformation in individual palladium nanocubes in situ using coherent X-ray diffractive imaging. The phase transformation dynamics, which involve the nucleation and propagation of a hydrogen-rich region, are dependent on absolute time (aging) and involve intermittent dynamics (avalanching). A hydrogen-rich surface layer dominates the crystal strain in the hydrogen-poor phase, while strain inversion occurs at the cube corners in the hydrogen-rich phase. A three-dimensional phase-field model is used to interpret the experimental results. Our experimental and theoretical approach provides a general framework for designing and optimizing phase transformations for single nanocrystals in reactive environments. PMID:26655832
Simulation results for a multirate mass transfer modell for immiscible displacement of two fluids in highly heterogeneous porous media

NASA Astrophysics Data System (ADS)

Tecklenburg, Jan; Neuweiler, Insa; Dentz, Marco; Carrera, Jesus; Geiger, Sebastian

2013-04-01

Flow processes in geotechnical applications do often take place in highly heterogeneous porous media, such as fractured rock. Since, in this type of media, classical modelling approaches are problematic, flow and transport is often modelled using multi-continua approaches. From such approaches, multirate mass transfer models (mrmt) can be derived to describe the flow and transport in the "fast" or mobile zone of the medium. The porous media is then modeled with one mobile zone and multiple immobile zones, where the immobile zones are connected to the mobile zone by single rate mass transfer. We proceed from a mrmt model for immiscible displacement of two fluids, where the Buckley-Leverett equation is expanded by a sink-source-term which is nonlocal in time. This sink-source-term models exchange with an immobile zone with mass transfer driven by capillary diffusion. This nonlinear diffusive mass transfer can be approximated for particular imbibition or drainage cases by a linear process. We present a numerical scheme for this model together with simulation results for a single fracture test case. We solve the mrmt model with the finite volume method and explicit time integration. The sink-source-term is transformed to multiple single rate mass transfer processes, as shown by Carrera et. al. (1998), to make it local in time. With numerical simulations we studied immiscible displacement in a single fracture test case. To do this we calculated the flow parameters using information about the geometry and the integral solution for two phase flow by McWorther and Sunnada (1990). Comparision to the results of the full two dimensional two phase flow model by Flemisch et. al. (2011) show good similarities of the saturation breakthrough curves. Carrera, J., Sanchez-Vila, X., Benet, I., Medina, A., Galarza, G., and Guimera, J.: On matrix diffusion: formulations, solution methods and qualitative effects, Hydrogeology Journal, 6, 178-190, 1998. Flemisch, B., Darcis, M., Erbertseder, K., Faigle, B., Lauser, A. et al.: Dumux: Dune for multi-{Phase, Component, Scale, Physics, ...} flow and transport in porous media, Advances in Water Resources, 34, 1102-1112, 2011. McWhorter, D. B., and Sunada, D. K.: Exact integral solutions for two-phase flow, Water Resources Research, 26(3), 399-413, 1990.
Testing cloud microphysics parameterizations in NCAR CAM5 with ISDAC and M-PACE observations

NASA Astrophysics Data System (ADS)

Liu, Xiaohong; Xie, Shaocheng; Boyle, James; Klein, Stephen A.; Shi, Xiangjun; Wang, Zhien; Lin, Wuyin; Ghan, Steven J.; Earle, Michael; Liu, Peter S. K.; Zelenyuk, Alla

2011-01-01

Arctic clouds simulated by the National Center for Atmospheric Research (NCAR) Community Atmospheric Model version 5 (CAM5) are evaluated with observations from the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Indirect and Semi-Direct Aerosol Campaign (ISDAC) and Mixed-Phase Arctic Cloud Experiment (M-PACE), which were conducted at its North Slope of Alaska site in April 2008 and October 2004, respectively. Model forecasts for the Arctic spring and fall seasons performed under the Cloud-Associated Parameterizations Testbed framework generally reproduce the spatial distributions of cloud fraction for single-layer boundary-layer mixed-phase stratocumulus and multilayer or deep frontal clouds. However, for low-level stratocumulus, the model significantly underestimates the observed cloud liquid water content in both seasons. As a result, CAM5 significantly underestimates the surface downward longwave radiative fluxes by 20-40 W m-2. Introducing a new ice nucleation parameterization slightly improves the model performance for low-level mixed-phase clouds by increasing cloud liquid water content through the reduction of the conversion rate from cloud liquid to ice by the Wegener-Bergeron-Findeisen process. The CAM5 single-column model testing shows that changing the instantaneous freezing temperature of rain to form snow from -5°C to -40°C causes a large increase in modeled cloud liquid water content through the slowing down of cloud liquid and rain-related processes (e.g., autoconversion of cloud liquid to rain). The underestimation of aerosol concentrations in CAM5 in the Arctic also plays an important role in the low bias of cloud liquid water in the single-layer mixed-phase clouds. In addition, numerical issues related to the coupling of model physics and time stepping in CAM5 are responsible for the model biases and will be explored in future studies.
Study of low-modulus biomedical β Ti-Nb-Zr alloys based on single-crystal elastic constants modeling.

PubMed

Wang, Xing; Zhang, Ligang; Guo, Ziyi; Jiang, Yun; Tao, Xiaoma; Liu, Libin

2016-09-01

CALPHAD-type modeling was used to describe the single-crystal elastic constants of the bcc solution phase in the ternary Ti-Nb-Zr system. The parameters in the model were evaluated based on the available experimental data and first-principle calculations. The composition-elastic properties of the full compositions were predicted and the results were in good agreement with the experimental data. It is found that the β phase can be divided into two regions which are separated by a critical dynamical stability composition line. The corresponding valence electron number per atom and the polycrystalline Young׳s modulus of the critical compositions are 4.04-4.17 and 30-40GPa respectively. Orientation dependencies of single-crystal Young׳s modulus show strong elastic anisotropy on the Ti-rich side. Alloys compositions with a Young׳s modulus along the <100> direction matching that of bone were found. The current results present an effective strategy for designing low modulus biomedical alloys using computational modeling. Copyright © 2016 Elsevier Ltd. All rights reserved.
Boiling water jet outflow from a thin nozzle: spatial modeling

NASA Astrophysics Data System (ADS)

Bolotnova, R. Kh.; Korobchinskaya, V. A.

2017-09-01

This study presents dual-temperature two-phase model for liquid-vapor mixture with account for evaporation and inter-phase heat transfer (taken in single-velocity single-pressure approximation). Simulation was performed using the shock-capturing method and moving Lagrangian grids. Analysis was performed for simulated and experimental values of nucleation frequency (for refining the initial number and radius of microbubbles) which affect the evaporation rate. Validity of 2D and 1D simulation was examined through comparison with experimental data. The peculiarities of the water-steam formation at the initial stage of outflow through a thin nozzle were studied for different initial equilibrium states of water for the conditions close to chosen experimental conditions.
Quantum matter bounce with a dark energy expanding phase

NASA Astrophysics Data System (ADS)

Colin, Samuel; Pinto-Neto, Nelson

2017-09-01

Analyzing quantum cosmological scenarios containing one scalar field with exponential potential, we have obtained a universe model which realizes a classical dust contraction from very large scales, the initial repeller of the model, and moves to a stiff matter contraction near the singularity, which is avoided due to a quantum bounce. The universe is then launched in a stiff matter expanding phase, which then moves to a dark energy era, finally returning to the dust expanding phase, the final attractor of the model. Hence, one has obtained a nonsingular cosmological model where a single scalar field can describe both the matter contracting phase of a bouncing model, necessary to give an almost scale invariant spectrum of scalar cosmological perturbations, and a transient expanding dark energy phase. As the universe is necessarily dust dominated in the far past, usual adiabatic vacuum initial conditions can be easily imposed in this era, avoiding the usual issues appearing when dark energy is considered in bouncing models.
Superradiant phase transition with graphene embedded in one dimensional optical cavity

NASA Astrophysics Data System (ADS)

Li, Benliang; Liu, Tao; Hewak, Daniel W.; Wang, Qi Jie

2018-01-01

We theoretically investigate the cavity QED of graphene embedded in an optical cavity under perpendicular magnetic field. We consider the coupling of cyclotron transition and a multimode cavity described by a multimode Dicke model. This model exhibits a superradiant quantum phase transition, which we describe exactly in an effective Hamiltonian approach. The complete excitation spectrum in both the normal phase and superradiant phase regimes is given. In contrast to the single mode case, multimode coupling of cavity photon and cyclotron transition can greatly reduce the critical vacuum Rabi frequency required for quantum phase transition, and dramatically enhance the superradiant emission by fast modulating the Hamiltonian. Our work paves a way to experimental explorations of quantum phase transitions in solid state systems.
Effect of atomic disorder on the magnetic phase separation.

PubMed

Groshev, A G; Arzhnikov, A K

2018-05-10

The effect of disorder on the magnetic phase separation between the antiferromagnetic and incommensurate helical [Formula: see text] and [Formula: see text] phases is investigated. The study is based on the quasi-two-dimensional single-band Hubbard model in the presence of atomic disorder (the [Formula: see text] Anderson-Hubbard model). A model of binary alloy disorder is considered, in which the disorder is determined by the difference in energy between the host and impurity atomic levels at a fixed impurity concentration. The problem is solved within the theory of functional integration in static approximation. Magnetic phase diagrams are obtained as functions of the temperature, the number of electrons and impurity concentration with allowance for phase separation. It is shown that for the model parameters chosen, the disorder caused by impurities whose atomic-level energy is greater than that of the host atomic levels, leads to qualitative changes in the phase diagram of the impurity-free system. In the opposite case, only quantitative changes occur. The peculiarities of the effect of disorder on the phase separation regions of the quasi-two-dimensional Hubbard model are discussed.
Phase-plane analysis of the totally asymmetric simple exclusion process with binding kinetics and switching between antiparallel lanes

PubMed Central

Kuan, Hui-Shun; Betterton, Meredith D.

2016-01-01

Motor protein motion on biopolymers can be described by models related to the totally asymmetric simple exclusion process (TASEP). Inspired by experiments on the motion of kinesin-4 motors on antiparallel microtubule overlaps, we analyze a model incorporating the TASEP on two antiparallel lanes with binding kinetics and lane switching. We determine the steady-state motor density profiles using phase-plane analysis of the steady-state mean field equations and kinetic Monte Carlo simulations. We focus on the density-density phase plane, where we find an analytic solution to the mean field model. By studying the phase-space flows, we determine the model’s fixed points and their changes with parameters. Phases previously identified for the single-lane model occur for low switching rate between lanes. We predict a multiple coexistence phase due to additional fixed points that appear as the switching rate increases: switching moves motors from the higher-density to the lower-density lane, causing local jamming and creating multiple domain walls. We determine the phase diagram of the model for both symmetric and general boundary conditions. PMID:27627345
Effect of atomic disorder on the magnetic phase separation

NASA Astrophysics Data System (ADS)

Groshev, A. G.; Arzhnikov, A. K.

2018-05-01

The effect of disorder on the magnetic phase separation between the antiferromagnetic and incommensurate helical and phases is investigated. The study is based on the quasi-two-dimensional single-band Hubbard model in the presence of atomic disorder (the Anderson–Hubbard model). A model of binary alloy disorder is considered, in which the disorder is determined by the difference in energy between the host and impurity atomic levels at a fixed impurity concentration. The problem is solved within the theory of functional integration in static approximation. Magnetic phase diagrams are obtained as functions of the temperature, the number of electrons and impurity concentration with allowance for phase separation. It is shown that for the model parameters chosen, the disorder caused by impurities whose atomic-level energy is greater than that of the host atomic levels, leads to qualitative changes in the phase diagram of the impurity-free system. In the opposite case, only quantitative changes occur. The peculiarities of the effect of disorder on the phase separation regions of the quasi-two-dimensional Hubbard model are discussed.
Model of chiral spin liquids with Abelian and non-Abelian topological phases

NASA Astrophysics Data System (ADS)

Chen, Jyong-Hao; Mudry, Christopher; Chamon, Claudio; Tsvelik, A. M.

2017-12-01

We present a two-dimensional lattice model for quantum spin-1/2 for which the low-energy limit is governed by four flavors of strongly interacting Majorana fermions. We study this low-energy effective theory using two alternative approaches. The first consists of a mean-field approximation. The second consists of a random phase approximation (RPA) for the single-particle Green's functions of the Majorana fermions built from their exact forms in a certain one-dimensional limit. The resulting phase diagram consists of two competing chiral phases, one with Abelian and the other with non-Abelian topological order, separated by a continuous phase transition. Remarkably, the Majorana fermions propagate in the two-dimensional bulk, as in the Kitaev model for a spin liquid on the honeycomb lattice. We identify the vison fields, which are mobile (they are static in the Kitaev model) domain walls propagating along only one of the two space directions.
Investigation on phase noise of the signal from a singly resonant optical parametric oscillator

NASA Astrophysics Data System (ADS)

Jinxia, Feng; Yuanji, Li; Kuanshou, Zhang

2018-04-01

The phase noise of the signal from a singly resonant optical parametric oscillator (SRO) is investigated theoretically and experimentally. An SRO based on periodically poled lithium niobate is built up that generates the signal with a maximum power of 5.2 W at 1.5 µm. The intensity noise of the signal reaches the shot noise level for frequencies above 5 MHz. The phase noise of the signal oscillates depending on the analysis frequency, and there are phase noise peaks above the shot noise level at the peak frequencies. To explain the phase noise feature of the signal, a semi-classical theoretical model of SROs including the guided acoustic wave Brillouin scattering effect within the nonlinear crystal is developed. The theoretical predictions are in good agreement with the experimental results.
Removing volatile contaminants from the unsaturated zone by inducing advective air-phase transport

USGS Publications Warehouse

Baehr, A.L.; Hoag, G.E.; Marley, M.C.

1989-01-01

Organic liquids inadvertently spilled and then distributed in the unsaturated zone can pose a long-term threat to ground water. Many of these substances have significant volatility, and thereby establish a premise for contaminant removal from the unsaturated zone by inducing advective air-phase transport with wells screened in the unsaturated zone. In order to focus attention on the rates of mass transfer from liquid to vapour phases, sand columns were partially saturated with gasoline and vented under steady air-flow conditions. The ability of an equilibrium-based transport model to predict the hydrocarbon vapor flux from the columns implies an efficient rate of local phase transfer for reasonably high air-phase velocities. Thus the success of venting remediations will depend primarily on the ability to induce an air-flow field in a heterogeneous unsaturated zone that will intersect the distributed contaminant. To analyze this aspect of the technique, a mathematical model was developed to predict radially symmetric air flow induced by venting from a single well. This model allows for in-situ determinations of air-phase permeability, which is the fundamental design parameter, and for the analysis of the limitations of a single well design. A successful application of the technique at a site once contaminated by gasoline supports the optimism derived from the experimental and modeliing phases of this study, and illustrates the well construction and field methods used to document the volatile contaminant recovery. ?? 1989.
Grain Floatation During Equiaxed Solidification of an Al-Cu Alloy in a Side-Cooled Cavity: Part II—Numerical Studies

NASA Astrophysics Data System (ADS)

Kumar, Arvind; Walker, Mike J.; Sundarraj, Suresh; Dutta, Pradip

2011-08-01

In this article, a single-phase, one-domain macroscopic model is developed for studying binary alloy solidification with moving equiaxed solid phase, along with the associated transport phenomena. In this model, issues such as thermosolutal convection, motion of solid phase relative to liquid and viscosity variations of the solid-liquid mixture with solid fraction in the mobile zone are taken into account. Using the model, the associated transport phenomena during solidification of Al-Cu alloys in a rectangular cavity are predicted. The results for temperature variation, segregation patterns, and eutectic fraction distribution are compared with data from in-house experiments. The model predictions compare well with the experimental results. To highlight the influence of solid phase movement on convection and final macrosegregation, the results of the current model are also compared with those obtained from the conventional solidification model with stationary solid phase. By including the independent movement of the solid phase into the fluid transport model, better predictions of macrosegregation, microstructure, and even shrinkage locations were obtained. Mechanical property prediction models based on microstructure will benefit from the improved accuracy of this model.
Liquid-liquid transition in the ST2 model of water

NASA Astrophysics Data System (ADS)

Debenedetti, Pablo

2013-03-01

We present clear evidence of the existence of a metastable liquid-liquid phase transition in the ST2 model of water. Using four different techniques (the weighted histogram analysis method with single-particle moves, well-tempered metadynamics with single-particle moves, weighted histograms with parallel tempering and collective particle moves, and conventional molecular dynamics), we calculate the free energy surface over a range of thermodynamic conditions, we perform a finite size scaling analysis for the free energy barrier between the coexisting liquid phases, we demonstrate the attainment of diffusive behavior, and we perform stringent thermodynamic consistency checks. The results provide conclusive evidence of a first-order liquid-liquid transition. We also show that structural equilibration in the sluggish low-density phase is attained over the time scale of our simulations, and that crystallization times are significantly longer than structural equilibration, even under deeply supercooled conditions. We place our results in the context of the theory of metastability.
Double point source W-phase inversion: Real-time implementation and automated model selection

USGS Publications Warehouse

Nealy, Jennifer; Hayes, Gavin

2015-01-01

Rapid and accurate characterization of an earthquake source is an extremely important and ever evolving field of research. Within this field, source inversion of the W-phase has recently been shown to be an effective technique, which can be efficiently implemented in real-time. An extension to the W-phase source inversion is presented in which two point sources are derived to better characterize complex earthquakes. A single source inversion followed by a double point source inversion with centroid locations fixed at the single source solution location can be efficiently run as part of earthquake monitoring network operational procedures. In order to determine the most appropriate solution, i.e., whether an earthquake is most appropriately described by a single source or a double source, an Akaike information criterion (AIC) test is performed. Analyses of all earthquakes of magnitude 7.5 and greater occurring since January 2000 were performed with extended analyses of the September 29, 2009 magnitude 8.1 Samoa earthquake and the April 19, 2014 magnitude 7.5 Papua New Guinea earthquake. The AIC test is shown to be able to accurately select the most appropriate model and the selected W-phase inversion is shown to yield reliable solutions that match published analyses of the same events.
Shadow mechanism and the opposition effect of brightness of atmosphereless celestial bodies

NASA Astrophysics Data System (ADS)

Morozhenko, A. V.; Vidmachenko, A. P.

2013-09-01

We consider the Irvine-Yanovistkii modification of the shadow model developed by Hapke for the opposition effect of brightness. The relation between the single scattering albedo ω and the transparency coefficient of particles κ is suggested to be used in the form κ = (1 - ω) n, which allows the number of unknowns in the model to be reduced to two parameters (the packing density of particles g and ω) and the single-scattering phase function Ξ(α). The analysis of spectrophotometric measurements of the moon and Mars showed that the data on the observed opposition effect and the changes in the color index with the phase angle α well agree if the values of n = 0.25 and g = 0.4 (the moon) and 0.6 (Mars) are assumed in calculations. When being applied to asteroids of several types, this method also yielded a satisfactory agreement. For the E-type asteroids, the sets of parameters are [g = 0.6, ω = 0.6, A g = 0.21, and q = 0.83] or [g = 0.3, ω = 0.4, A g = 0.15, and q = 0.71] under the Martian single-scattering phase function; for the M-type asteroids, it is [g = 0.4, ω ≤ 0.1, A g ≤ 0.075, and q ≤ 0.42] under the lunar single-scattering phase function; for the S-type asteroids, it is [g = 0.4, ω = 0.4, A g = 0.28, and q = 0.49] under the lunar single-scattering phase function; and for the C-type asteroids, it is [g = 0.6, ω ≤ 0.1, A g ≤ 0.075, and q = 0.43] under the modified lunar single-scattering phase function. The polarization measurements fulfilled by Gehrels et al. (1964) for the bright feature on the lunar surface, Copernicus (L = -20°08', φ = +10°11'), at a phase angle α = 1.6° revealed the deviations in the position of the polarization plane from that typical for the negative branch. They were 22° and 12° in the G and I filters, respectively. At the same time, the deviation was within the error (±3° in the U filter and for the dark feature Plato (L = -10°32', φ = +51°25'), which can be caused by the coherent mechanism of the formation of the polarization peak.
Theoretical and experimental investigation of turbulent premixed flames

NASA Astrophysics Data System (ADS)

Azzazy, M. T. F.

1982-11-01

A model is proposed to describe the propagation of a plane oblique flame into a turbulent flow of premixed reactants. The model incorporates a transport equation for the single or joint PDF's of passive scalers, in addition to the conservation equations of mass, momentum, energy and K.E. of turbulence. In the first phase of developing the model, the reaction mechanism was treated as a single step irreversible exothermic reaction. In this case, the PDF of the progress variable was parameterized and solved with the conservation equations. The second phase considered a two step reaction mechanism in an attempt to explore the role played by the radicals in the propagation of turbulent premixed flames. For both the two phases, the flame speed and angle are eigenvalues of the solution. Laser induced fluorescence spectroscopy (LIFS) was used to measure the PDF of OH concentration in a laboratory scale burner simulating the flame studied by the model. The premixed methane-air flame is stabilized on a rod flame holder downstream of a turbulence producing grid. The experimentally observed PDF's of the hydroxil radical concentration, and the statistical moments, used to describe and compare the PDF's and moments of the two reaction model.

A microstructurally based model of solder joints under conditions of thermomechanical fatigue

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

Frear, D.R.; Burchett, S.N.; Rashid, M.M.

The thermomechanical fatigue failure of solder joints in increasingly becoming an important reliability issue. In this paper we present two computational methodologies that have been developed to predict the behavior of near eutectic Sn-Pb solder joints under fatigue conditions that are based on metallurgical tests as fundamental input for constitutive relations. The two-phase model mathematically predicts the heterogeneous coarsening behavior of near eutectic Sn-Pb solder. The finite element simulations from this model agree well with experimental thermomechanical fatigue tests. The simulations show that the presence of an initial heterogeneity in the solder microstructure could significantly degrade the fatigue lifetime. Themore » single phase model is a computational technique that was developed to predict solder joint behavior using materials data for constitutive relation constants that could be determined through straightforward metallurgical experiments. A shear/torsion test sample was developed to impose strain in two different orientations. Materials constants were derived from these tests and the results showed an adequate fit to experimental results. The single-phase model could be very useful for conditions where microstructural evolution is not a dominant factor in fatigue.« less
Determination of the stacking fault density in highly defective single GaAs nanowires by means of coherent diffraction imaging

NASA Astrophysics Data System (ADS)

Davtyan, Arman; Biermanns, Andreas; Loffeld, Otmar; Pietsch, Ullrich

2016-06-01

Coherent x-ray diffraction imaging is used to measure diffraction patterns from individual highly defective nanowires, showing a complex speckle pattern instead of well-defined Bragg peaks. The approach is tested for nanowires of 500 nm diameter and 500 nm height predominately composed by zinc-blende (ZB) and twinned zinc-blende (TZB) phase domains. Phase retrieval is used to reconstruct the measured 2-dimensional intensity patterns recorded from single nanowires with 3.48 nm and 0.98 nm spatial resolution. Whereas the speckle amplitudes and distribution are perfectly reconstructed, no unique solution could be obtained for the phase structure. The number of phase switches is found to be proportional to the number of measured speckles and follows a narrow number distribution. Using data with 0.98 nm spatial resolution the mean number of phase switches is in reasonable agreement with estimates taken from TEM. However, since the resolved phase domain still is 3-4 times larger than a single GaAs bilayer we explain the non-ambiguous phase reconstruction by the fact that depending on starting phase and sequence of subroutines used during the phase retrieval the retrieved phase domain host a different sequence of randomly stacked bilayers. Modelling possible arrangements of bilayer sequences within a phase domain demonstrate that the complex speckle patterns measured can indeed be explained by the random arrangement of the ZB and TZB phase domains.
Self-referenced locking of optical coherence by single-detector electronic-frequency tagging

NASA Astrophysics Data System (ADS)

Shay, T. M.; Benham, Vincent; Spring, Justin; Ward, Benjamin; Ghebremichael, F.; Culpepper, Mark A.; Sanchez, Anthony D.; Baker, J. T.; Pilkington, D.; Berdine, Richard

2006-02-01

We report a novel coherent beam combining technique. This is the first actively phase locked optical fiber array that eliminates the need for a separate reference beam. In addition, only a single photodetector is required. The far-field central spot of the array is imaged onto the photodetector to produce the phase control loop signals. Each leg of the fiber array is phase modulated with a separate RF frequency, thus tagging the optical phase shift for each leg by a separate RF frequency. The optical phase errors for the individual array legs are separated in the electronic domain. In contrast with the previous active phase locking techniques, in our system the reference beam is spatially overlapped with all the RF modulated fiber leg beams onto a single detector. The phase shift between the optical wave in the reference leg and in the RF modulated legs is measured separately in the electronic domain and the phase error signal is feedback to the LiNbO 3 phase modulator for that leg to minimize the phase error for that leg relative to the reference leg. The advantages of this technique are 1) the elimination of the reference beam and beam combination optics and 2) the electronic separation of the phase error signals without any degradation of the phase locking accuracy. We will present the first theoretical model for self-referenced LOCSET and describe experimental results for a 3 x 3 array.
Accelerating non-contrast-enhanced MR angiography with inflow inversion recovery imaging by skipped phase encoding and edge deghosting (SPEED).

PubMed

Chang, Zheng; Xiang, Qing-San; Shen, Hao; Yin, Fang-Fang

2010-03-01

To accelerate non-contrast-enhanced MR angiography (MRA) with inflow inversion recovery (IFIR) with a fast imaging method, Skipped Phase Encoding and Edge Deghosting (SPEED). IFIR imaging uses a preparatory inversion pulse to reduce signals from static tissue, while leaving inflow arterial blood unaffected, resulting in sparse arterial vasculature on modest tissue background. By taking advantage of vascular sparsity, SPEED can be simplified with a single-layer model to achieve higher efficiency in both scan time reduction and image reconstruction. SPEED can also make use of information available in multiple coils for further acceleration. The techniques are demonstrated with a three-dimensional renal non-contrast-enhanced IFIR MRA study. Images are reconstructed by SPEED based on a single-layer model to achieve an undersampling factor of up to 2.5 using one skipped phase encoding direction. By making use of information available in multiple coils, SPEED can achieve an undersampling factor of up to 8.3 with four receiver coils. The reconstructed images generally have comparable quality as that of the reference images reconstructed from full k-space data. As demonstrated with a three-dimensional renal IFIR scan, SPEED based on a single-layer model is able to reduce scan time further and achieve higher computational efficiency than the original SPEED.
Universality class of non-Fermi-liquid behavior in mixed-valence systems

NASA Astrophysics Data System (ADS)

Zhang, Guang-Ming; Su, Zhao-Bin; Yu, Lu

1996-01-01

A generalized Anderson single-impurity model with off-site Coulomb interactions is derived from the extended three-band Hubbard model, originally proposed to describe the physics of the copper oxides. Using the Abelian bosonization technique and canonical transformations, an effective Hamiltonian is derived in the strong-coupling limit, which is essentially analogous to the Toulouse limit of the ordinary Kondo problem. In this limit, the effective Hamiltonian can be exactly solved, with a mixed-valence quantum critical point separating two different Fermi-liquid phases, i.e., the Kondo phase and the empty orbital phase. In the mixed-valence quantum critical regime, the local moment is only partially quenched and x-ray edge singularities are generated. Around the quantum critical point, a type of non-Fermi-liquid behavior is predicted with an extra specific heat Cimp~T1/4 and a singular spin susceptibility χimp~T-3/4. At the same time, the effective Hamiltonian under single occupancy is transformed into a resonant-level model, from which the correct Kondo physical properties (specific heat, spin susceptibility, and an enhanced Wilson ratio) are easily rederived. Finally, a brief discussion is given to relate these theoretical results to observations in UPdxCu5-x (x=1,1.5) alloys, which show single-impurity critical behavior consistent with our predictions.
Quantum model for electro-optical amplitude modulation.

PubMed

Capmany, José; Fernández-Pousa, Carlos R

2010-11-22

We present a quantum model for electro-optic amplitude modulation, which is built upon quantum models of the main photonic components that constitute the modulator, that is, the guided-wave beamsplitter and the electro-optic phase modulator and accounts for all the different available modulator structures. General models are developed both for single and dual drive configurations and specific results are obtained for the most common configurations currently employed. Finally, the operation with two-photon input for the control of phase-modulated photons and the important topic of multicarrier modulation are also addressed.
Thermodynamic theory of intrinsic finite-size effects in PbTiO3 nanocrystals. I. Nanoparticle size-dependent tetragonal phase stability

NASA Astrophysics Data System (ADS)

Akdogan, E. K.; Safari, A.

2007-03-01

We propose a phenomenological intrinsic finite-size effect model for single domain, mechanically free, and surface charge compensated ΔG-P ⃗s-ξ space, which describes the decrease in tetragonal phase stability with decreasing ξ rigorously.
Temperature induced phase transformations and negative electrocaloric effect in (Pb,La)(Zr,Sn,Ti)O3 antiferroelectric single crystal

NASA Astrophysics Data System (ADS)

Zhuo, Fangping; Li, Qiang; Yan, Qingfeng; Zhang, Yiling; Wu, Hong-Hui; Xi, Xiaoqing; Chu, Xiangcheng; Cao, Wenwu

2017-10-01

Temperature induced phase transitions and electrocaloric effect (ECE) of (Pb,La)(Zr,Sn,Ti)O3 (PLZST) single crystals have been comprehensively studied. Based on the in situ evolution of domain structures and dielectric properties of the PLZST crystals, the phase transitions during heating are in the sequence of orthorhombic antiferroelectric → rhombohedral ferroelectric → cubic paraelectric. Coexistence of the negative and positive ECEs has been achieved in the PLZST single crystals. A negative ECE value of -1.26 °C and enhanced electrocaloric strength of -0.21 K mm/kV near the Curie temperature have been obtained. A modified Landau model gives a satisfactory description of the experimentally observed unusual ECE. Moreover, a temperature-electric field phase diagram is also established based on theoretical analysis. Our results will help people understand better the electrocaloric family, particularly on the negative and/or positive effect in antiferroelectrics and ferroelectrics.
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.
High Fidelity, “Faster than Real-Time” Simulator for Predicting Power System Dynamic Behavior - Final Technical Report

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

Flueck, Alex

The “High Fidelity, Faster than RealTime Simulator for Predicting Power System Dynamic Behavior” was designed and developed by Illinois Institute of Technology with critical contributions from Electrocon International, Argonne National Laboratory, Alstom Grid and McCoy Energy. Also essential to the project were our two utility partners: Commonwealth Edison and AltaLink. The project was a success due to several major breakthroughs in the area of largescale power system dynamics simulation, including (1) a validated faster than real time simulation of both stable and unstable transient dynamics in a largescale positive sequence transmission grid model, (2) a threephase unbalanced simulation platform formore » modeling new grid devices, such as independently controlled singlephase static var compensators (SVCs), (3) the world’s first high fidelity threephase unbalanced dynamics and protection simulator based on Electrocon’s CAPE program, and (4) a firstofits kind implementation of a singlephase induction motor model with stall capability. The simulator results will aid power grid operators in their true time of need, when there is a significant risk of cascading outages. The simulator will accelerate performance and enhance accuracy of dynamics simulations, enabling operators to maintain reliability and steer clear of blackouts. In the longterm, the simulator will form the backbone of the newly conceived hybrid realtime protection and control architecture that will coordinate local controls, widearea measurements, widearea controls and advanced realtime prediction capabilities. The nation’s citizens will benefit in several ways, including (1) less down time from power outages due to the fasterthanrealtime simulator’s predictive capability, (2) higher levels of reliability due to the detailed dynamics plus protection simulation capability, and (3) more resiliency due to the three phase unbalanced simulator’s ability to model threephase and single phase networks and devices.« less
Modeling, Analysis, and Impedance Design of Battery Energy Stored Single-Phase Quasi-Z Source Photovoltaic Inverter System

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

Xue, Yaosuo

The battery energy stored quasi-Z-source (BES-qZS) based photovoltaic (PV) power generation system combines advantages of the qZS inverter and the battery energy storage system. However, the second harmonic (2 ) power ripple will degrade the system's performance and affect the system's design. An accurate model to analyze the 2 ripple is very important. The existing models did not consider the battery, and with the assumption L1=L2 and C1=C2, which causes the non-optimized design for the impedance parameters of qZS network. This paper proposes a comprehensive model for single-phase BES-qZS-PV inverter system, where the battery is considered and without any restrictionmore » of L1, L2, C1, and C2. A BES-qZS impedance design method based on the built model is proposed to mitigate the 2 ripple. Simulation and experimental results verify the proposed 2 ripple model and design method.« less
Phase-field modeling of mixing/demixing of regular binary mixtures with a composition-dependent viscosity

NASA Astrophysics Data System (ADS)

Lamorgese, A.; Mauri, R.

2017-04-01

We simulate the mixing (demixing) process of a quiescent binary liquid mixture with a composition-dependent viscosity which is instantaneously brought from the two-phase (one-phase) to the one-phase (two-phase) region of its phase diagram. Our theoretical approach follows a standard diffuse-interface model of partially miscible regular binary mixtures wherein convection and diffusion are coupled via a nonequilibrium capillary force, expressing the tendency of the phase-separating system to minimize its free energy. Based on 2D simulation results, we discuss the influence of viscosity ratio on basic statistics of the mixing (segregation) process triggered by a rapid heating (quench), assuming that the ratio of capillary to viscous forces (a.k.a. the fluidity coefficient) is large. We show that, for a phase-separating system, at a fixed value of the fluidity coefficient (with the continuous phase viscosity taken as a reference), the separation depth and the characteristic length of single-phase microdomains decrease monotonically for increasing values of the viscosity of the dispersed phase. This variation, however, is quite small, in agreement with experimental results. On the other hand, as one might expect, at a fixed viscosity of the dispersed phase both of the above statistics increase monotonically as the viscosity of the continuous phase decreases. Finally, we show that for a mixing system the attainment of a single-phase equilibrium state by coalescence and diffusion is retarded by an increase in the viscosity ratio at a fixed fluidity for the dispersed phase. In fact, for large enough values of the viscosity ratio, a thin film of the continuous phase becomes apparent when two drops of the minority phase approach each other, which further retards coalescence.
Fermionic Symmetry-Protected Topological Phase in a Two-Dimensional Hubbard Model

DOE PAGES

Chen, Cheng-Chien; Muechler, Lukas; Car, Roberto; ...

2016-08-25

We study the two-dimensional (2D) Hubbard model using exact diagonalization for spin-1/2 fermions on the triangular and honeycomb lattices decorated with a single hexagon per site. In certain parameter ranges, the Hubbard model maps to a quantum compass model on those lattices. On the triangular lattice, the compass model exhibits collinear stripe antiferromagnetism, implying d-density wave charge order in the original Hubbard model. On the honeycomb lattice, the compass model has a unique, quantum disordered ground state that transforms nontrivially under lattice reflection. The ground state of the Hubbard model on the decorated honeycomb lattice is thus a 2D fermionicmore » symmetry-protected topological phase. This state—protected by time-reversal and reflection symmetries—cannot be connected adiabatically to a free-fermion topological phase.« less
Analytical studies on the crystal melt interface shape in the Czochralski process for oxide single crystals

NASA Astrophysics Data System (ADS)

Jeong, Ja Hoon; Kang, In Seok

2000-09-01

Effects of the operating conditions on the crystal-melt interface shape are analytically investigated for the Czochralski process of the oxide single crystals. The ideas, which were used for the silicon single-crystal growth by Jeong et al. (J. Crystal Growth 177 (1997) 157), are extended to the oxide single-crystal growth problem by considering the internal radiation in the crystal phase and the melt phase heat transfer with the high Prandtl number. The interface shape is approximated in the simplest form as a quadratic function of radial position and an expression for the deviation from the flat interface shape is derived as a function of operating conditions. The radiative heat transfer rate between the interface and the ambient is computed by calculating the view factors for the curved interface shape with the assumption that the crystal phase is completely transparent. For the melt phase, the well-known results from the thermal boundary layer analysis are applied for the asymptotic case of high Prandtl number based on the idea that the flow field near the crystal-melt interface can be modeled as either a uniaxial or a biaxial flow. Through this work, essential information on the interface shape deformation and the effects of operating conditions are brought out for the oxide single-crystal growth.
Pore-scale modeling of phase change in porous media

NASA Astrophysics Data System (ADS)

Juanes, Ruben; Cueto-Felgueroso, Luis; Fu, Xiaojing

2017-11-01

One of the main open challenges in pore-scale modeling is the direct simulation of flows involving multicomponent mixtures with complex phase behavior. Reservoir fluid mixtures are often described through cubic equations of state, which makes diffuse interface, or phase field theories, particularly appealing as a modeling framework. What is still unclear is whether equation-of-state-driven diffuse-interface models can adequately describe processes where surface tension and wetting phenomena play an important role. Here we present a diffuse interface model of single-component, two-phase flow (a van der Waals fluid) in a porous medium under different wetting conditions. We propose a simplified Darcy-Korteweg model that is appropriate to describe flow in a Hele-Shaw cell or a micromodel, with a gap-averaged velocity. We study the ability of the diffuse-interface model to capture capillary pressure and the dynamics of vaporization/condensation fronts, and show that the model reproduces pressure fluctuations that emerge from abrupt interface displacements (Haines jumps) and from the break-up of wetting films.
Dual Coding Theory Explains Biphasic Collective Computation in Neural Decision-Making.

PubMed

Daniels, Bryan C; Flack, Jessica C; Krakauer, David C

2017-01-01

A central question in cognitive neuroscience is how unitary, coherent decisions at the whole organism level can arise from the distributed behavior of a large population of neurons with only partially overlapping information. We address this issue by studying neural spiking behavior recorded from a multielectrode array with 169 channels during a visual motion direction discrimination task. It is well known that in this task there are two distinct phases in neural spiking behavior. Here we show Phase I is a distributed or incompressible phase in which uncertainty about the decision is substantially reduced by pooling information from many cells. Phase II is a redundant or compressible phase in which numerous single cells contain all the information present at the population level in Phase I, such that the firing behavior of a single cell is enough to predict the subject's decision. Using an empirically grounded dynamical modeling framework, we show that in Phase I large cell populations with low redundancy produce a slow timescale of information aggregation through critical slowing down near a symmetry-breaking transition. Our model indicates that increasing collective amplification in Phase II leads naturally to a faster timescale of information pooling and consensus formation. Based on our results and others in the literature, we propose that a general feature of collective computation is a "coding duality" in which there are accumulation and consensus formation processes distinguished by different timescales.
Dual Coding Theory Explains Biphasic Collective Computation in Neural Decision-Making

PubMed Central

Daniels, Bryan C.; Flack, Jessica C.; Krakauer, David C.

2017-01-01

A central question in cognitive neuroscience is how unitary, coherent decisions at the whole organism level can arise from the distributed behavior of a large population of neurons with only partially overlapping information. We address this issue by studying neural spiking behavior recorded from a multielectrode array with 169 channels during a visual motion direction discrimination task. It is well known that in this task there are two distinct phases in neural spiking behavior. Here we show Phase I is a distributed or incompressible phase in which uncertainty about the decision is substantially reduced by pooling information from many cells. Phase II is a redundant or compressible phase in which numerous single cells contain all the information present at the population level in Phase I, such that the firing behavior of a single cell is enough to predict the subject's decision. Using an empirically grounded dynamical modeling framework, we show that in Phase I large cell populations with low redundancy produce a slow timescale of information aggregation through critical slowing down near a symmetry-breaking transition. Our model indicates that increasing collective amplification in Phase II leads naturally to a faster timescale of information pooling and consensus formation. Based on our results and others in the literature, we propose that a general feature of collective computation is a “coding duality” in which there are accumulation and consensus formation processes distinguished by different timescales. PMID:28634436
Steady-state, lumped-parameter model for capacitor-run, single-phase induction motors

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

Umans, S.D.

1996-01-01

This paper documents a technique for deriving a steady-state, lumped-parameter model for capacitor-run, single-phase induction motors. The objective of this model is to predict motor performance parameters such as torque, loss distribution, and efficiency as a function of applied voltage and motor speed as well as the temperatures of the stator windings and of the rotor. The model includes representations of both the main and auxiliary windings (including arbitrary external impedances) and also the effects of core and rotational losses. The technique can be easily implemented and the resultant model can be used in a wide variety of analyses tomore » investigate motor performance as a function of load, speed, and winding and rotor temperatures. The technique is based upon a coupled-circuit representation of the induction motor. A notable feature of the model is the technique used for representing core loss. In equivalent-circuit representations of transformers and induction motors, core loss is typically represented by a core-loss resistance in shunt with the magnetizing inductance. In order to maintain the coupled-circuit viewpoint adopted in this paper, this technique was modified slightly; core loss is represented by a set of core-loss resistances connected to the ``secondaries`` of a set of windings which perfectly couple to the air-gap flux of the motor. An example of the technique is presented based upon a 3.5 kW, single-phase, capacitor-run motor and the validity of the technique is demonstrated by comparing predicted and measured motor performance.« less
Dynamical quantum phase transitions in extended transverse Ising models

NASA Astrophysics Data System (ADS)

Bhattacharjee, Sourav; Dutta, Amit

2018-04-01

We study the dynamical quantum phase transitions (DQPTs) manifested in the subsequent unitary dynamics of an extended Ising model with an additional three spin interactions following a sudden quench. Revisiting the equilibrium phase diagram of the model, where different quantum phases are characterized by different winding numbers, we show that in some situations the winding number may not change across a gap closing point in the energy spectrum. Although, usually there exists a one-to-one correspondence between the change in winding number and the number of critical time scales associated with DQPTs, we show that the extended nature of interactions may lead to unusual situations. Importantly, we show that in the limit of the cluster Ising model, three critical modes associated with DQPTs become degenerate, thereby leading to a single critical time scale for a given sector of Fisher zeros.
Wall-resolved spectral cascade-transport turbulence model

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

Brown, C. S.; Shaver, D. R.; Lahey, R. T.

A spectral cascade-transport model has been developed and applied to turbulent channel flows (Reτ= 550, 950, and 2000 based on friction velocity, uτ ; or ReδΜ= 8,500; 14,800 and 31,000, based on the mean velocity and channel half-width). This model is an extension of a spectral model previously developed for homogeneous single and two-phase decay of isotropic turbulence and uniform shear flows; and a spectral turbulence model for wall-bounded flows without resolving the boundary layer. Data from direct numerical simulation (DNS) of turbulent channel flow was used to help develop this model and to assess its performance in the 1Dmore » direction across the channel width. The resultant spectral model is capable of predicting the mean velocity, turbulent kinetic energy and energy spectrum distributions for single-phase wall-bounded flows all the way to the wall, where the model source terms have been developed to account for the wall influence. We implemented the model into the 3D multiphase CFD code NPHASE-CMFD and the latest results are within reasonable error of the 1D predictions.« less

Wall-resolved spectral cascade-transport turbulence model

DOE PAGES

Brown, C. S.; Shaver, D. R.; Lahey, R. T.; ...

2017-07-08

A spectral cascade-transport model has been developed and applied to turbulent channel flows (Reτ= 550, 950, and 2000 based on friction velocity, uτ ; or ReδΜ= 8,500; 14,800 and 31,000, based on the mean velocity and channel half-width). This model is an extension of a spectral model previously developed for homogeneous single and two-phase decay of isotropic turbulence and uniform shear flows; and a spectral turbulence model for wall-bounded flows without resolving the boundary layer. Data from direct numerical simulation (DNS) of turbulent channel flow was used to help develop this model and to assess its performance in the 1Dmore » direction across the channel width. The resultant spectral model is capable of predicting the mean velocity, turbulent kinetic energy and energy spectrum distributions for single-phase wall-bounded flows all the way to the wall, where the model source terms have been developed to account for the wall influence. We implemented the model into the 3D multiphase CFD code NPHASE-CMFD and the latest results are within reasonable error of the 1D predictions.« less
Phase aided 3D imaging and modeling: dedicated systems and case studies

NASA Astrophysics Data System (ADS)

Yin, Yongkai; He, Dong; Liu, Zeyi; Liu, Xiaoli; Peng, Xiang

2014-05-01

Dedicated prototype systems for 3D imaging and modeling (3DIM) are presented. The 3D imaging systems are based on the principle of phase-aided active stereo, which have been developed in our laboratory over the past few years. The reported 3D imaging prototypes range from single 3D sensor to a kind of optical measurement network composed of multiple node 3D-sensors. To enable these 3D imaging systems, we briefly discuss the corresponding calibration techniques for both single sensor and multi-sensor optical measurement network, allowing good performance of the 3DIM prototype systems in terms of measurement accuracy and repeatability. Furthermore, two case studies including the generation of high quality color model of movable cultural heritage and photo booth from body scanning are presented to demonstrate our approach.
Coexistence of Native and Denatured Phases in a Single Proteinlike Molecule

NASA Astrophysics Data System (ADS)

Du, Rose; Grosberg, Alexander Yu.; Tanaka, Toyoichi

1999-11-01

In order to understand the nuclei which develop during the course of protein folding and unfolding, we examine equilibrium coexistence of phases within a single heteropolymer chain. We computationally generate the phase segregation by applying a ``folding pressure,'' or adding an energetic bonus for native monomer-monomer contacts. The computer models reveal that in a polymer system some nuclei hinder folding via topological constraints. Using this insight, we show that the critical nucleus size is of the order of the entire chain and that unfolding time scales as exp\\(cN2/3\\), in the large N limit, N and c being the chain length and a constant, respectively.
Spin supercurrent and effect of quantum phase transition in the two-dimensional XY model

NASA Astrophysics Data System (ADS)

Lima, L. S.

2018-04-01

We have verified the influence of quantum phase transition on spin transport in the spin-1 two-dimensional XY model on the square lattice, with easy plane, single ion and exchange anisotropy. We analyze the effect of the phase transition from the Néel phase to the paramagnetic phase on the AC spin conductivity. Our results show a bit influence of the quantum phase transition on the conductivity. We also obtain a conventional spin transport for ω > 0 and an ideal spin transport in the limit of DC conductivity and therefore, a superfluid spin transport for the DC current in this limit. We have made the diagrammatic expansion for the Green-function with objective to include the effect exciton-exciton scattering on the results.
Biological applications of phase-contrast electron microscopy.

PubMed

Nagayama, Kuniaki

2014-01-01

Here, I review the principles and applications of phase-contrast electron microscopy using phase plates. First, I develop the principle of phase contrast based on a minimal model of microscopy, introducing a double Fourier-transform process to mathematically formulate the image formation. Next, I explain four phase-contrast (PC) schemes, defocus PC, Zernike PC, Hilbert differential contrast, and schlieren optics, as image-filtering processes in the context of the minimal model, with particular emphases on the Zernike PC and corresponding Zernike phase plates. Finally, I review applications of Zernike PC cryo-electron microscopy to biological systems such as protein molecules, virus particles, and cells, including single-particle analysis to delineate three-dimensional (3D) structures of protein and virus particles and cryo-electron tomography to reconstruct 3D images of complex protein systems and cells.
Ensemble methods for stochastic networks with special reference to the biological clock of Neurospora crassa.

PubMed

Caranica, C; Al-Omari, A; Deng, Z; Griffith, J; Nilsen, R; Mao, L; Arnold, J; Schüttler, H-B

2018-01-01

A major challenge in systems biology is to infer the parameters of regulatory networks that operate in a noisy environment, such as in a single cell. In a stochastic regime it is hard to distinguish noise from the real signal and to infer the noise contribution to the dynamical behavior. When the genetic network displays oscillatory dynamics, it is even harder to infer the parameters that produce the oscillations. To address this issue we introduce a new estimation method built on a combination of stochastic simulations, mass action kinetics and ensemble network simulations in which we match the average periodogram and phase of the model to that of the data. The method is relatively fast (compared to Metropolis-Hastings Monte Carlo Methods), easy to parallelize, applicable to large oscillatory networks and large (~2000 cells) single cell expression data sets, and it quantifies the noise impact on the observed dynamics. Standard errors of estimated rate coefficients are typically two orders of magnitude smaller than the mean from single cell experiments with on the order of ~1000 cells. We also provide a method to assess the goodness of fit of the stochastic network using the Hilbert phase of single cells. An analysis of phase departures from the null model with no communication between cells is consistent with a hypothesis of Stochastic Resonance describing single cell oscillators. Stochastic Resonance provides a physical mechanism whereby intracellular noise plays a positive role in establishing oscillatory behavior, but may require model parameters, such as rate coefficients, that differ substantially from those extracted at the macroscopic level from measurements on populations of millions of communicating, synchronized cells.
Current Source Based on H-Bridge Inverter with Output LCL Filter

NASA Astrophysics Data System (ADS)

Blahnik, Vojtech; Talla, Jakub; Peroutka, Zdenek

2015-09-01

The paper deals with a control of current source with an LCL output filter. The controlled current source is realized as a single-phase inverter and output LCL filter provides low ripple of output current. However, systems incorporating LCL filters require more complex control strategies and there are several interesting approaches to the control of this type of converter. This paper presents the inverter control algorithm, which combines model based control with a direct current control based on resonant controllers and single-phase vector control. The primary goal is to reduce the current ripple and distortion under required limits and provides fast and precise control of output current. The proposed control technique is verified by measurements on the laboratory model.
Identity-by-Descent-Based Phasing and Imputation in Founder Populations Using Graphical Models

PubMed Central

Palin, Kimmo; Campbell, Harry; Wright, Alan F; Wilson, James F; Durbin, Richard

2011-01-01

Accurate knowledge of haplotypes, the combination of alleles co-residing on a single copy of a chromosome, enables powerful gene mapping and sequence imputation methods. Since humans are diploid, haplotypes must be derived from genotypes by a phasing process. In this study, we present a new computational model for haplotype phasing based on pairwise sharing of haplotypes inferred to be Identical-By-Descent (IBD). We apply the Bayesian network based model in a new phasing algorithm, called systematic long-range phasing (SLRP), that can capitalize on the close genetic relationships in isolated founder populations, and show with simulated and real genome-wide genotype data that SLRP substantially reduces the rate of phasing errors compared to previous phasing algorithms. Furthermore, the method accurately identifies regions of IBD, enabling linkage-like studies without pedigrees, and can be used to impute most genotypes with very low error rate. Genet. Epidemiol. 2011. © 2011 Wiley Periodicals, Inc.35:853-860, 2011 PMID:22006673
Performance of Four-Leg VSC based DSTATCOM using Single Phase P-Q Theory

NASA Astrophysics Data System (ADS)

Jampana, Bangarraju; Veramalla, Rajagopal; Askani, Jayalaxmi

2017-02-01

This paper presents single-phase P-Q theory for four-leg VSC based distributed static compensator (DSTATCOM) in the distribution system. The proposed DSTATCOM maintains unity power factor at source, zero voltage regulation, eliminates current harmonics, load balancing and neutral current compensation. The advantage of using four-leg VSC based DSTATCOM is to eliminate isolated/non-isolated transformer connection at point of common coupling (PCC) for neutral current compensation. The elimination of transformer connection at PCC with proposed topology will reduce cost of DSTATCOM. The single-phase P-Q theory control algorithm is used to extract fundamental component of active and reactive currents for generation of reference source currents which is based on indirect current control method. The proposed DSTATCOM is modelled and the results are validated with various consumer loads under unity power factor and zero voltage regulation modes in the MATLAB R2013a environment using simpower system toolbox.
An observational model for biomechanical assessment of sprint kayaking technique.

PubMed

McDonnell, Lisa K; Hume, Patria A; Nolte, Volker

2012-11-01

Sprint kayaking stroke phase descriptions for biomechanical analysis of technique vary among kayaking literature, with inconsistencies not conducive for the advancement of biomechanics applied service or research. We aimed to provide a consistent basis for the categorisation and analysis of sprint kayak technique by proposing a clear observational model. Electronic databases were searched using key words kayak, sprint, technique, and biomechanics, with 20 sources reviewed. Nine phase-defining positions were identified within the kayak literature and were divided into three distinct types based on how positions were defined: water-contact-defined positions, paddle-shaft-defined positions, and body-defined positions. Videos of elite paddlers from multiple camera views were reviewed to determine the visibility of positions used to define phases. The water-contact-defined positions of catch, immersion, extraction, and release were visible from multiple camera views, therefore were suitable for practical use by coaches and researchers. Using these positions, phases and sub-phases were created for a new observational model. We recommend that kayaking data should be reported using single strokes and described using two phases: water and aerial. For more detailed analysis without disrupting the basic two-phase model, a four-sub-phase model consisting of entry, pull, exit, and aerial sub-phases should be used.
Diffusion paths formation for Cu + ions in superionic Cu 6PS 5I single crystals studied in terms of structural phase transition

NASA Astrophysics Data System (ADS)

Gągor, A.; Pietraszko, A.; Kaynts, D.

2005-11-01

In order to understand the structural transformations leading to high ionic conductivity of Cu + ions in Cu 6PS 5I argyrodite compound, the detailed structure analysis based on single-crystal X-ray diffraction has been performed. Below the phase transition at T=(144-169) K Cu 6PS 5I belongs to monoclinic, ferroelastic phase (space group Cc) with ordered copper sublattice. Above Tc delocalization of copper ions begins and crystal changes the symmetry to cubic superstructure with space group F-43 c ( a'=19.528 Å, z=32). Finally, above T1=274 K increasing disordering of the Cu + ions heightens the symmetry to F-43 m ( a=9.794 Å, z=4). In this work, the final structural model of two cubic phases is presented including the detailed temperature evolution of positions and site occupation factors of copper ions ( R1=0.0397 for F-43 c phase, and 0.0245 for F-43 m phase). Possible diffusion paths for the copper ions are represented by means of the atomic displacement factors and split model. The structural results coincide well with the previously reported non-Arrhenius behavior of conductivity and indicate significant change in conduction mechanism.
Applications of active adaptive noise control to jet engines

NASA Technical Reports Server (NTRS)

Shoureshi, Rahmat; Brackney, Larry

1993-01-01

During phase 2 research on the application of active noise control to jet engines, the development of multiple-input/multiple-output (MIMO) active adaptive noise control algorithms and acoustic/controls models for turbofan engines were considered. Specific goals for this research phase included: (1) implementation of a MIMO adaptive minimum variance active noise controller; and (2) turbofan engine model development. A minimum variance control law for adaptive active noise control has been developed, simulated, and implemented for single-input/single-output (SISO) systems. Since acoustic systems tend to be distributed, multiple sensors, and actuators are more appropriate. As such, the SISO minimum variance controller was extended to the MIMO case. Simulation and experimental results are presented. A state-space model of a simplified gas turbine engine is developed using the bond graph technique. The model retains important system behavior, yet is of low enough order to be useful for controller design. Expansion of the model to include multiple stages and spools is also discussed.
Modelling of creep curves of Ni3Ge single crystals

NASA Astrophysics Data System (ADS)

Starenchenko, V. A.; Starenchenko, S. V.; Pantyukhova, O. D.; Solov'eva, Yu V.

2015-01-01

In this paper the creep model of alloys with L12 superstructure is presented. The creep model is based on the idea of the mechanisms superposition connected with the different elementary deformation processes. Some of them are incident to the ordered structure L12 (anomalous mechanisms), others are typical to pure metals with the fcc structure (normal mechanisms): the accumulation of thermal APBs by means of the intersection of moving dislocations; the formation of APB tubes; the multiplication of superdislocations; the movement of single dislocations; the accumulation of point defects, such as vacancies and interstitial atoms; the accumulation APBs at the climb of edge dislocations. This model takes into account the experimental facts of the wetting antiphase boundaries and emergence of the disordered phase within the ordered phase. The calculations of the creep curves are performed under different conditions. This model describes different kinds of the creep curves and demonstrates the important meaning of the deformation superlocalisation leading to the inverse creep. The experimental and theoretical results coincide rather well.
Polarimetry With Phased Array Antennas: Theoretical Framework and Definitions

NASA Astrophysics Data System (ADS)

Warnick, Karl F.; Ivashina, Marianna V.; Wijnholds, Stefan J.; Maaskant, Rob

2012-01-01

For phased array receivers, the accuracy with which the polarization state of a received signal can be measured depends on the antenna configuration, array calibration process, and beamforming algorithms. A signal and noise model for a dual-polarized array is developed and related to standard polarimetric antenna figures of merit, and the ideal polarimetrically calibrated, maximum-sensitivity beamforming solution for a dual-polarized phased array feed is derived. A practical polarimetric beamformer solution that does not require exact knowledge of the array polarimetric response is shown to be equivalent to the optimal solution in the sense that when the practical beamformers are calibrated, the optimal solution is obtained. To provide a rough initial polarimetric calibration for the practical beamformer solution, an approximate single-source polarimetric calibration method is developed. The modeled instrumental polarization error for a dipole phased array feed with the practical beamformer solution and single-source polarimetric calibration was -10 dB or lower over the array field of view for elements with alignments perturbed by random rotations with 5 degree standard deviation.
Phase noise suppression for coherent optical block transmission systems: a unified framework.

PubMed

Yang, Chuanchuan; Yang, Feng; Wang, Ziyu

2011-08-29

A unified framework for phase noise suppression is proposed in this paper, which could be applied in any coherent optical block transmission systems, including coherent optical orthogonal frequency-division multiplexing (CO-OFDM), coherent optical single-carrier frequency-domain equalization block transmission (CO-SCFDE), etc. Based on adaptive modeling of phase noise, unified observation equations for different coherent optical block transmission systems are constructed, which lead to unified phase noise estimation and suppression. Numerical results demonstrate that the proposal is powerful in mitigating laser phase noise.
Thermal properties of the mixed spin-1 and spin-3/2 Ising ferrimagnetic system with two different random single-ion anisotropies

NASA Astrophysics Data System (ADS)

Pereira, J. R. V.; Tunes, T. M.; de Arruda, A. S.; Godoy, M.

2018-06-01

In this work, we have performed Monte Carlo simulations to study a mixed spin-1 and spin-3/2 Ising ferrimagnetic system on a square lattice with two different random single-ion anisotropies. This lattice is divided in two interpenetrating sublattices with spins SA = 1 in the sublattice A and SB = 3 / 2 in the sublattice B. The exchange interaction between the spins on the sublattices is antiferromagnetic (J < 0). We used two random single-ion anisotropies, DiA and DjB , on the sublattices A and B, respectively. We have determined the phase diagram of the model in the critical temperature Tc versus strength of the random single-ion anisotropy D plane and we shown that it exhibits only second-order phase transition lines. We also shown that this system displays compensation temperatures for some cases of the random single-ion distribution.
Aerosol Processing in Mixed-Phase Clouds in ECHAM5-HAM: Comparison of Single-Column Model Simulations to Observations

NASA Astrophysics Data System (ADS)

Hoose, C.; Lohmann, U.; Stier, P.; Verheggen, B.; Weingartner, E.; Herich, H.

2007-12-01

The global aerosol-climate model ECHAM5-HAM (Stier et al., 2005) has been extended by an explicit treatment of cloud-borne particles. Two additional modes for in-droplet and in-crystal particles are introduced, which are coupled to the number of cloud droplet and ice crystal concentrations simulated by the ECHAM5 double-moment cloud microphysics scheme (Lohmann et al., 2007). Transfer, production and removal of cloud-borne aerosol number and mass by cloud droplet activation, collision scavenging, aqueous-phase sulfate production, freezing, melting, evaporation, sublimation and precipitation formation are taken into account. The model performance is demonstrated and validated with observations of the evolution of total and interstitial aerosol concentrations and size distributions during three different mixed-phase cloud events at the alpine high-altitude research station Jungfraujoch (Switzerland) (Verheggen et al, 2007). Although the single-column simulations can not be compared one-to-one with the observations, the governing processes in the evolution of the cloud and aerosol parameters are captured qualitatively well. High scavenged fractions are found during the presence of liquid water, while the release of particles during the Bergeron-Findeisen process results in low scavenged fractions after cloud glaciation. The observed coexistence of liquid and ice, which might be related to cloud heterogeneity at subgrid scales, can only be simulated in the model when forcing non-equilibrium conditions. References: U. Lohmann et al., Cloud microphysics and aerosol indirect effects in the global climate model ECHAM5-HAM, Atmos. Chem. Phys. 7, 3425-3446 (2007) P. Stier et al., The aerosol-climate model ECHAM5-HAM, Atmos. Chem. Phys. 5, 1125-1156 (2005) B. Verheggen et al., Aerosol partitioning between the interstitial and the condensed phase in mixed-phase clouds, Accepted for publication in J. Geophys. Res. (2007)
Phase field modeling of tetragonal to monoclinic phase transformation in zirconia

NASA Astrophysics Data System (ADS)

Mamivand, Mahmood

Zirconia based ceramics are strong, hard, inert, and smooth, with low thermal conductivity and good biocompatibility. Such properties made zirconia ceramics an ideal material for different applications form thermal barrier coatings (TBCs) to biomedicine applications like femoral implants and dental bridges. However, this unusual versatility of excellent properties would be mediated by the metastable tetragonal (or cubic) transformation to the stable monoclinic phase after a certain exposure at service temperatures. This transformation from tetragonal to monoclinic, known as LTD (low temperature degradation) in biomedical application, proceeds by propagation of martensite, which corresponds to transformation twinning. As such, tetragonal to monoclinic transformation is highly sensitive to mechanical and chemomechanical stresses. It is known in fact that this transformation is the source of the fracture toughening in stabilized zirconia as it occurs at the stress concentration regions ahead of the crack tip. This dissertation is an attempt to provide a kinetic-based model for tetragonal to monoclinic transformation in zirconia. We used the phase field technique to capture the temporal and spatial evolution of monoclinic phase. In addition to morphological patterns, we were able to calculate the developed internal stresses during tetragonal to monoclinic transformation. The model was started form the two dimensional single crystal then was expanded to the two dimensional polycrystalline and finally to the three dimensional single crystal. The model is able to predict the most physical properties associated with tetragonal to monoclinic transformation in zirconia including: morphological patterns, transformation toughening, shape memory effect, pseudoelasticity, surface uplift, and variants impingement. The model was benched marked with several experimental works. The good agreements between simulation results and experimental data, make the model a reliable tool for predicting tetragonal to monoclinic transformation in the cases we lack experimental observations.
Modeling pedestrian evacuation by means of game theory

NASA Astrophysics Data System (ADS)

Shi, Dongmei; Zhang, Wenyao; Wang, Binghong

2017-04-01

Pedestrian evacuation is studied based on a modified lattice model. The payoff matrix in this model represents the complicated interactions between selfish individuals, and the mean force imposed on an individual is given by considering the impacts of neighbors, walls, and defector herding. Each passer-by moves to his selected location according to the Fermi function, and the average velocity of pedestrian flow is defined as a function of the motion rule. Two pedestrian types are included: cooperators, who adhere to the evacuation instructions; and defectors, who ignore the rules and act individually. It is observed that the escape time increases as fear degree increases, and the system remains smooth for a low fear degree, but exhibits three stages for a high fear degree. We prove that the fear degree determines the dynamics of this system, and the initial density of cooperators has a negligible impact. The system experiences three phases, a single phase of cooperator, a mixed two-phase pedestrian, and a single phase of defector sequentially as the fear degree upgrades. The phase transition has been proven basically robust to the changes of empty site contribution, wall’s pressure, and noise amplitude in the motion rule. It is further shown that pedestrians derive the greatest benefit from overall cooperation, but are trapped in the worst situation if they are all defectors. Dynamics of pedestrian evacuation.
Dynamics and Instabilities of the Shastry-Sutherland Model

NASA Astrophysics Data System (ADS)

Wang, Zhentao; Batista, Cristian D.

2018-06-01

We study the excitation spectrum in the dimer phase of the Shastry-Sutherland model by using an unbiased variational method that works in the thermodynamic limit. The method outputs dynamical correlation functions in all possible channels. This output is exploited to identify the order parameters with the highest susceptibility (single or multitriplon condensation in a specific channel) upon approaching a quantum phase transition in the magnetic field versus the J'/J phase diagram. We find four different instabilities: antiferro spin nematic, plaquette spin nematic, stripe magnetic order, and plaquette order, two of which have been reported in previous studies.

Hidden Order and Symmetry Protected Topological States in Quantum Link Ladders

NASA Astrophysics Data System (ADS)

Cardarelli, L.; Greschner, S.; Santos, L.

2017-11-01

We show that, whereas spin-1 /2 one-dimensional U(1) quantum-link models (QLMs) are topologically trivial, when implemented in ladderlike lattices these models may present an intriguing ground-state phase diagram, which includes a symmetry protected topological (SPT) phase that may be readily revealed by analyzing long-range string spin correlations along the ladder legs. We propose a simple scheme for the realization of spin-1 /2 U(1) QLMs based on single-component fermions loaded in an optical lattice with s and p bands, showing that the SPT phase may be experimentally realized by adiabatic preparation.
Phase-field modeling of switchable diode-like current-voltage characteristics in ferroelectric BaTiO{sub 3}

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

Cao, Y., E-mail: yxc238@psu.edu; Randall, C. A.; Chen, L. Q.

2014-05-05

A self-consistent model has been proposed to study the switchable current-voltage (I-V) characteristics in Cu/BaTiO{sub 3}/Cu sandwiched structure combining the phase-field model of ferroelectric domains and diffusion equations for ionic/electronic transport. The electrochemical transport equations and Ginzburg-Landau equations are solved using the Chebyshev collocation algorithm. We considered a single parallel plate capacitor configuration which consists of a single layer BaTiO{sub 3} containing a single tetragonal domain orientated normal to the plate electrodes (Cu) and is subject to a sweep of ac bias from −1.0 to 1.0 V at 25 °C. Our simulation clearly shows rectifying I-V response with rectification ratios amount tomore » 10{sup 2}. The diode characteristics are switchable with an even larger rectification ratio after the polarization direction is flipped. The effects of interfacial polarization charge, dopant concentration, and dielectric constant on current responses were investigated. The switchable I-V behavior is attributed to the polarization bound charges that modulate the bulk conduction.« less
Distribution system model calibration with big data from AMI and PV inverters

DOE PAGES

Peppanen, Jouni; Reno, Matthew J.; Broderick, Robert J.; ...

2016-03-03

Efficient management and coordination of distributed energy resources with advanced automation schemes requires accurate distribution system modeling and monitoring. Big data from smart meters and photovoltaic (PV) micro-inverters can be leveraged to calibrate existing utility models. This paper presents computationally efficient distribution system parameter estimation algorithms to improve the accuracy of existing utility feeder radial secondary circuit model parameters. The method is demonstrated using a real utility feeder model with advanced metering infrastructure (AMI) and PV micro-inverters, along with alternative parameter estimation approaches that can be used to improve secondary circuit models when limited measurement data is available. Lastly, themore » parameter estimation accuracy is demonstrated for both a three-phase test circuit with typical secondary circuit topologies and single-phase secondary circuits in a real mixed-phase test system.« less
Distribution system model calibration with big data from AMI and PV inverters

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

Peppanen, Jouni; Reno, Matthew J.; Broderick, Robert J.

Efficient management and coordination of distributed energy resources with advanced automation schemes requires accurate distribution system modeling and monitoring. Big data from smart meters and photovoltaic (PV) micro-inverters can be leveraged to calibrate existing utility models. This paper presents computationally efficient distribution system parameter estimation algorithms to improve the accuracy of existing utility feeder radial secondary circuit model parameters. The method is demonstrated using a real utility feeder model with advanced metering infrastructure (AMI) and PV micro-inverters, along with alternative parameter estimation approaches that can be used to improve secondary circuit models when limited measurement data is available. Lastly, themore » parameter estimation accuracy is demonstrated for both a three-phase test circuit with typical secondary circuit topologies and single-phase secondary circuits in a real mixed-phase test system.« less
Doping evolution of spin and charge excitations in the Hubbard model

DOE PAGES

Kung, Y. F.; Nowadnick, E. A.; Jia, C. J.; ...

2015-11-05

We shed light on how electronic correlations vary across the phase diagram of the cuprate superconductors, examining the doping evolution of spin and charge excitations in the single-band Hubbard model using determinant quantum Monte Carlo (DQMC). In the single-particle response, we observe that the effects of correlations weaken rapidly with doping, such that one may expect the random phase approximation (RPA) to provide an adequate description of the two-particle response. In contrast, when compared to RPA, we find that significant residual correlations in the two-particle excitations persist up to 40% hole and 15% electron doping (the range of dopings achievedmore » in the cuprates). Ultimately, these fundamental differences between the doping evolution of single- and multi-particle renormalizations show that conclusions drawn from single-particle processes cannot necessarily be applied to multi-particle excitations. Eventually, the system smoothly transitions via a momentum-dependent crossover into a weakly correlated metallic state where the spin and charge excitation spectra exhibit similar behavior and where RPA provides an adequate description.« less
Observations and implications of liquid–liquid phase separation at high relative humidities in secondary organic material produced by α-pinene ozonolysis without inorganic salts

DOE PAGES

Renbaum-Wolff, Lindsay; Song, Mijung; Marcolli, Claudia; ...

2016-07-01

Particles consisting of secondary organic material (SOM) are abundant in the atmosphere. In order to predict the role of these particles in climate, visibility and atmospheric chemistry, information on particle phase state (i.e., single liquid, two liquids and solid) is needed. Our paper focuses on the phase state of SOM particles free of inorganic salts produced by the ozonolysis of α-pinene. Phase transitions were investigated in the laboratory using optical microscopy and theoretically using a thermodynamic model at 290 K and for relative humidities ranging from < 0.5 to 100%. In the laboratory studies, a single phase was observed frommore » 0 to 95% relative humidity (RH) while two liquid phases were observed above 95% RH. For increasing RH, the mechanism of liquid–liquid phase separation (LLPS) was spinodal decomposition. The RH range over which two liquid phases were observed did not depend on the direction of RH change. In the modeling studies, the SOM took up very little water and was a single organic-rich phase at low RH values. At high RH, the SOM underwent LLPS to form an organic-rich phase and a water-rich phase, consistent with the laboratory studies. The presence of LLPS at high RH values can have consequences for the cloud condensation nuclei (CCN) activity of SOM particles. In the simulated Köhler curves for SOM particles, two local maxima were observed. Depending on the composition of the SOM, the first or second maximum can determine the critical supersaturation for activation. Recently researchers have observed inconsistencies between measured CCN properties of SOM particles and hygroscopic growth measured below water saturation (i.e., hygroscopic parameters measured below water saturation were inconsistent with hygroscopic parameters measured above water saturation). Furthermore, the work presented here illustrates that such inconsistencies are expected for systems with LLPS when the water uptake at subsaturated conditions represents the hygroscopicity of an organic-rich phase while the barrier for CCN activation can be determined by the second maximum in the Köhler curve when the particles are water rich.« less
A Defect Structure for 6-Line Ferrihydrite Nanoparticles (Invited)

NASA Astrophysics Data System (ADS)

Gilbert, B.; Spagnoli, D.; Fakra, S.; Petkov, V.; Penn, R. L.; Banfield, J. F.; Waychunas, G.

2010-12-01

Ferrihydrite is an environmental iron oxyhydroxide mineral that is only found in the form of nanoscale particles yet exerts significant impacts on the biogeochemistry of soils, sediments and surface waters. This material has remained poorly characterized due to significant experimental challenges in determining stoichiometry and structure. In a breakthrough, Michel et al., Science 316, 1726 (2007), showed that real-space pair distribution function (PDF) data from ferrihydrite samples with a range of particle sizes could be modeled by a single newly proposed crystal phase. However, ambiguity remained as to the relationship between this model and real ferrihydrite structure because that model does not perfectly reproduce the reciprocal-space X-ray diffraction data (XRD). Subsequently, Michel et al. PNAS 107, 2787 (2010), demonstrated that ferrihydrite could be thermally coarsened to form an annealed nanomaterial for which both XRD and PDF data are reproduced by a refined version of their original structure. These findings confirmed that the Michel et al. structure is a true mineral phase, but do not resolve the question of how to adequately describe the structure of ferrihydrite nanoparticles formed by low-temperature precipitation in surface waters. There is agreement that a model based upon a single unit cell cannot capture the structural diversity present in real nanoparticles, which can include defects, vacancies and disorder, particularly surface strain. However, for the Michel et al. model of ferrihydrite the disagreement between simulated and experimental XRD is significant, indicating either that the underlying structural model is incorrect; that the assumption that a single phase is sufficient to describe the nanomaterial is not valid; or that ferrihydrite nanoparticles possess an unusually large amount of disorder that must be characterized. Thus, quantitative tests of explicit structural configurations are essential to understand the real nanoparticle disorder and to test the correctness of an underlying phase described by a single unit cell. We reviewed the crystal chemistry of the Michel et al. structure and alternatives and developed hypotheses for plausible structural defects. We developed a novel reverse Monte Carlo (RMC) algorithm that generates defects and disorder within full-nanoparticle structural models and simulates the corresponding PDF and wide-angle XRD patterns for comparison with experimental data. This successfully generated full-nanoparticle structures that are in agreement with both real- and reciprocal-space X-ray scattering data. RMC-derived structures may be incorrect, and are not unique, and must therefore be evaluated for chemical plausibility as emphasized by Manceau, Clay Minerals 44, 19 (2009). Nevertheless, the results show that the inclusion of disorder and defects in full-nanoparticle model of ferrihydrite can resolve the discrepancy between XRD and PDF results found for a model based upon a single unit cell.
Effects of Microstructural Parameters on Creep of Nickel-Base Superalloy Single Crystals

NASA Technical Reports Server (NTRS)

MacKay, Rebecca A.; Gabb, Timothy P.; Nathal, Michael V.

2013-01-01

Microstructure-sensitive creep models have been developed for Ni-base superalloy single crystals. Creep rupture testing was conducted on fourteen single crystal alloys at two applied stress levels at each of two temperatures, 982 and 1093 C. The variation in creep lives among the different alloys could be explained with regression models containing relatively few microstructural parameters. At 982 C, gamma-gamma prime lattice mismatch, gamma prime volume fraction, and initial gamma prime size were statistically significant in explaining the creep rupture lives. At 1093 C, only lattice mismatch and gamma prime volume fraction were significant. These models could explain from 84 to 94 percent of the variation in creep lives, depending on test condition. Longer creep lives were associated with alloys having more negative lattice mismatch, lower gamma prime volume fractions, and finer gamma prime sizes. The gamma-gamma prime lattice mismatch exhibited the strongest influence of all the microstructural parameters at both temperatures. Although a majority of the alloys in this study were stable with respect to topologically close packed (TCP) phases, it appeared that up to approximately 2 vol% TCP phase did not affect the 1093 C creep lives under applied stresses that produced lives of approximately 200 to 300 h. In contrast, TCP phase contents of approximately 2 vol% were detrimental at lower applied stresses where creep lives were longer. A regression model was also developed for the as-heat treated initial gamma prime size; this model showed that gamma prime solvus temperature, gamma-gamma prime lattice mismatch, and bulk Re content were all statistically significant.
Extending Single-Molecule Microscopy Using Optical Fourier Processing

PubMed Central

2015-01-01

This article surveys the recent application of optical Fourier processing to the long-established but still expanding field of single-molecule imaging and microscopy. A variety of single-molecule studies can benefit from the additional image information that can be obtained by modulating the Fourier, or pupil, plane of a widefield microscope. After briefly reviewing several current applications, we present a comprehensive and computationally efficient theoretical model for simulating single-molecule fluorescence as it propagates through an imaging system. Furthermore, we describe how phase/amplitude-modulating optics inserted in the imaging pathway may be modeled, especially at the Fourier plane. Finally, we discuss selected recent applications of Fourier processing methods to measure the orientation, depth, and rotational mobility of single fluorescent molecules. PMID:24745862
Extending single-molecule microscopy using optical Fourier processing.

PubMed

Backer, Adam S; Moerner, W E

2014-07-17

This article surveys the recent application of optical Fourier processing to the long-established but still expanding field of single-molecule imaging and microscopy. A variety of single-molecule studies can benefit from the additional image information that can be obtained by modulating the Fourier, or pupil, plane of a widefield microscope. After briefly reviewing several current applications, we present a comprehensive and computationally efficient theoretical model for simulating single-molecule fluorescence as it propagates through an imaging system. Furthermore, we describe how phase/amplitude-modulating optics inserted in the imaging pathway may be modeled, especially at the Fourier plane. Finally, we discuss selected recent applications of Fourier processing methods to measure the orientation, depth, and rotational mobility of single fluorescent molecules.
Analysis of thermomechanical states in single-pass GMAW surfaced steel element

NASA Astrophysics Data System (ADS)

Winczek, Jerzy; Gawronska, Elzbieta; Murcinkova, Zuzana; Hatala, Michal; Pavlenko, Slavko; Makles, Krzysztof

2017-03-01

In the paper the model of temperature field, phase changes and stress states calculation during single-pass arc weld surfacing have been presented. In temperature field solution the temperature changes caused by the heat of weld and by electric arc have been taken into consideration. Kinetics of phase changes during heating is limited by temperature values at the beginning and at the end of austenitic transformation, while progress of phase transformations during cooling has been determined on the basis of time-temperature-transformation (TTT) - welding diagram. The analysis of stress state has been presented for S235 steel flat assuming planar section hypothesis and using integral equations of stress equilibrium. It has enabled a clear interpretation of influence of temperature field and phase transformation on stresses caused by surfacing using Gas Metal Arc Welding (GMAW) method.
Modeling mass transfer and reaction of dilute solutes in a ternary phase system by the lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Fu, Yu-Hang; Bai, Lin; Luo, Kai-Hong; Jin, Yong; Cheng, Yi

2017-04-01

In this work, we propose a general approach for modeling mass transfer and reaction of dilute solute(s) in incompressible three-phase flows by introducing a collision operator in lattice Boltzmann (LB) method. An LB equation was used to simulate the solute dynamics among three different fluids, in which the newly expanded collision operator was used to depict the interface behavior of dilute solute(s). The multiscale analysis showed that the presented model can recover the macroscopic transport equations derived from the Maxwell-Stefan equation for dilute solutes in three-phase systems. Compared with the analytical equation of state of solute and dynamic behavior, these results are proven to constitute a generalized framework to simulate solute distributions in three-phase flows, including compound soluble in one phase, compound adsorbed on single-interface, compound in two phases, and solute soluble in three phases. Moreover, numerical simulations of benchmark cases, such as phase decomposition, multilayered planar interfaces, and liquid lens, were performed to test the stability and efficiency of the model. Finally, the multiphase mass transfer and reaction in Janus droplet transport in a straight microchannel were well reproduced.
Model of chiral spin liquids with Abelian and non-Abelian topological phases

DOE PAGES

Chen, Jyong-Hao; Mudry, Christopher; Chamon, Claudio; ...

2017-12-15

In this article, we present a two-dimensional lattice model for quantum spin-1/2 for which the low-energy limit is governed by four flavors of strongly interacting Majorana fermions. We study this low-energy effective theory using two alternative approaches. The first consists of a mean-field approximation. The second consists of a random phase approximation (RPA) for the single-particle Green's functions of the Majorana fermions built from their exact forms in a certain one-dimensional limit. The resulting phase diagram consists of two competing chiral phases, one with Abelian and the other with non-Abelian topological order, separated by a continuous phase transition. Remarkably, themore » Majorana fermions propagate in the two-dimensional bulk, as in the Kitaev model for a spin liquid on the honeycomb lattice. We identify the vison fields, which are mobile (they are static in the Kitaev model) domain walls propagating along only one of the two space directions.« less
Model of chiral spin liquids with Abelian and non-Abelian topological phases

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

Chen, Jyong-Hao; Mudry, Christopher; Chamon, Claudio

In this article, we present a two-dimensional lattice model for quantum spin-1/2 for which the low-energy limit is governed by four flavors of strongly interacting Majorana fermions. We study this low-energy effective theory using two alternative approaches. The first consists of a mean-field approximation. The second consists of a random phase approximation (RPA) for the single-particle Green's functions of the Majorana fermions built from their exact forms in a certain one-dimensional limit. The resulting phase diagram consists of two competing chiral phases, one with Abelian and the other with non-Abelian topological order, separated by a continuous phase transition. Remarkably, themore » Majorana fermions propagate in the two-dimensional bulk, as in the Kitaev model for a spin liquid on the honeycomb lattice. We identify the vison fields, which are mobile (they are static in the Kitaev model) domain walls propagating along only one of the two space directions.« less
SPACE PROPULSION SYSTEM PHASED-MISSION PROBABILITY ANALYSIS USING CONVENTIONAL PRA METHODS

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

Curtis Smith; James Knudsen

As part of a series of papers on the topic of advance probabilistic methods, a benchmark phased-mission problem has been suggested. This problem consists of modeling a space mission using an ion propulsion system, where the mission consists of seven mission phases. The mission requires that the propulsion operate for several phases, where the configuration changes as a function of phase. The ion propulsion system itself consists of five thruster assemblies and a single propellant supply, where each thruster assembly has one propulsion power unit and two ion engines. In this paper, we evaluate the probability of mission failure usingmore » the conventional methodology of event tree/fault tree analysis. The event tree and fault trees are developed and analyzed using Systems Analysis Programs for Hands-on Integrated Reliability Evaluations (SAPHIRE). While the benchmark problem is nominally a "dynamic" problem, in our analysis the mission phases are modeled in a single event tree to show the progression from one phase to the next. The propulsion system is modeled in fault trees to account for the operation; or in this case, the failure of the system. Specifically, the propulsion system is decomposed into each of the five thruster assemblies and fed into the appropriate N-out-of-M gate to evaluate mission failure. A separate fault tree for the propulsion system is developed to account for the different success criteria of each mission phase. Common-cause failure modeling is treated using traditional (i.e., parametrically) methods. As part of this paper, we discuss the overall results in addition to the positive and negative aspects of modeling dynamic situations with non-dynamic modeling techniques. One insight from the use of this conventional method for analyzing the benchmark problem is that it requires significant manual manipulation to the fault trees and how they are linked into the event tree. The conventional method also requires editing the resultant cut sets to obtain the correct results. While conventional methods may be used to evaluate a dynamic system like that in the benchmark, the level of effort required may preclude its use on real-world problems.« less
Review of pre-rift continental fits and plate kinematic models for the Gulf of Mexico opening

NASA Astrophysics Data System (ADS)

Steier, A.; Mann, P.

2016-12-01

We review models for the opening of the Gulf of Mexico (GOM) by: 1) subdividing them into historical groupings; 2) demonstrating their strengths and weaknesses using GPlates; and 3) illustrating the compatibility of models for GOM opening with the surrounding plate mosaic in the Central Atlantic and Caribbean. Tectonic models for GOM opening during the 1970's and 1980's disagreed on whether the Yucatan continental block originated inside or outside the GOM, but difficulties in filling the continental underlap in reconstructions of pre-rift Pangea eventually led to a consensus that the Yucatan block originated inside the GOM. The 1980's saw the advent of the "piggyback model" for GOM evolution based on the assumption that the Jurassic opening of the GOM formed a southwestward extension of the Central Atlantic spreading system and opened about its same pole of rotation. This single-phase model eventually fell out of favor as refraction surveys determined that the existence of a wedge-shaped area of oceanic crust in the deep GOM (widening from east to west) was not compatible with the single, NW-SE opening direction proposed by the piggyback model. The early 2000's saw the appearance of a two-phase opening model as a solution to the existence of a broad zone of NW-SE continental extension in the northern GOM that was succeeded by a more NS-directed phase of extension that in some areas cut at right angles across structures produced during the first rift phase. The second phase of late Jurassic rifting and oceanic crust formation is the outcome of counterclockwise rotation of the Yucatan block that is thought to have been caused by forces acting on the edges of the block. By the earliest Cretaceous rifting in the GOM has ended although tectonic events in Mexico and the northern Caribbean reactivate and influence GOM sedimentation. We provide a GPlates restoration from Triassic to Recent that takes into account all available geologic and geophysical data and illustrates the two-phase GOM opening model which appears to be the tectonic model that can explain the most geologic and geophysical datasets from the Caribbean.
Theoretical and experimental investigation of turbulent premixed flames

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

Azzazy, M.T.F.

1982-01-01

A model is proposed to describe the propagation of a plane oblique flame into a turbulent flow of premixed reactants. The model incorporates a transport equation for the single or joint PDF's of passive scalers, in addition to the conservation equations of mass, momentum, energy and K.E. of turbulence. In the first phase of developing the model, the reaction mechanism was treated as a single step irreversible exothermic reaction. In this case, the PDF of the progress variable was parameterized and solved with the conservation equations. The second phase considered a two step reaction mechanism in an attempt to exploremore » the role played by the radicals in the propagation of turbulent premixed flames. For both the two phases, the flame speed and angle are Eigenvalues of the solution. Laser Induced Fluoresence Spectroscopy (LIFS) was used to measure the PDF of OH concentration in a laboratory scale burner simulating the flame studied by the model. The premixed Methane-Air flame was stabilized on a rod flame holder downstream of a turbulence producing grid. Measurements in both the streamwise and transverse directions were made for a variety of flow conditions. The experimentally observed PDF's of the hydroxil radical concentration, and the statistical moments, were used to describe and compare the PDF's and moments of the two reaction model.« less
CFD Analysis of different types of single basin solar stills

NASA Astrophysics Data System (ADS)

Maheswari, C. Uma; Meenakshi Reddy, R.

2018-03-01

The current work deals with the numerical and experimental analysis of a solar still of single basin with improved models of stepped, finned, PCM (Phase modification Materials) instrumentation in single slope. The work is additionally extended to double slope solar still of single basin and also the performances were compared with one another. The one slope basin inclinations were compared for 15° and 20°. From the investigations it had been ascertained that single slope with 20° and PCM instrumentation has given the upper productivity compared to different sorts.
Design of an Internal Model Control strategy for single-phase grid-connected PWM inverters and its performance analysis with a non-linear local load and weak grid.

PubMed

Chaves, Eric N; Coelho, Ernane A A; Carvalho, Henrique T M; Freitas, Luiz C G; Júnior, João B V; Freitas, Luiz C

2016-09-01

This paper presents the design of a controller based on Internal Model Control (IMC) applied to a grid-connected single-phase PWM inverter. The mathematical modeling of the inverter and the LCL output filter, used to project the 1-DOF IMC controller, is presented and the decoupling of grid voltage by a Feedforward strategy is analyzed. A Proportional - Resonant Controller (P+Res) was used for the control of the same plant in the running of experimental results, thus moving towards the discussion of differences regarding IMC and P+Res performances, which arrived at the evaluation of the proposed control strategy. The results are presented for typical conditions, for weak-grid and for non-linear local load, in order to verify the behavior of the controller against such situations. Copyright © 2016 ISA. Published by Elsevier Ltd. All rights reserved.
Lattice-cell orientation disorder in complex spinel oxides

DOE PAGES

Chen, Yan; Cheng, Yongqiang; Li, Juchuan; ...

2016-11-07

Transition metal (TM) substitution has been widely applied to change complex oxides crystal structures to create high energy density electrodes materials in high performance rechargeable lithium-ion batteries. The complex local structure in the oxides imparted by the TM arrangement often impacts their electrochemical behaviors by influencing the diffusion and intercalation of lithium. Here, a major discrepancy is demonstrated between the global and local structures of the promising high energy density and high voltage LiNi 0.5Mn 1.5O 4 spinel cathode material that contradicts the existing structural models. A new single-phase lattice-cell orientation disorder model is proposed as the mechanism for themore » local ordering that explains how the inhomogeneous local distortions and the coherent connection give rise to the global structure in the complex oxide. As a result, the single-phase model is consistent with the electrochemical behavior observation of the materials.« less

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

Chen, Yan; Cheng, Yongqiang; Li, Juchuan

Transition metal (TM) substitution has been widely applied to change complex oxides crystal structures to create high energy density electrodes materials in high performance rechargeable lithium-ion batteries. The complex local structure in the oxides imparted by the TM arrangement often impacts their electrochemical behaviors by influencing the diffusion and intercalation of lithium. Here, a major discrepancy is demonstrated between the global and local structures of the promising high energy density and high voltage LiNi 0.5Mn 1.5O 4 spinel cathode material that contradicts the existing structural models. A new single-phase lattice-cell orientation disorder model is proposed as the mechanism for themore » local ordering that explains how the inhomogeneous local distortions and the coherent connection give rise to the global structure in the complex oxide. As a result, the single-phase model is consistent with the electrochemical behavior observation of the materials.« less
Modeling of Shock Waves with Multiple Phase Transitions in Condensed Materials

NASA Astrophysics Data System (ADS)

Missonnier, Marc; Heuzé, Olivier

2006-07-01

When a shock wave crosses a solid material and subjects it to solid-solid or solid-liquid phase transition, related phenomena occur: shock splitting, and the corresponding released shock wave after reflection. Modelling of these phenomena raises physical and numerical issues. After shock loading, such materials can reach different kinds of states: single-phase states, binary-phase states, and triple points. The thermodynamic path can be studied and easily understood in the (V,E) or (V,S) planes. In the case of 3 phase tin (β,γ, and liquid) submitted to shock waves, seven states can occur: β,γ, liquid, β-γ, β-liquid, γ-liquid, and β-γ-liquid. After studying the thermodynamic properties with a complete 3-phase Equation of State, we show the existence of these seven states with a hydrodynamic simulation.
Rényi information flow in the Ising model with single-spin dynamics.

PubMed

Deng, Zehui; Wu, Jinshan; Guo, Wenan

2014-12-01

The n-index Rényi mutual information and transfer entropies for the two-dimensional kinetic Ising model with arbitrary single-spin dynamics in the thermodynamic limit are derived as functions of ensemble averages of observables and spin-flip probabilities. Cluster Monte Carlo algorithms with different dynamics from the single-spin dynamics are thus applicable to estimate the transfer entropies. By means of Monte Carlo simulations with the Wolff algorithm, we calculate the information flows in the Ising model with the Metropolis dynamics and the Glauber dynamics, respectively. We find that not only the global Rényi transfer entropy, but also the pairwise Rényi transfer entropy, peaks in the disorder phase.
Lunar single-scattering, porosity, and surface-roughness properties with SMART-1/AMIE

NASA Astrophysics Data System (ADS)

Parviainen, H.; Muinonen, K.; Näränen, J.; Josset, J.-L.; Beauvivre, S.; Pinet, P.; Chevrel, S.; Koschny, D.; Grieger, B.; Foing, B.

2009-04-01

We analyze the single-scattering albedo and phase function, local surface roughness and regolith porosity, and the coherent backscattering, single scattering, and shadowing contributions to the opposition effect for specific lunar mare regions imaged by the SMART-1/AMIE camera. We account for shadowing due to surface roughness and mutual shadowing among the regolith particles with ray-tracing computations for densely-packed particulate media with a fractional-Brownian-motion interface with free space. The shadowing modeling allows us to derive the hundred-micron-scale volume-element scattering phase function for the lunar mare regolith. We explain the volume-element phase function by a coherent-backscattering model, where the single scatterers are the submicron-to-micron-scale particle inhomogeneities and/or the smallest particles on the lunar surface. We express the single-scatterer phase function as a sum of three Henyey-Greenstein terms, accounting for increased backward scattering in both narrow and wide angular ranges. The Moon exhibits an opposition effect, that is, a nonlinear increase of disk-integrated brightness with decreasing solar phase angle, the angle between the Sun and the observer as seen from the object. Recently, the coherent-backscattering mechanism (CBM) has been introduced to explain the opposition effect. CBM is a multiple-scattering interference mechanism, where reciprocal waves propagating through the same scatterers in opposite directions always interfere constructively in the backward-scattering direction but with varying interference characteristics in other directions. In addition to CBM, mutual shadowing among regolith particles (SMp) and rough-surface shadowing (SMr) have their effect on the behavior of the observed lunar surface brightness. In order to accrue knowledge on the volume-element and, ultimately, single-scattering properties of the lunar regolith, both SMp and SMr need to be accurately accounted for. We included four different lunar mare regions in our study. Each of these regions covers several hundreds of square kilometers of lunar surface. When selecting the regions, we have required that they have been imaged by AMIE across a wide range of phase angles, including the opposition geometry. The phase-angle range covered is 0-109 °, with incidence and emergence angles (Î¹ and Îµ) ranging within 7-87 ° and 0-53 °, respectively. The pixel scale varies from 288m down to 29m. Biases and dark currents were subtracted from the images in the usual way, followed by a flat-field correction. New dark-current reduction procedures have recently been derived from in-flight measurements to replace the ground-calibration images . The clear filter was chosen for the present study as it provides the largest field of view and is currently the best-calibrated channel. Off-nadir-pointing observations allowed for the extensive phase-angle coverage. In total, 220 images are used for the present study. The photometric data points were extracted as follows. First, on average, 50 sample areas of 10 Ã- 10 pixels were chosen by hand from each image. Second, the surface normal, Î¹, Îµ, °, and α were computed for each pixel in each sample area using the NASA/NAIF SPICE software toolkit with the latest and corrected SMART-1/AMIE SPICE kernels. Finally, the illumination angles and the observed intensity were averaged over each sample area. In total, the images used in the study resulted in approximately 11000 photometric sample points for the four mare regions. We make use of fractional-Brownian-motion surfaces in modeling the interface between free space and regolith and a size distribution of spherical particles in modeling the particulate medium. We extract the effects of the stochastic geometry from the lunar photometry and, simultaneously, obtain the volume-element scattering phase function of the lunar regolith locations studied. The volume-element phase function allows us to constrain the physical properties of the regolith particles. Based on the present theoretical modeling of the lunar photometry from SMART-1/AMIE, we conclude that most of the lunar mare opposition effect is caused by coherent backscattering and single scattering within volume elements comparable to lunar particle sizes, with only a small contribution from shadowing effects. We thus suggest that the lunar single scatterers exhibit intensity enhancement towards the backward scattering direction in resemblance to the scattering characteristics experimentally measured and theoretically computed for realistic small particles. Further interpretations of the lunar volume-element phase function will be the subject of future research.
Synchrony and entrainment properties of robust circadian oscillators

PubMed Central

Bagheri, Neda; Taylor, Stephanie R.; Meeker, Kirsten; Petzold, Linda R.; Doyle, Francis J.

2008-01-01

Systems theoretic tools (i.e. mathematical modelling, control, and feedback design) advance the understanding of robust performance in complex biological networks. We highlight phase entrainment as a key performance measure used to investigate dynamics of a single deterministic circadian oscillator for the purpose of generating insight into the behaviour of a population of (synchronized) oscillators. More specifically, the analysis of phase characteristics may facilitate the identification of appropriate coupling mechanisms for the ensemble of noisy (stochastic) circadian clocks. Phase also serves as a critical control objective to correct mismatch between the biological clock and its environment. Thus, we introduce methods of investigating synchrony and entrainment in both stochastic and deterministic frameworks, and as a property of a single oscillator or population of coupled oscillators. PMID:18426774
A High-Rate, Single-Crystal Model for Cyclotrimethylene Trinitramine including Phase Transformations and Plastic Slip

DOE PAGES

Addessio, Francis L.; Luscher, Darby Jon; Cawkwell, Marc Jon; ...

2017-05-14

A continuum model for the high-rate, thermo-mechanical deformation of single-crystal cyclotrimethylene trinitramine (RDX) is developed. The model includes the effects of anisotropy, large deformations, nonlinear thermo-elasticity, phase transformations, and plastic slip. A multiplicative decomposition of the deformation gradient is used. The volumetric elastic component of the deformation is accounted for through a free-energy based equation of state for the low- (α) and high-pressure (γ) polymorphs of RDX. Crystal plasticity is addressed using a phenomenological thermal activation model. The deformation gradient for the phase transformation is based on an approach that has been applied to martensitic transformations. Simulations were conducted andmore » compared to high-rate, impact loading of oriented RDX single crystals. The simulations considered multiple orientations of the crystal relative to the direction of shock loading and multiple sample thicknesses. Thirteen slip systems, which were inferred from indentation and x-ray topography, were used to model the α-polymorph. It is shown that by increasing the number of slip systems from the previously considered number of six (6) to thirteen (13) in the α-polymorph, better comparisons with data may be obtained. Simulations of impact conditions in the vicinity of the α- to γ-polymorph transformation (3.8 GPa) are considered. Eleven of the simulations, which were at pressures below the transformation value (3.0 GPa), were compared to experimental data. Comparison of the model was also made with available data for one experiment above the transformation pressure (4.4 GPa). Also, simulations are provided for a nominal pressure of 7.5 GPa to demonstrate the effect of the transformation kinetics on the deformation of a high-rate plate impact problem.« less
A High-Rate, Single-Crystal Model for Cyclotrimethylene Trinitramine including Phase Transformations and Plastic Slip

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

Addessio, Francis L.; Luscher, Darby Jon; Cawkwell, Marc Jon

A continuum model for the high-rate, thermo-mechanical deformation of single-crystal cyclotrimethylene trinitramine (RDX) is developed. The model includes the effects of anisotropy, large deformations, nonlinear thermo-elasticity, phase transformations, and plastic slip. A multiplicative decomposition of the deformation gradient is used. The volumetric elastic component of the deformation is accounted for through a free-energy based equation of state for the low- (α) and high-pressure (γ) polymorphs of RDX. Crystal plasticity is addressed using a phenomenological thermal activation model. The deformation gradient for the phase transformation is based on an approach that has been applied to martensitic transformations. Simulations were conducted andmore » compared to high-rate, impact loading of oriented RDX single crystals. The simulations considered multiple orientations of the crystal relative to the direction of shock loading and multiple sample thicknesses. Thirteen slip systems, which were inferred from indentation and x-ray topography, were used to model the α-polymorph. It is shown that by increasing the number of slip systems from the previously considered number of six (6) to thirteen (13) in the α-polymorph, better comparisons with data may be obtained. Simulations of impact conditions in the vicinity of the α- to γ-polymorph transformation (3.8 GPa) are considered. Eleven of the simulations, which were at pressures below the transformation value (3.0 GPa), were compared to experimental data. Comparison of the model was also made with available data for one experiment above the transformation pressure (4.4 GPa). Also, simulations are provided for a nominal pressure of 7.5 GPa to demonstrate the effect of the transformation kinetics on the deformation of a high-rate plate impact problem.« less
A New Multiphase Equation of State for SiO 2

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

Maerzke, Katie A.; Gammel, J. Tinka

SiO 2 is found as α-quartz at ambient conditions. Under shock compression, it transforms into a much higher density stishovite-like phase around 20 GPa, then into a liquid phase above 100 GPa. The SESAME library contains older equations of state for α-quartz, polycrystalline quartz, and fused quartz. These equations of state model the material as a single phase; i.e., there is no high pressure phase transition. Somewhat more recently (in 1992), Jon Boettger published equations of state for α-quartz, coesite, and stishovite, along with a phase transition model to mix them. However, we do not have a multiphase EOS thatmore » captures the phase transitions in this material. Others are working on a high-accuracy model for very high pressure SiO 2, since liquid quartz is used as an impedance matching standard above 100 GPa; however, we are focused on the 10-50 GPa range. This intermediate pressure range is most relevant for modeling the decomposition products of silicone polymers such as Sylgard 184 and SX358.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)

Renbaum-Wolff, Lindsay; Song, Mijung; Marcolli, Claudia

Particles consisting of secondary organic material (SOM) are abundant in the atmosphere. In order to predict the role of these particles in climate, visibility and atmospheric chemistry, information on particle phase state (i.e., single liquid, two liquids and solid) is needed. Our paper focuses on the phase state of SOM particles free of inorganic salts produced by the ozonolysis of α-pinene. Phase transitions were investigated in the laboratory using optical microscopy and theoretically using a thermodynamic model at 290 K and for relative humidities ranging from < 0.5 to 100%. In the laboratory studies, a single phase was observed frommore » 0 to 95% relative humidity (RH) while two liquid phases were observed above 95% RH. For increasing RH, the mechanism of liquid–liquid phase separation (LLPS) was spinodal decomposition. The RH range over which two liquid phases were observed did not depend on the direction of RH change. In the modeling studies, the SOM took up very little water and was a single organic-rich phase at low RH values. At high RH, the SOM underwent LLPS to form an organic-rich phase and a water-rich phase, consistent with the laboratory studies. The presence of LLPS at high RH values can have consequences for the cloud condensation nuclei (CCN) activity of SOM particles. In the simulated Köhler curves for SOM particles, two local maxima were observed. Depending on the composition of the SOM, the first or second maximum can determine the critical supersaturation for activation. Recently researchers have observed inconsistencies between measured CCN properties of SOM particles and hygroscopic growth measured below water saturation (i.e., hygroscopic parameters measured below water saturation were inconsistent with hygroscopic parameters measured above water saturation). Furthermore, the work presented here illustrates that such inconsistencies are expected for systems with LLPS when the water uptake at subsaturated conditions represents the hygroscopicity of an organic-rich phase while the barrier for CCN activation can be determined by the second maximum in the Köhler curve when the particles are water rich.« less
Rapid calculation of acoustic fields from arbitrary continuous-wave sources.

PubMed

Treeby, Bradley E; Budisky, Jakub; Wise, Elliott S; Jaros, Jiri; Cox, B T

2018-01-01

A Green's function solution is derived for calculating the acoustic field generated by phased array transducers of arbitrary shape when driven by a single frequency continuous wave excitation with spatially varying amplitude and phase. The solution is based on the Green's function for the homogeneous wave equation expressed in the spatial frequency domain or k-space. The temporal convolution integral is solved analytically, and the remaining integrals are expressed in the form of the spatial Fourier transform. This allows the acoustic pressure for all spatial positions to be calculated in a single step using two fast Fourier transforms. The model is demonstrated through several numerical examples, including single element rectangular and spherically focused bowl transducers, and multi-element linear and hemispherical arrays.
Four Methods for Completing the Conceptual Development Phase of Applied Theory Building Research in HRD

ERIC Educational Resources Information Center

Storberg-Walker, Julia; Chermack, Thomas J.

2007-01-01

The purpose of this article is to describe four methods for completing the conceptual development phase of theory building research for single or multiparadigm research. The four methods selected for this review are (1) Weick's method of "theorizing as disciplined imagination" (1989); (2) Whetten's method of "modeling as theorizing" (2002); (3)…
Phase response curves for models of earthquake fault dynamics

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

Franović, Igor, E-mail: franovic@ipb.ac.rs; Kostić, Srdjan; Perc, Matjaž

We systematically study effects of external perturbations on models describing earthquake fault dynamics. The latter are based on the framework of the Burridge-Knopoff spring-block system, including the cases of a simple mono-block fault, as well as the paradigmatic complex faults made up of two identical or distinct blocks. The blocks exhibit relaxation oscillations, which are representative for the stick-slip behavior typical for earthquake dynamics. Our analysis is carried out by determining the phase response curves of first and second order. For a mono-block fault, we consider the impact of a single and two successive pulse perturbations, further demonstrating how themore » profile of phase response curves depends on the fault parameters. For a homogeneous two-block fault, our focus is on the scenario where each of the blocks is influenced by a single pulse, whereas for heterogeneous faults, we analyze how the response of the system depends on whether the stimulus is applied to the block having a shorter or a longer oscillation period.« less
Validation of a numerical method for interface-resolving simulation of multicomponent gas-liquid mass transfer and evaluation of multicomponent diffusion models

NASA Astrophysics Data System (ADS)

Woo, Mino; Wörner, Martin; Tischer, Steffen; Deutschmann, Olaf

2018-03-01

The multicomponent model and the effective diffusivity model are well established diffusion models for numerical simulation of single-phase flows consisting of several components but are seldom used for two-phase flows so far. In this paper, a specific numerical model for interfacial mass transfer by means of a continuous single-field concentration formulation is combined with the multicomponent model and effective diffusivity model and is validated for multicomponent mass transfer. For this purpose, several test cases for one-dimensional physical or reactive mass transfer of ternary mixtures are considered. The numerical results are compared with analytical or numerical solutions of the Maxell-Stefan equations and/or experimental data. The composition-dependent elements of the diffusivity matrix of the multicomponent and effective diffusivity model are found to substantially differ for non-dilute conditions. The species mole fraction or concentration profiles computed with both diffusion models are, however, for all test cases very similar and in good agreement with the analytical/numerical solutions or measurements. For practical computations, the effective diffusivity model is recommended due to its simplicity and lower computational costs.
Exclusive Liquid Repellency: An Open Multi-Liquid-Phase Technology for Rare Cell Culture and Single-Cell Processing.

PubMed

Li, Chao; Yu, Jiaquan; Schehr, Jennifer; Berry, Scott M; Leal, Ticiana A; Lang, Joshua M; Beebe, David J

2018-05-23

The concept of high liquid repellency in multi-liquid-phase systems (e.g., aqueous droplets in an oil background) has been applied to areas of biomedical research to realize intrinsic advantages not available in single-liquid-phase systems. Such advantages have included minimizing analyte loss, facile manipulation of single-cell samples, elimination of biofouling, and ease of use regarding loading and retrieving of the sample. In this paper, we present generalized design rules for predicting the wettability of solid-liquid-liquid systems (especially for discrimination between exclusive liquid repellency (ELR) and finite liquid repellency) to extend the applications of ELR. We then apply ELR to two model systems with open microfluidic design in cell biology: (1) in situ underoil culture and combinatorial coculture of mammalian cells in order to demonstrate directed single-cell multiencapsulation with minimal waste of samples as compared to stochastic cell seeding and (2) isolation of a pure population of circulating tumor cells, which is required for certain downstream analyses including sequencing and gene expression profiling.
Analysis of WakeVAS Benefits Using ACES Build 3.2.1

NASA Technical Reports Server (NTRS)

Smith, Jeremy C.

2005-01-01

The FAA and NASA are currently engaged in a Wake Turbulence Research Program to revise wake turbulence separation standards, procedures, and criteria to increase airport capacity while maintaining or increasing safety. The research program is divided into three phases: Phase I near term procedural enhancements; Phase II wind dependent Wake Vortex Advisory System (WakeVAS) Concepts of Operations (ConOps); and Phase III farther term ConOps based on wake prediction and sensing. This report contains an analysis that evaluates the benefits of a closely spaced parallel runway (CSPR) Phase I ConOps, a single runway and CSPR Phase II ConOps and a single runway Phase III ConOps. A series of simulation runs were performed using the Airspace Concepts Evaluation System (ACES) Build 3.21 air traffic simulator to provide an initial assessment of the reduction in delay and cost savings obtained by the use of a WakeVAS at selected U.S. airports. The ACES simulator is being developed by NASA Ames Research Center as part of the Virtual Airspace Modelling and Simulation (VAMS) program.
Ganymede and Callisto - Surface textural dichotomies and photometric analysis

NASA Technical Reports Server (NTRS)

Buratti, Bonnie J.

1991-01-01

Complete solar phase curves of the Ganymede and Callisto leading and trailing hemispheres, which have been obtained by reducing Voyager imaging observations and combining them with ground-based telescopic data, are presently fit to scattering models in order to derive hemispherical values of the single scattering albedo, the single particle phase function (SPPF), the compaction state (CS) of the optically active portion of the regolith, and the mean slope angle of macroscopic features. While Callisto's leading side is composed of particles that are more strongly backscattering than the trailing side, no hemispheric differences are found in the CS, surface roughness, or SPPF.
Double-Line-Frequency Ripple Model, Analysis & Impedance Design for Energy Stored Single-Phase Quasi-Z Source Photovoltaic System

DOE PAGES

Liang, Weihua; Liu, Yushan; Ge, Baoming; ...

2017-09-08

The battery energy stored quasi-Z-source (BESqZS) based photovoltaic (PV) power generation system combines advantages of the qZS inverter and the battery energy storage system. But, the second harmonic (2ω) power ripple degrades the system’s performance and affects the system’s design. An accurate model to analyze the 2ω ripple is very important. The existing models did not consider the battery, or assumed a symmetric qZS network with L 1=L 2 and C 1=C 2, which limits the design freedom and causes oversized impedance parameters. Our paper proposes a comprehensive model for the single-phase BES-qZS-PV inverter system, where the battery is consideredmore » and there is no restriction of L 1=L 2 and C 1=C 2. Based on the built model, a BES-qZS impedance design method is proposed to mitigate the 2ω ripple with asymmetric qZS network. Simulation and experimental results verify the proposed 2ω ripple model and impedance design method.« less
Double-Line-Frequency Ripple Model, Analysis & Impedance Design for Energy Stored Single-Phase Quasi-Z Source Photovoltaic System

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

Liang, Weihua; Liu, Yushan; Ge, Baoming

The battery energy stored quasi-Z-source (BESqZS) based photovoltaic (PV) power generation system combines advantages of the qZS inverter and the battery energy storage system. But, the second harmonic (2ω) power ripple degrades the system’s performance and affects the system’s design. An accurate model to analyze the 2ω ripple is very important. The existing models did not consider the battery, or assumed a symmetric qZS network with L 1=L 2 and C 1=C 2, which limits the design freedom and causes oversized impedance parameters. Our paper proposes a comprehensive model for the single-phase BES-qZS-PV inverter system, where the battery is consideredmore » and there is no restriction of L 1=L 2 and C 1=C 2. Based on the built model, a BES-qZS impedance design method is proposed to mitigate the 2ω ripple with asymmetric qZS network. Simulation and experimental results verify the proposed 2ω ripple model and impedance design method.« less
30 CFR 77.905 - Connection of single-phase loads.

Code of Federal Regulations, 2012 CFR

2012-07-01

... COAL MINES Low- and Medium-Voltage Alternating Current Circuits § 77.905 Connection of single-phase loads. Single-phase loads shall be connected phase-to-phase in resistance grounded systems. ...
30 CFR 77.905 - Connection of single-phase loads.

Code of Federal Regulations, 2014 CFR

2014-07-01

... COAL MINES Low- and Medium-Voltage Alternating Current Circuits § 77.905 Connection of single-phase loads. Single-phase loads shall be connected phase-to-phase in resistance grounded systems. ...

30 CFR 77.905 - Connection of single-phase loads.

Code of Federal Regulations, 2013 CFR

2013-07-01

... COAL MINES Low- and Medium-Voltage Alternating Current Circuits § 77.905 Connection of single-phase loads. Single-phase loads shall be connected phase-to-phase in resistance grounded systems. ...
A method searching for optimum fractional order and its application in self-phase modulation induced nonlinear phase noise estimation in coherent optical fiber transmission systems

NASA Astrophysics Data System (ADS)

Huang, Chuan; Guo, Peng; Yang, Aiying; Qiao, Yaojun

2018-07-01

In single channel systems, the nonlinear phase noise only comes from the channel itself through self-phase modulation (SPM). In this paper, a fast-nonlinear effect estimation method is proposed based on fractional Fourier transformation (FrFT). The nonlinear phase noise caused by Self-phase modulation effect is accurately estimated for single model 10Gbaud OOK and RZ-QPSK signals with the fiber length range of 0-200 km and the launch power range of 1-10 mW. The pulse windowing is adopted to search the optimum fractional order for the OOK and RZ-QPSK signals. Since the nonlinear phase shift caused by the SPM effect is very small, the accurate optimum fractional order of the signal cannot be found based on the traditional method. In this paper, a new method magnifying the phase shift is proposed to get the accurate optimum order and thus the nonlinear phase shift is calculated. The simulation results agree with the theoretical analysis and the method is applicable to signals whose pulse type has the similar characteristics with Gaussian pulse.
Catalytic Ignition and Upstream Reaction Propagation in a Platinum Tube

NASA Technical Reports Server (NTRS)

Struk, P. M.; Dietrich, D. L.; Mellish, B. P.; Miller, F. J.; T'ien, J. S.

2007-01-01

A challenge for catalytic combustion in monolithic reactors at elevated temperatures is the start-up or "light-off" from a cold initial condition. In this work, we demonstrate a concept called "back-end catalytic ignition that potentially can be utilized in the light-off of catalytic monoliths. An external downstream flame or Joule heating raises the temperature of a small portion of the catalyst near the outlet initiating a localized catalytic reaction that propagates upstream heating the entire channel. This work uses a transient numerical model to demonstrate "back-end" ignition within a single channel which can characterize the overall performance of a monolith. The paper presents comparisons to an experiment using a single non-adiabatic channel but the concept can be extended to the adiabatic monolith case. In the model, the time scales associated with solid heat-up are typically several orders of magnitude larger than the gas-phase and chemical kinetic time-scales. Therefore, the model assumes a quasi-steady gas-phase with respect to a transient solid. The gas phase is one-dimensional. Appropriate correlations, however, account for heat and mass transfer in a direction perpendicular to the flow. The thermally-thin solid includes axial conduction. The gas phase, however, does not include axial conduction due to the high Peclet number flows. The model includes both detailed gas-phase and catalytic surface reactions. The experiment utilizes a pure platinum circular channel oriented horizontally though which a CO/O2 mixture (equivalence ratios ranging from 0.6 to 0.9) flows at 2 m/s.
A multiscale microstructural approach to ductile-phase toughened tungsten for plasma-facing materials

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

Nguyen, Ba Nghiep; Henager, Jr., Charles H.; Overman, Nicole R.

Increasing fracture toughness and modifying the ductile-brittle transition temperature of a tungsten-alloy relative to pure tungsten has been shown to be feasible by ductile-phase toughening (DPT) of tungsten for future plasma-facing materials for fusion energy. In DPT, a ductile phase is included in a brittle tungsten matrix to increase the overall work of fracture for the material. This research models the deformation behavior of DPT tungsten materials, such as tungsten-copper composites, using a multiscale modeling approach that involves a microstructural dual-phase (copper-tungsten) region of interest where the constituent phases are finely discretized and are described by a continuum damage mechanicsmore » model. Large deformation, damage, and fracture are allowed to occur and are modeled in a region that is connected to adjacent homogenized elastic regions to form a macroscopic structure, such as a test specimen. The present paper illustrates this multiscale modeling approach to analyze unnotched and single-edge notched (SENB) tungsten-copper composite specimens subjected to three-point bending. The predicted load-displacement responses and crack propagation patterns are compared to the corresponding experimental results to validate the model. Furthermore, such models may help design future DPT composite configurations for fusion materials, including volume fractions of ductile phase and microstructural optimization.« less
A multiscale microstructural approach to ductile-phase toughened tungsten for plasma-facing materials

DOE PAGES

Nguyen, Ba Nghiep; Henager, Jr., Charles H.; Overman, Nicole R.; ...

2018-05-23

Increasing fracture toughness and modifying the ductile-brittle transition temperature of a tungsten-alloy relative to pure tungsten has been shown to be feasible by ductile-phase toughening (DPT) of tungsten for future plasma-facing materials for fusion energy. In DPT, a ductile phase is included in a brittle tungsten matrix to increase the overall work of fracture for the material. This research models the deformation behavior of DPT tungsten materials, such as tungsten-copper composites, using a multiscale modeling approach that involves a microstructural dual-phase (copper-tungsten) region of interest where the constituent phases are finely discretized and are described by a continuum damage mechanicsmore » model. Large deformation, damage, and fracture are allowed to occur and are modeled in a region that is connected to adjacent homogenized elastic regions to form a macroscopic structure, such as a test specimen. The present paper illustrates this multiscale modeling approach to analyze unnotched and single-edge notched (SENB) tungsten-copper composite specimens subjected to three-point bending. The predicted load-displacement responses and crack propagation patterns are compared to the corresponding experimental results to validate the model. Furthermore, such models may help design future DPT composite configurations for fusion materials, including volume fractions of ductile phase and microstructural optimization.« less
Combined discrete particle and continuum model predicting solid-state fermentation in a drum fermentor.

PubMed

Schutyser, M A I; Briels, W J; Boom, R M; Rinzema, A

2004-05-20

The development of mathematical models facilitates industrial (large-scale) application of solid-state fermentation (SSF). In this study, a two-phase model of a drum fermentor is developed that consists of a discrete particle model (solid phase) and a continuum model (gas phase). The continuum model describes the distribution of air in the bed injected via an aeration pipe. The discrete particle model describes the solid phase. In previous work, mixing during SSF was predicted with the discrete particle model, although mixing simulations were not carried out in the current work. Heat and mass transfer between the two phases and biomass growth were implemented in the two-phase model. Validation experiments were conducted in a 28-dm3 drum fermentor. In this fermentor, sufficient aeration was provided to control the temperatures near the optimum value for growth during the first 45-50 hours. Several simulations were also conducted for different fermentor scales. Forced aeration via a single pipe in the drum fermentors did not provide homogeneous cooling in the substrate bed. Due to large temperature gradients, biomass yield decreased severely with increasing size of the fermentor. Improvement of air distribution would be required to avoid the need for frequent mixing events, during which growth is hampered. From these results, it was concluded that the two-phase model developed is a powerful tool to investigate design and scale-up of aerated (mixed) SSF fermentors. Copyright 2004 Wiley Periodicals, Inc.
30 CFR 77.806 - Connection of single-phase loads.

Code of Federal Regulations, 2010 CFR

2010-07-01

... COAL MINES Surface High-Voltage Distribution § 77.806 Connection of single-phase loads. Single-phase loads, such as transformer primaries, shall be connected phase to phase in resistance grounded systems. ...
Breakdown of single spin-fluid model in the heavily hole-doped superconductor CsFe2As2

NASA Astrophysics Data System (ADS)

Zhao, D.; Li, S. J.; Wang, N. Z.; Li, J.; Song, D. W.; Zheng, L. X.; Nie, L. P.; Luo, X. G.; Wu, T.; Chen, X. H.

2018-01-01

Although Fe-based superconductors are correlated electronic systems with multiorbital, previous nuclear magnetic resonance (NMR) measurement suggests that a single spin-fluid model is sufficient to describe its spin behavior. Here, we first observed the breakdown of single spin-fluid model in a heavily hole-doped Fe-based superconductor CsFe2As2 by site-selective NMR measurement. At high-temperature regime, both Knight shift and nuclear spin-lattice relaxation at 133Cs and 75As nuclei exhibit distinct temperature-dependent behavior, suggesting the breakdown of the single spin-fluid model in CsFe2As2 . This is ascribed to the coexistence of both localized and itinerant spin degree of freedom at 3 d orbitals, which is consistent with the orbital-selective Mott phase. With decreasing temperature, the single spin-fluid behavior is recovered below T*˜75 K due to a coherent state among 3 d orbitals. The Kondo liquid scenario is proposed to understand the low-temperature coherent state.
Evaluation of a locally homogeneous model of spray evaporation

NASA Technical Reports Server (NTRS)

Shearer, A. J.; Faeth, G. M.; Tamura, H.

1978-01-01

Measurements were conducted on an evaporating spray in a stagnant environment. The spray was formed using an air-atomizing injector to yield a Sauter mean diameter of the order of 30 microns. The region where evaporation occurred extended approximately 1 m from the injector for the test conditions. Profiles of mean velocity, temperature, composition, and drop size distribution, as well as velocity fluctuations and Reynolds stress, were measured. The results are compared with a locally homogeneous two-phase flow model which implies no velocity difference and thermodynamic equilibrium between the phases. The flow was represented by a k-epsilon-g turbulence model employing a clipped Gaussian probability density function for mixture fraction fluctuations. The model provides a good representation of earlier single-phase jet measurements, but generally overestimates the rate of development of the spray. Using the model predictions to represent conditions along the centerline of the spray, drop life-history calculations were conducted which indicate that these discrepancies are due to slip and loss of thermodynamic equilibrium between the phases.
Recent theoretical advances on superradiant phase transitions

NASA Astrophysics Data System (ADS)

Baksic, Alexandre; Nataf, Pierre; Ciuti, Cristiano

2013-03-01

The Dicke model describing a single-mode boson field coupled to two-level systems is an important paradigm in quantum optics. In particular, the physics of ``superradiant phase transitions'' in the ultrastrong coupling regime is the subject of a vigorous research activity in both cavity and circuit QED. Recently, we explored the rich physics of two interesting generalizations of the Dicke model: (i) A model describing the coupling of a boson mode to two independent chains A and B of two-level systems, where chain A is coupled to one quadrature of the boson field and chain B to the orthogonal quadrature. This original model leads to a quantum phase transition with a double symmetry breaking and a fourfold ground state degeneracy. (ii) A generalized Dicke model with three-level systems including the diamagnetic term. In contrast to the case of two-level atoms for which no-go theorems exist, in the case of three-level system we prove that the Thomas-Reich-Kuhn sum rule does not always prevent a superradiant phase transition.
Synchronous, Alternating, and Phase-Locked Stridulation by a Tropical Katydid

NASA Astrophysics Data System (ADS)

Sismondo, Enrico

1990-07-01

In the field the chirps of neighboring Mecopoda sp. (Orthoptera, Tettigoniidae, and Mecopodinae) males are normally synchronized, but between more distant individuals the chirps are either synchronous or regularly alternating. The phase response to single-stimulus chirps depends on both the phase and the intensity of the stimulus. Iteration of the Poincare map of the phase response predicts a variety of phase-locked synchronization regimes, including period-doubling bifurcations, in close agreement with experimental observations. The versatile acoustic behavior of Mecopoda encompasses most of the phenomena found in other synchronizing insects and thus provides a general model of insect synchronization behavior.
Agent-based spin model for financial markets on complex networks: Emergence of two-phase phenomena

NASA Astrophysics Data System (ADS)

Kim, Yup; Kim, Hong-Joo; Yook, Soon-Hyung

2008-09-01

We study a microscopic model for financial markets on complex networks, motivated by the dynamics of agents and their structure of interaction. The model consists of interacting agents (spins) with local ferromagnetic coupling and global antiferromagnetic coupling. In order to incorporate more realistic situations, we also introduce an external field which changes in time. From numerical simulations, we find that the model shows two-phase phenomena. When the local ferromagnetic interaction is balanced with the global antiferromagnetic interaction, the resulting return distribution satisfies a power law having a single peak at zero values of return, which corresponds to the market equilibrium phase. On the other hand, if local ferromagnetic interaction is dominant, then the return distribution becomes double peaked at nonzero values of return, which characterizes the out-of-equilibrium phase. On random networks, the crossover between two phases comes from the competition between two different interactions. However, on scale-free networks, not only the competition between the different interactions but also the heterogeneity of underlying topology causes the two-phase phenomena. Possible relationships between the critical phenomena of spin system and the two-phase phenomena are discussed.
How Do Particle Shape and Internal Composition Affect Optical Properties of Atmospheric Dust: Studies of Individual Particles Based on Focused Ion-Beam Tomography

NASA Astrophysics Data System (ADS)

Conny, J. M.; Ortiz-Montalvo, D. L.

2017-12-01

In the remote sensing of atmospheric aerosols, coarse-mode dust particles are often modeled optically as a collection of spheroids. However, atmospheric particles rarely resemble simplified shapes such as spheroids. Moreover, individual particles often have a heterogenous composition and may not be sufficiently modeled as a single material. In this work, we determine the optical properties of dust particles based on 3-dimensional models of individual particles from focused ion-beam (FIB) tomography. We compare the optical properties of the actual particles with the particles as simplified shapes including one or more spheres, an ellipsoid, cube, rectangular prism, or tetrahedron. FIB tomography is performed with a scanning electron microscope equipped with an ion-beam column. The ion beam slices through the particle incrementally as the electron beam images each slice. Element maps of the particle may be acquired with energy-dispersive x-ray spectroscopy. The images and maps are used to create the 3-D spatial model, from which the discrete dipole approximation method is used to calculate extinction, single scattering albedo, asymmetry parameter, and the phase function. Models of urban dust show that shape is generally more important than accounting for composition heterogeneity. However, if a particle has material phases with widely-varying refractive indexes, a geometric model may be insufficient if it does not incorporate heterogeneity. Models of Asian dust show that geometric models generally exhibit lower extinction efficiencies than the actual particles suggesting that simplified models do not adequately account for particle surface roughness. Nevertheless, in most cases the extinction from the tetrahedron model comes closest to that of the actual particles suggesting that accounting for particle angularity is important. The phase function from the tetrahedron model is comparable to the ellipsoid model and generally close to the actual particle, particularly in the backscatter direction (90° to 180°). Current work focuses on optical models of particles with a strongly-absorbing soot phase attached to a scattering mineral phase.
Ecological communities with Lotka-Volterra dynamics

NASA Astrophysics Data System (ADS)

Bunin, Guy

2017-04-01

Ecological communities in heterogeneous environments assemble through the combined effect of species interaction and migration. Understanding the effect of these processes on the community properties is central to ecology. Here we study these processes for a single community subject to migration from a pool of species, with population dynamics described by the generalized Lotka-Volterra equations. We derive exact results for the phase diagram describing the dynamical behaviors, and for the diversity and species abundance distributions. A phase transition is found from a phase where a unique globally attractive fixed point exists to a phase where multiple dynamical attractors exist, leading to history-dependent community properties. The model is shown to possess a symmetry that also establishes a connection with other well-known models.
Ecological communities with Lotka-Volterra dynamics.

PubMed

Bunin, Guy

2017-04-01

Ecological communities in heterogeneous environments assemble through the combined effect of species interaction and migration. Understanding the effect of these processes on the community properties is central to ecology. Here we study these processes for a single community subject to migration from a pool of species, with population dynamics described by the generalized Lotka-Volterra equations. We derive exact results for the phase diagram describing the dynamical behaviors, and for the diversity and species abundance distributions. A phase transition is found from a phase where a unique globally attractive fixed point exists to a phase where multiple dynamical attractors exist, leading to history-dependent community properties. The model is shown to possess a symmetry that also establishes a connection with other well-known models.
The effect of model fidelity on prediction of char burnout for single-particle coal combustion

DOE PAGES

McConnell, Josh; Sutherland, James C.

2016-07-09

In this study, practical simulation of industrial-scale coal combustion relies on the ability to accurately capture the dynamics of coal subprocesses while also ensuring the computational cost remains reasonable. The majority of the residence time occurs post-devolatilization, so it is of great importance that a balance between the computational efficiency and accuracy of char combustion models is carefully considered. In this work, we consider the importance of model fidelity during char combustion by comparing combinations of simple and complex gas and particle-phase chemistry models. Detailed kinetics based on the GRI 3.0 mechanism and infinitely-fast chemistry are considered in the gas-phase.more » The Char Conversion Kinetics model and nth-Order Langmuir–Hinshelwood model are considered for char consumption. For devolatilization, the Chemical Percolation and Devolatilization and Kobayashi-Sarofim models are employed. The relative importance of gasification versus oxidation reactions in air and oxyfuel environments is also examined for various coal types. Results are compared to previously published experimental data collected under laminar, single-particle conditions. Calculated particle temperature histories are strongly dependent on the choice of gas phase and char chemistry models, but only weakly dependent on the chosen devolatilization model. Particle mass calculations were found to be very sensitive to the choice of devolatilization model, but only somewhat sensitive to the choice of gas chemistry and char chemistry models. High-fidelity models for devolatilization generally resulted in particle temperature and mass calculations that were closer to experimentally observed values.« less
The effect of model fidelity on prediction of char burnout for single-particle coal combustion

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

McConnell, Josh; Sutherland, James C.

In this study, practical simulation of industrial-scale coal combustion relies on the ability to accurately capture the dynamics of coal subprocesses while also ensuring the computational cost remains reasonable. The majority of the residence time occurs post-devolatilization, so it is of great importance that a balance between the computational efficiency and accuracy of char combustion models is carefully considered. In this work, we consider the importance of model fidelity during char combustion by comparing combinations of simple and complex gas and particle-phase chemistry models. Detailed kinetics based on the GRI 3.0 mechanism and infinitely-fast chemistry are considered in the gas-phase.more » The Char Conversion Kinetics model and nth-Order Langmuir–Hinshelwood model are considered for char consumption. For devolatilization, the Chemical Percolation and Devolatilization and Kobayashi-Sarofim models are employed. The relative importance of gasification versus oxidation reactions in air and oxyfuel environments is also examined for various coal types. Results are compared to previously published experimental data collected under laminar, single-particle conditions. Calculated particle temperature histories are strongly dependent on the choice of gas phase and char chemistry models, but only weakly dependent on the chosen devolatilization model. Particle mass calculations were found to be very sensitive to the choice of devolatilization model, but only somewhat sensitive to the choice of gas chemistry and char chemistry models. High-fidelity models for devolatilization generally resulted in particle temperature and mass calculations that were closer to experimentally observed values.« less
A three-level advanced static VAr compensator

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

Ekanayake, J.B.; Jenkins, N.

1996-01-01

An Advanced Static VAr Compensator (ASVC) employing a three level inverter has been investigated for three phase applications. The paper describes the operating principles of the ASVC using an elementary single phase ASVC circuit. The construction of a hardware model of the three phase, three level ASVC is then presented. The performance of the ASVC is obtained from an experimental study carried out on this laboratory model. The use of the selective harmonic elimination modulation (SHEM) technique to minimize harmonics is explored. Experimental studies have been carried out to determine the speed of response of the scheme by controlling itmore » in a closed loop.« less
Derivation of phase functions from multiply scattered sunlight transmitted through a hazy atmosphere

NASA Technical Reports Server (NTRS)

Weinman, J. A.; Twitty, J. T.; Browning, S. R.; Herman, B. M.

1975-01-01

The intensity of sunlight multiply scattered in model atmospheres is derived from the equation of radiative transfer by an analytical small-angle approximation. The approximate analytical solutions are compared to rigorous numerical solutions of the same problem. Results obtained from an aerosol-laden model atmosphere are presented. Agreement between the rigorous and the approximate solutions is found to be within a few per cent. The analytical solution to the problem which considers an aerosol-laden atmosphere is then inverted to yield a phase function which describes a single scattering event at small angles. The effect of noisy data on the derived phase function is discussed.
Model-based multi-fringe interferometry using Zernike polynomials

NASA Astrophysics Data System (ADS)

Gu, Wei; Song, Weihong; Wu, Gaofeng; Quan, Haiyang; Wu, Yongqian; Zhao, Wenchuan

2018-06-01

In this paper, a general phase retrieval method is proposed, which is based on one single interferogram with a small amount of fringes (either tilt or power). Zernike polynomials are used to characterize the phase to be measured; the phase distribution is reconstructed by a non-linear least squares method. Experiments show that the proposed method can obtain satisfactory results compared to the standard phase-shifting interferometry technique. Additionally, the retrace errors of proposed method can be neglected because of the few fringes; it does not need any auxiliary phase shifting facilities (low cost) and it is easy to implement without the process of phase unwrapping.

Gas-phase geometry optimization of biological molecules as a reasonable alternative to a continuum environment description: fact, myth, or fiction?

PubMed

Sousa, Sérgio Filipe; Fernandes, Pedro Alexandrino; Ramos, Maria João

2009-12-31

Gas-phase optimization of single biological molecules and of small active-site biological models has become a standard approach in first principles computational enzymology. The important role played by the surrounding environment (solvent, enzyme, both) is normally only accounted for through higher-level single point energy calculations performed using a polarizable continuum model (PCM) and an appropriate dielectric constant with the gas-phase-optimized geometries. In this study we analyze this widely used approximation, by comparing gas-phase-optimized geometries with geometries optimized with different PCM approaches (and considering different dielectric constants) for a representative data set of 20 very important biological molecules--the 20 natural amino acids. A total of 323 chemical bonds and 469 angles present in standard amino acid residues were evaluated. The results show that the use of gas-phase-optimized geometries can in fact be quite a reasonable alternative to the use of the more computationally intensive continuum optimizations, providing a good description of bond lengths and angles for typical biological molecules, even for charged amino acids, such as Asp, Glu, Lys, and Arg. This approximation is particularly successful if the protonation state of the biological molecule could be reasonably described in vacuum, a requirement that was already necessary in first principles computational enzymology.
Reconstructing the plinian and co-ignimbrite sources of large volcanic eruptions: A novel approach for the Campanian Ignimbrite

PubMed Central

Marti, Alejandro; Folch, Arnau; Costa, Antonio; Engwell, Samantha

2016-01-01

The 39 ka Campanian Ignimbrite (CI) super-eruption was the largest volcanic eruption of the past 200 ka in Europe. Tephra deposits indicate two distinct plume forming phases, Plinian and co-ignimbrite, characteristic of many caldera-forming eruptions. Previous numerical studies have characterized the eruption as a single-phase event, potentially leading to inaccurate assessment of eruption dynamics. To reconstruct the volume, intensity, and duration of the tephra dispersal, we applied a computational inversion method that explicitly accounts for the Plinian and co-ignimbrite phases and for gravitational spreading of the umbrella cloud. To verify the consistency of our results, we performed an additional single-phase inversion using an independent thickness dataset. Our better-fitting two-phase model suggests a higher mass eruption rate than previous studies, and estimates that 3/4 of the total fallout volume is co-ignimbrite in origin. Gravitational spreading of the umbrella cloud dominates tephra transport only within the first hundred kilometres due to strong stratospheric winds in our best-fit wind model. Finally, tephra fallout impacts would have interrupted the westward migration of modern hominid groups in Europe, possibly supporting the hypothesis of prolonged Neanderthal survival in South-Western Europe during the Middle to Upper Palaeolithic transition. PMID:26883449
Self-consistent field theory of polymer-ionic molecule complexation.

PubMed

Nakamura, Issei; Shi, An-Chang

2010-05-21

A self-consistent field theory is developed for polymers that are capable of binding small ionic molecules (adsorbates). The polymer-ionic molecule association is described by Ising-like binding variables, C(i) ((a))(kDelta)(=0 or 1), whose average determines the number of adsorbed molecules, n(BI). Polymer gelation can occur through polymer-ionic molecule complexation in our model. For polymer-polymer cross-links through the ionic molecules, three types of solutions for n(BI) are obtained, depending on the equilibrium constant of single-ion binding. Spinodal lines calculated from the mean-field free energy exhibit closed-loop regions where the homogeneous phase becomes unstable. This phase instability is driven by the excluded-volume interaction due to the single occupancy of ion-binding sites on the polymers. Moreover, sol-gel transitions are examined using a critical degree of conversion. A gel phase is induced when the concentration of adsorbates is increased. At a higher concentration of the adsorbates, however, a re-entrance from a gel phase into a sol phase arises from the correlation between unoccupied and occupied ion-binding sites. The theory is applied to a model system, poly(vinyl alcohol) and borate ion in aqueous solution with sodium chloride. Good agreement between theory and experiment is obtained.
Reconstructing the plinian and co-ignimbrite sources of large volcanic eruptions: A novel approach for the Campanian Ignimbrite.

PubMed

Marti, Alejandro; Folch, Arnau; Costa, Antonio; Engwell, Samantha

2016-02-17

The 39 ka Campanian Ignimbrite (CI) super-eruption was the largest volcanic eruption of the past 200 ka in Europe. Tephra deposits indicate two distinct plume forming phases, Plinian and co-ignimbrite, characteristic of many caldera-forming eruptions. Previous numerical studies have characterized the eruption as a single-phase event, potentially leading to inaccurate assessment of eruption dynamics. To reconstruct the volume, intensity, and duration of the tephra dispersal, we applied a computational inversion method that explicitly accounts for the Plinian and co-ignimbrite phases and for gravitational spreading of the umbrella cloud. To verify the consistency of our results, we performed an additional single-phase inversion using an independent thickness dataset. Our better-fitting two-phase model suggests a higher mass eruption rate than previous studies, and estimates that 3/4 of the total fallout volume is co-ignimbrite in origin. Gravitational spreading of the umbrella cloud dominates tephra transport only within the first hundred kilometres due to strong stratospheric winds in our best-fit wind model. Finally, tephra fallout impacts would have interrupted the westward migration of modern hominid groups in Europe, possibly supporting the hypothesis of prolonged Neanderthal survival in South-Western Europe during the Middle to Upper Palaeolithic transition.
Simulating single-phase and two-phase non-Newtonian fluid flow of a digital rock scanned at high resolution

NASA Astrophysics Data System (ADS)

Tembely, Moussa; Alsumaiti, Ali M.; Jouini, Mohamed S.; Rahimov, Khurshed; Dolatabadi, Ali

2017-11-01

Most of the digital rock physics (DRP) simulations focus on Newtonian fluids and overlook the detailed description of rock-fluid interaction. A better understanding of multiphase non-Newtonian fluid flow at pore-scale is crucial for optimizing enhanced oil recovery (EOR). The Darcy scale properties of reservoir rocks such as the capillary pressure curves and the relative permeability are controlled by the pore-scale behavior of the multiphase flow. In the present work, a volume of fluid (VOF) method coupled with an adaptive meshing technique is used to perform the pore-scale simulation on a 3D X-ray micro-tomography (CT) images of rock samples. The numerical model is based on the resolution of the Navier-Stokes equations along with a phase fraction equation incorporating the dynamics contact model. The simulations of a single phase flow for the absolute permeability showed a good agreement with the literature benchmark. Subsequently, the code is used to simulate a two-phase flow consisting of a polymer solution, displaying a shear-thinning power law viscosity. The simulations enable to access the impact of the consistency factor (K), the behavior index (n), along with the two contact angles (advancing and receding) on the relative permeability.
Driving qubit phase gates with sech shaped pulses

NASA Astrophysics Data System (ADS)

Long, Junling; Ku, Hsiang-Sheng; Wu, Xian; Lake, Russell; Barnes, Edwin; Economou, Sophia; Pappas, David

As shown in 1932 by Rozen and Zener, the Rabi model has a unique solution whereby, for a given pulse length or amplitude, a sech(t/sigma) shaped pulse can be used to drive complete oscillations around the Bloch sphere that are independent of detuning with only a resultant detuning-dependent phase accumulation. Using this property, single qubit phase gates and two-qubit CZ gates have been proposed. In this work we explore the effect of different drive pulse shapes, i.e. square, Gaussian, and sech, as a function of detuning for Rabi oscillations of a superconducting transmon qubit. An arbitrary, single-qubit phase gate is demonstrated with the sech(t/sigma) pulse, and full tomography is performed to extract the fidelity. This is the first step towards high fidelity, low leakage two qubit CZ gates, and illustrates the efficacy of using analytic solutions of the qubit drive prior to optimal pulse shaping.
Regularized reconstruction of absorbing and phase objects from a single in-line hologram, application to fluid mechanics and micro-biology.

PubMed

Jolivet, Frédéric; Momey, Fabien; Denis, Loïc; Méès, Loïc; Faure, Nicolas; Grosjean, Nathalie; Pinston, Frédéric; Marié, Jean-Louis; Fournier, Corinne

2018-04-02

Reconstruction of phase objects is a central problem in digital holography, whose various applications include microscopy, biomedical imaging, and fluid mechanics. Starting from a single in-line hologram, there is no direct way to recover the phase of the diffracted wave in the hologram plane. The reconstruction of absorbing and phase objects therefore requires the inversion of the non-linear hologram formation model. We propose a regularized reconstruction method that includes several physically-grounded constraints such as bounds on transmittance values, maximum/minimum phase, spatial smoothness or the absence of any object in parts of the field of view. To solve the non-convex and non-smooth optimization problem induced by our modeling, a variable splitting strategy is applied and the closed-form solution of the sub-problem (the so-called proximal operator) is derived. The resulting algorithm is efficient and is shown to lead to quantitative phase estimation on reconstructions of accurate simulations of in-line holograms based on the Mie theory. As our approach is adaptable to several in-line digital holography configurations, we present and discuss the promising results of reconstructions from experimental in-line holograms obtained in two different applications: the tracking of an evaporating droplet (size ∼ 100μm) and the microscopic imaging of bacteria (size ∼ 1μm).
Diffusion paths formation for Cu{sup +} ions in superionic Cu{sub 6}PS{sub 5}I single crystals studied in terms of structural phase transition

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

Gagor, A.; Pietraszko, A.; Kaynts, D.

2005-11-15

In order to understand the structural transformations leading to high ionic conductivity of Cu{sup +} ions in Cu{sub 6}PS{sub 5}I argyrodite compound, the detailed structure analysis based on single-crystal X-ray diffraction has been performed. Below the phase transition at T{sub c}=(144-169)K Cu{sub 6}PS{sub 5}I belongs to monoclinic, ferroelastic phase (space group Cc) with ordered copper sublattice. Above T{sub c} delocalization of copper ions begins and crystal changes the symmetry to cubic superstructure with space group F-43c (a{sup '}=19.528A, z=32). Finally, above T{sub 1}=274K increasing disordering of the Cu{sup +} ions heightens the symmetry to F-43m (a=9.794A, z=4). In this work,more » the final structural model of two cubic phases is presented including the detailed temperature evolution of positions and site occupation factors of copper ions (R{sub 1}=0.0397 for F-43c phase, and 0.0245 for F-43m phase). Possible diffusion paths for the copper ions are represented by means of the atomic displacement factors and split model. The structural results coincide well with the previously reported non-Arrhenius behavior of conductivity and indicate significant change in conduction mechanism.« less
Research on three-phase traffic flow modeling based on interaction range

NASA Astrophysics Data System (ADS)

Zeng, Jun-Wei; Yang, Xu-Gang; Qian, Yong-Sheng; Wei, Xu-Ting

2017-12-01

On the basis of the multiple velocity difference effect (MVDE) model and under short-range interaction, a new three-phase traffic flow model (S-MVDE) is proposed through careful consideration of the influence of the relationship between the speeds of the two adjacent cars on the running state of the rear car. The random slowing rule in the MVDE model is modified in order to emphasize the influence of vehicle interaction between two vehicles on the probability of vehicles’ deceleration. A single-lane model which without bottleneck structure under periodic boundary conditions is simulated, and it is proved that the traffic flow simulated by S-MVDE model will generate the synchronous flow of three-phase traffic theory. Under the open boundary, the model is expanded by adding an on-ramp, the congestion pattern caused by the bottleneck is simulated at different main road flow rates and on-ramp flow rates, which is compared with the traffic congestion pattern observed by Kerner et al. and it is found that the results are consistent with the congestion characteristics in the three-phase traffic flow theory.
Heat Pipe Planets

NASA Astrophysics Data System (ADS)

Moore, W. B.; Simon, J. I.

2018-05-01

We propose that cooling via volcanic heat pipes may provide a universal model of the way terrestrial bodies transition from a magma-ocean state into subsequent single-plate, stagnant-lid convection or plate tectonic phases.
User's manual for PANDA II: A computer code for calculating equations of state

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

Kerley, G.I.

1991-07-18

PANDA is an interactive computer code that is used to compute equations of state (EOS) for many classes of materials over a wide range of densities and temperatures. The first step in the development of a general EOS model is to determine the EOS for a one- component system, consisting of a single solid or fluid phase and a single chemical species. The results of several such calculations can then be combined to construct EOS for multiphase and multicomponent systems. For one-component solids and fluids, PANDA offers a variety of options for modeling various contributions to the EOS: the zeromore » Kelvin isotherm, lattice vibrations, fluid degrees of freedom, thermal electronic excitation and ionization, and molecular vibrational and rotational degrees of freedom. Two options are available for computing EOS for multicomponent systems from separate EOS for the individual species and phases. The phase transition model is used for a system of immiscible phases, each having the same chemical composition. In the mixture model, the components can be either miscible or immiscible and can have different chemical compositions; mixtures cab be either inert or reactive. PANDA provides over 50 commands that are used to define the EOS models, to make calculations and compare the models to experimental data, and to generate and maintain tabular EOS libraries for use in hydrocodes and other applications. Versions of the code available for the Cray (UNICOS and CTSS), SUN (UNIX), and VAX(VMS) machines, and a small version is available for personal computers (DOS). This report describes the EOS models, use of the commands, and several sample problems. 92 refs., 7 figs., 10 tabs.« less
GPU-accelerated phase-field simulation of dendritic solidification in a binary alloy

NASA Astrophysics Data System (ADS)

Yamanaka, Akinori; Aoki, Takayuki; Ogawa, Satoi; Takaki, Tomohiro

2011-03-01

The phase-field simulation for dendritic solidification of a binary alloy has been accelerated by using a graphic processing unit (GPU). To perform the phase-field simulation of the alloy solidification on GPU, a program code was developed with computer unified device architecture (CUDA). In this paper, the implementation technique of the phase-field model on GPU is presented. Also, we evaluated the acceleration performance of the three-dimensional solidification simulation by using a single NVIDIA TESLA C1060 GPU and the developed program code. The results showed that the GPU calculation for 5763 computational grids achieved the performance of 170 GFLOPS by utilizing the shared memory as a software-managed cache. Furthermore, it can be demonstrated that the computation with the GPU is 100 times faster than that with a single CPU core. From the obtained results, we confirmed the feasibility of realizing a real-time full three-dimensional phase-field simulation of microstructure evolution on a personal desktop computer.
Geometric curvature and phase of the Rabi model

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

Mao, Lijun; Huai, Sainan; Guo, Liping

2015-11-15

We study the geometric curvature and phase of the Rabi model. Under the rotating-wave approximation (RWA), we apply the gauge independent Berry curvature over a surface integral to calculate the Berry phase of the eigenstates for both single and two-qubit systems, which is found to be identical with the system of spin-1/2 particle in a magnetic field. We extend the idea to define a vacuum-induced geometric curvature when the system starts from an initial state with pure vacuum bosonic field. The induced geometric phase is related to the average photon number in a period which is possible to measure inmore » the qubit–cavity system. We also calculate the geometric phase beyond the RWA and find an anomalous sudden change, which implies the breakdown of the adiabatic theorem and the Berry phases in an adiabatic cyclic evolution are ill-defined near the anti-crossing point in the spectrum.« less
Quantum rotor model for a Bose-Einstein condensate of dipolar molecules.

PubMed

Armaitis, J; Duine, R A; Stoof, H T C

2013-11-22

We show that a Bose-Einstein condensate of heteronuclear molecules in the regime of small and static electric fields is described by a quantum rotor model for the macroscopic electric dipole moment of the molecular gas cloud. We solve this model exactly and find the symmetric, i.e., rotationally invariant, and dipolar phases expected from the single-molecule problem, but also an axial and planar nematic phase due to many-body effects. Investigation of the wave function of the macroscopic dipole moment also reveals squeezing of the probability distribution for the angular momentum of the molecules.
Single metal catalysis: DFT and CAS modelling of species involved in the Fe cation assisted transformation of acetylene to benzene

NASA Astrophysics Data System (ADS)

Altun, Zikri; Bleda, Erdi; Trindle, Carl

2017-09-01

Gas phase conversion of acetylene to benzene, assisted by a single metal cation such as Fe(+), Ru(+) and Rh(+), offers an attractive prospect for application of computational modelling techniques to catalytic processes. Gas phase processes are not complicated by environmental effects and the participation of a single metal atom is a significant simplification. Still the process is complex, owing to the possibility of several low-energy spin states and the abundance of alternative structures. By density functional theory modelling using recently developed models with range and dispersion corrections, we locate and characterise a number of extreme points on the FeC6H6(+) surface, some of which have not been described previously. These include eta-1, eta-2 and eta-3 complexes of Fe(+) with the C4H4 ring. We identify new FeC6H6(+) structures as well, which may be landmarks for the Fe(+)-catalysed production of benzene from acetylene. The Fe(+) benzene complex is the most stable species on the FeC6H6 cation surface. With the abundant energy of complexation available in the isolated gas phase species, detachment of the Fe(+) and production of benzene can be efficient. We address the issue raised by other investigators whether multi-configurational self-consistent field methods are essential to the proper description of these systems. We find that the relative energy of intrinsically multi-determinant doublets is strongly affected, but judge that the density functional theory (DFT) description provides more accurate estimates of energetics and a more plausible reaction path.
Phase-change memory: A continuous multilevel compact model of subthreshold conduction and threshold switching

NASA Astrophysics Data System (ADS)

Pigot, Corentin; Gilibert, Fabien; Reyboz, Marina; Bocquet, Marc; Zuliani, Paola; Portal, Jean-Michel

2018-04-01

Phase-change memory (PCM) compact modeling of the threshold switching based on a thermal runaway in Poole–Frenkel conduction is proposed. Although this approach is often used in physical models, this is the first time it is implemented in a compact model. The model accuracy is validated by a good correlation between simulations and experimental data collected on a PCM cell embedded in a 90 nm technology. A wide range of intermediate states is measured and accurately modeled with a single set of parameters, allowing multilevel programing. A good convergence is exhibited even in snapback simulation owing to this fully continuous approach. Moreover, threshold properties extraction indicates a thermally enhanced switching, which validates the basic hypothesis of the model. Finally, it is shown that this model is compliant with a new drift-resilient cell-state metric. Once enriched with a phase transition module, this compact model is ready to be implemented in circuit simulators.
Quantum Simulation of Spin Models on an Arbitrary Lattice with Trapped Ions (Open Access, Publisher’s Version)

DTIC Science & Technology

2012-09-27

onto a 2D array of N 2 micromirrors [33] that are each individually phase modulated at a single frequency (and phase) [34] and are finally focused on...beams that strike an N × N array of micromirrors each independently modulated, or a spatial light modulator. overhead to the design and fabrication of
Single-phase and two-phase flow properties of mesaverde tight sandstone formation; random-network modeling approach

NASA Astrophysics Data System (ADS)

Bashtani, Farzad; Maini, Brij; Kantzas, Apostolos

2016-08-01

3D random networks are constructed in order to represent the tight Mesaverde formation which is located in north Wyoming, USA. The porous-space is represented by pore bodies of different shapes and sizes which are connected to each other by pore throats of varying length and diameter. Pore bodies are randomly distributed in space and their connectivity varies based on the connectivity number distribution which is used in order to generate the network. Network representations are then validated using publicly available mercury porosimetry experiments. The network modeling software solves the fundamental equations of two-phase immiscible flow incorporating wettability and contact angle variability. Quasi-static displacement is assumed. Single phase macroscopic properties (porosity, permeability) are calculated and whenever possible are compared to experimental data. Using this information drainage and imbibition capillary pressure, and relative permeability curves are predicted and (whenever possible) compared to experimental data. The calculated information is grouped and compared to available literature information on typical behavior of tight formations. Capillary pressure curve for primary drainage process is predicted and compared to experimental mercury porosimetry in order to validate the virtual porous media by history matching. Relative permeability curves are also calculated and presented.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Kadoura, Ahmad, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa; Sun, Shuyu, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa; Siripatana, Adil, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa

In this work, two Polynomial Chaos (PC) surrogates were generated to reproduce Monte Carlo (MC) molecular simulation results of the canonical (single-phase) and the NVT-Gibbs (two-phase) ensembles for a system of normalized structureless Lennard-Jones (LJ) particles. The main advantage of such surrogates, once generated, is the capability of accurately computing the needed thermodynamic quantities in a few seconds, thus efficiently replacing the computationally expensive MC molecular simulations. Benefiting from the tremendous computational time reduction, the PC surrogates were used to conduct large-scale optimization in order to propose single-site LJ models for several simple molecules. Experimental data, a set of supercriticalmore » isotherms, and part of the two-phase envelope, of several pure components were used for tuning the LJ parameters (ε, σ). Based on the conducted optimization, excellent fit was obtained for different noble gases (Ar, Kr, and Xe) and other small molecules (CH{sub 4}, N{sub 2}, and CO). On the other hand, due to the simplicity of the LJ model used, dramatic deviations between simulation and experimental data were observed, especially in the two-phase region, for more complex molecules such as CO{sub 2} and C{sub 2} H{sub 6}.« less
Cell dimensions and antiferromagnetism of lunar and terrestrial ilmenite single crystals

USGS Publications Warehouse

Thorpe, A.N.; Minkin, J.A.; Senftle, F.E.; Alexander, Corrine; Briggs, Charles; Evans, H.T.; Nord, G.L.

1977-01-01

X-Ray diffraction and anisotropic magnetic measurements have been made on single crystals of lunar ilmenite and on terrestrial ilmenite from Bancroft, Ontario, Canada and the Ilmen Mountains, U.S.S.R. The elongated c-axis of lunar ilmenite, previously reported, is confirmed by new measurements. The shorter c-axis found in terrestrial specimens is ascribed to Fe3+ substitution for Ti4+ in the titanium layer. Magnetic measurements on the same specimens show that, in agreement with the Ishikawa-Shirane et al. model, the initial shortening of the c-axis by the above substitution of small amounts of Fe3+ (<8%) causes an increase in Fe2+-Fe2+ exchange coupling through Fe3+ in the titanium layer that lowers the Ne??el transition temperature. The Weiss temperatures and other magnetic parameters confirm this model proposed by Ishikawa and Shirane et al. Additional transitions found in one of the terrestrial specimens (Bancroft) have been ascribed to a small amount of an exsolved spinel phase, possibly a solid solution phase of magnetite-u??lvospinel. The spinel phase is localized in hematite-rich blebs which exsolved from the host ilmenite-rich phase. ?? 1977.

Analysis of the three-dimensional structure of a bubble wake using PIV and Galilean decomposition

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

Hassan, Y.A.; Schmidl, W.D.; Ortiz-Villafuerte, J.

1999-07-01

Bubbly flow plays a key role in a variety of natural and industrial processes. An accurate and complete description of the phase interactions in two-phase bubbly flow is not available at this time. These phase interactions are, in general, always three-dimensional and unsteady. Therefore, measurement techniques utilized to obtain qualitative and quantitative data from two-phase flow should be able to acquire transient and three-dimensional data, in order to provide information to test theoretical models and numerical simulations. Even for dilute bubble flows, in which bubble interaction is at a minimum, the turbulent motion of the liquid generated by the bubblemore » is yet to be completely understood. For many years, the design of systems with bubbly flows was based primarily on empiricism. Dilute bubbly flows are an extension of single bubble dynamics, and therefore improvements in the description and modeling of single bubble motion, the flow field around the bubble, and the dynamical interactions between the bubble and the flow will consequently improve bubbly flow modeling. The improved understanding of the physical phenomena will have far-reaching benefits in upgrading the operation and efficiency of current processes and in supporting the development of new and innovative approaches. A stereoscopic particle image velocimetry measurement of the flow generated by the passage of a single air-bubble rising in stagnant water, in a circular pipe is presented. Three-dimensional velocity fields within the measurement zone were obtained. Ensemble-averaged instantaneous velocities for a specific bubble path were calculated and interpolated to obtain mean three-dimensional velocity fields. A Galilean velocity decomposition is used to study the vorticity generated in the flow.« less
A model of stereocilia adaptation based on single molecule mechanical studies of myosin I.

PubMed Central

Batters, Christopher; Wallace, Mark I; Coluccio, Lynne M; Molloy, Justin E

2004-01-01

We have used an optical tweezers-based apparatus to perform single molecule mechanical experiments using the unconventional myosins, Myo1b and Myo1c. The single-headed nature and slow ATPase kinetics of these myosins make them ideal for detailed studies of the molecular mechanism of force generation by acto-myosin. Myo1c exhibits several features that have not been seen using fast skeletal muscle myosin II. (i) The working stroke occurs in two, distinct phases, producing an initial 3 nm and then a further 1.5 nm of movement. (ii) Two types of binding interaction were observed: short-lived ATP-independent binding events that produced no movement and longer-lived, ATP-dependent events that produced a full working stroke. The stiffness of both types of interaction was similar. (iii) In a new type of experiment, using feedback to apply controlled displacements to a single acto-myosin cross-bridge, we found abrupt changes in force during attachment of the acto-Myo1b cross-bridge, a result that is consistent with the classical 'T2' behaviour of single muscle fibres. Given that these myosins might exhibit the classical T2 behaviour, we propose a new model to explain the slow phase of sensory adaptation of the hair cells of the inner ear. PMID:15647165
A mixed-penalty biphasic finite element formulation incorporating viscous fluids and material interfaces.

PubMed

Chan, B; Donzelli, P S; Spilker, R L

2000-06-01

The fluid viscosity term of the fluid phase constitutive equation and the interface boundary conditions between biphasic, solid and fluid domains have been incorporated into a mixed-penalty finite element formulation of the linear biphasic theory for hydrated soft tissue. The finite element code can now model a single-phase viscous incompressible fluid, or a single-phase elastic solid, as limiting cases of a biphasic material. Interface boundary conditions allow the solution of problems involving combinations of biphasic, fluid and solid regions. To incorporate these conditions, the volume-weighted mixture velocity is introduced as a degree of freedom at interface nodes so that the kinematic continuity conditions are satisfied by conventional finite element assembly techniques. Results comparing our numerical method with an independent, analytic solution for the problem of Couette flow over rigid and deformable porous biphasic layers show that the finite element code accurately predicts the viscous fluid flows and deformation in the porous biphasic region. Thus, the analysis can be used to model the interface between synovial fluid and articular cartilage in diarthrodial joints. This is an important step toward modeling and understanding the mechanisms of joint lubrication and another step toward fully modeling the in vivo behavior of a diarthrodial joint.
Three Temperature Regimes in Superconducting Photon Detectors: Quantum, Thermal and Multiple Phase-Slips as Generators of Dark Counts

PubMed Central

Murphy, Andrew; Semenov, Alexander; Korneev, Alexander; Korneeva, Yulia; Gol’tsman, Gregory; Bezryadin, Alexey

2015-01-01

We perform measurements of the switching current distributions of three w ≈ 120 nm wide, 4 nm thick NbN superconducting strips which are used for single-photon detectors. These strips are much wider than the diameter of the vortex cores, so they are classified as quasi-two-dimensional (quasi-2D). We discover evidence of macroscopic quantum tunneling by observing the saturation of the standard deviation of the switching distributions at temperatures around 2 K. We analyze our results using the Kurkijärvi-Garg model and find that the escape temperature also saturates at low temperatures, confirming that at sufficiently low temperatures, macroscopic quantum tunneling is possible in quasi-2D strips and can contribute to dark counts observed in single photon detectors. At the highest temperatures the system enters a multiple phase-slip regime. In this range single phase-slips are unable to produce dark counts and the fluctuations in the switching current are reduced. PMID:25988591
Three temperature regimes in superconducting photon detectors: quantum, thermal and multiple phase-slips as generators of dark counts.

PubMed

Murphy, Andrew; Semenov, Alexander; Korneev, Alexander; Korneeva, Yulia; Gol'tsman, Gregory; Bezryadin, Alexey

2015-05-19

We perform measurements of the switching current distributions of three w ≈ 120 nm wide, 4 nm thick NbN superconducting strips which are used for single-photon detectors. These strips are much wider than the diameter of the vortex cores, so they are classified as quasi-two-dimensional (quasi-2D). We discover evidence of macroscopic quantum tunneling by observing the saturation of the standard deviation of the switching distributions at temperatures around 2 K. We analyze our results using the Kurkijärvi-Garg model and find that the escape temperature also saturates at low temperatures, confirming that at sufficiently low temperatures, macroscopic quantum tunneling is possible in quasi-2D strips and can contribute to dark counts observed in single photon detectors. At the highest temperatures the system enters a multiple phase-slip regime. In this range single phase-slips are unable to produce dark counts and the fluctuations in the switching current are reduced.
Impacts of Subgrid Heterogeneous Mixing between Cloud Liquid and Ice on the Wegner-Bergeron-Findeisen Process and Mixed-phase Clouds in NCAR CAM5

NASA Astrophysics Data System (ADS)

Liu, X.; Zhang, M.; Zhang, D.; Wang, Z.; Wang, Y.

2017-12-01

Mixed-phase clouds are persistently observed over the Arctic and the phase partitioning between cloud liquid and ice hydrometeors in mixed-phase clouds has important impacts on the surface energy budget and Arctic climate. In this study, we test the NCAR Community Atmosphere Model Version 5 (CAM5) with the single-column and weather forecast configurations and evaluate the model performance against observation data from the DOE Atmospheric Radiation Measurement (ARM) Program's M-PACE field campaign in October 2004 and long-term ground-based multi-sensor remote sensing measurements. Like most global climate models, we find that CAM5 also poorly simulates the phase partitioning in mixed-phase clouds by significantly underestimating the cloud liquid water content. Assuming pocket structures in the distribution of cloud liquid and ice in mixed-phase clouds as suggested by in situ observations provides a plausible solution to improve the model performance by reducing the Wegner-Bergeron-Findeisen (WBF) process rate. In this study, the modification of the WBF process in the CAM5 model has been achieved with applying a stochastic perturbation to the time scale of the WBF process relevant to both ice and snow to account for the heterogeneous mixture of cloud liquid and ice. Our results show that this modification of WBF process improves the modeled phase partitioning in the mixed-phase clouds. The seasonal variation of mixed-phase cloud properties is also better reproduced in the model in comparison with the long-term ground-based remote sensing observations. Furthermore, the phase partitioning is insensitive to the reassignment time step of perturbations.
New Density Functional Approach for Solid-Liquid-Vapor Transitions in Pure Materials

NASA Astrophysics Data System (ADS)

Kocher, Gabriel; Provatas, Nikolas

2015-04-01

A new phase field crystal (PFC) type theory is presented, which accounts for the full spectrum of solid-liquid-vapor phase transitions within the framework of a single density order parameter. Its equilibrium properties show the most quantitative features to date in PFC modeling of pure substances, and full consistency with thermodynamics in pressure-volume-temperature space is demonstrated. A method to control either the volume or the pressure of the system is also introduced. Nonequilibrium simulations show that 2- and 3-phase growth of solid, vapor, and liquid can be achieved, while our formalism also allows for a full range of pressure-induced transformations. This model opens up a new window for the study of pressure driven interactions of condensed phases with vapor, an experimentally relevant paradigm previously missing from phase field crystal theories.
Application of multiphase modelling for vortex occurrence in vertical pump intake - a review

NASA Astrophysics Data System (ADS)

Samsudin, M. L.; Munisamy, K. M.; Thangaraju, S. K.

2015-09-01

Vortex formation within pump intake is one of common problems faced for power plant cooling water system. This phenomenon, categorised as surface and sub-surface vortices, can lead to several operational problems and increased maintenance costs. Physical model study was recommended from published guidelines but proved to be time and resource consuming. Hence, the use of Computational Fluid Dynamics (CFD) is an attractive alternative in managing the problem. At the early stage, flow analysis was conducted using single phase simulation and found to find good agreement with the observation from physical model study. With the development of computers, multiphase simulation found further enhancement in obtaining accurate results for representing air entrainment and sub-surface vortices which were earlier not well predicted from the single phase simulation. The purpose of this paper is to describe the application of multiphase modelling with CFD analysis for investigating vortex formation for a vertically inverted pump intake. In applying multiphase modelling, there ought to be a balance between the acceptable usage for computational time and resources and the degree of accuracy and realism in the results as expected from the analysis.
RANS Simulation (Actuator Disk Model[ADM]) of the NREL Phase VI wind turbine modeled as MHK Turbine

DOE Data Explorer

Javaherchi, Teymour

2016-06-08

Attached are the .cas and .dat files for the Reynolds Averaged Navier-Stokes (RANS) simulation of a single lab-scaled DOE RM1 turbine implemented in ANSYS FLUENT CFD-package. In this case study the flow field around and in the wake of the NREL Phase VI wind turbine, modeled is MHK turbine, is simulated using Actuator Disk Model (a.k.a Porous Media) by solving RANS equations coupled with a turbulence closure model. It should be highlighted that in this simulation the actual geometry of the rotor blade is not modeled. The effect of turbine rotating blades are modeled using the Actuator Disk Theory (see the stated section of attached M.Sc. thesis for more details).
Differential memory in the trilinear model magnetotail

NASA Technical Reports Server (NTRS)

Chen, James; Mitchell, Horage G.; Palmadesso, Peter J.

1990-01-01

The previously proposed concept of 'differential memory' is quantitatively demonstrated using an idealized analytical model of particle dynamics in the magnetotail geometry. In this model (the 'trilinear' tail model) the magnetotail is divided into three regions. The particle orbits are solved exactly in each region, thus reducing the orbit integration to an analytical mapping. It is shown that the trilinear model reproduces the essential phase space features of the earlier model (Chen and Palmadesso, 1986), possessing well-defined entry and exit regions, and stochastic, integrable (regular), and transient orbits, occupying disjoint phase space regions. Different regions have widely separated characteristic time scales corresponding to different types of particle motion. Using the analytical model, the evolution of single-particle distribution functions is calculated.
Phase Fluctuations and a Negative U Hubbard Model: Single-Particle and Thermodyanic Properties in a Conserving Approximation

NASA Astrophysics Data System (ADS)

Serene, J. W.; Deisz, J. J.; Hess, D. W.

1997-03-01

Calculations performed in the fluctuation exchange approximation for the single-band 2D Hubbard model on a cylinder and threaded by a flux, show the appearance of a finite superfluid density below T ~ 0.13t, for U=-4t and at three-eighths filling.(J.J. Deisz, D.W. Hess, Bull. Am. Phys. Soc. 41, 239 (1996); J.J. Deisz, D.W. Hess, and J.W. Serene, in preparation.) We show the evolution, with decreasing temperature, of the single-particle spectral function, the self-energy, the particle-particle T-matrix, and thermodynamic properties as the superfluid state is approached and entered.
Two-phase adiabatic pressure drop experiments and modeling under micro-gravity conditions

NASA Astrophysics Data System (ADS)

Longeot, Matthieu J.; Best, Frederick R.

1995-01-01

Thermal systems for space applications based on two phase flow have several advantages over single phase systems. Two phase thermal energy management and dynamic power conversion systems have the capability of achieving high specific power levels. However, before two phase systems for space applications can be designed effectively, knowledge of the flow behavior in a ``0-g'' acceleration environment is necessary. To meet this need, two phase flow experiments were conducted by the Interphase Transport Phenomena Laboratory Group (ITP) aboard the National Aeronautics and Space Administration's (NASA) KC-135, using R12 as the working fluid. The present work is concerned with modeling of two-phase pressure drop under 0-g conditions, for bubbly and slug flow regimes. The set of data from the ITP group includes 3 bubbly points, 9 bubbly/slug points and 6 slug points. These two phase pressure drop data were collected in 1991 and 1992. A methodology to correct and validate the data was developed to achieve high levels of confidence. A homogeneous model was developed to predict the pressure drop for particular flow conditions. This model, which uses the Blasius Correlation, was found to be accurate for bubbly and bubbly/slug flows, with errors not larger than 28%. For slug flows, however, the errors are greater, attaining values up to 66%.
Modeling two-phase flow in PEM fuel cell channels

NASA Astrophysics Data System (ADS)

Wang, Yun; Basu, Suman; Wang, Chao-Yang

2008-05-01

This paper is concerned with the simultaneous flow of liquid water and gaseous reactants in mini-channels of a proton exchange membrane (PEM) fuel cell. Envisaging the mini-channels as structured and ordered porous media, we develop a continuum model of two-phase channel flow based on two-phase Darcy's law and the M2 formalism, which allow estimate of the parameters key to fuel cell operation such as overall pressure drop and liquid saturation profiles along the axial flow direction. Analytical solutions of liquid water saturation and species concentrations along the channel are derived to explore the dependences of these physical variables vital to cell performance on operating parameters such as flow stoichiometric ratio and relative humility. The two-phase channel model is further implemented for three-dimensional numerical simulations of two-phase, multi-component transport in a single fuel-cell channel. Three issues critical to optimizing channel design and mitigating channel flooding in PEM fuel cells are fully discussed: liquid water buildup towards the fuel cell outlet, saturation spike in the vicinity of flow cross-sectional heterogeneity, and two-phase pressure drop. Both the two-phase model and analytical solutions presented in this paper may be applicable to more general two-phase flow phenomena through mini- and micro-channels.
Silicon Nitride Equation of State

NASA Astrophysics Data System (ADS)

Swaminathan, Pazhayannur; Brown, Robert

2015-06-01

This report presents the development a global, multi-phase equation of state (EOS) for the ceramic silicon nitride (Si3N4) . Structural forms include amorphous silicon nitride normally used as a thin film and three crystalline polymorphs. Crystalline phases include hexagonal α-Si3N4, hexagonalβ-Si3N4, and the cubic spinel c-Si3N4. Decomposition at about 1900 °C results in a liquid silicon phase and gas phase products such as molecular nitrogen, atomic nitrogen, and atomic silicon. The silicon nitride EOS was developed using EOSPro which is a new and extended version of the PANDA II code. Both codes are valuable tools and have been used successfully for a variety of material classes. Both PANDA II and EOSPro can generate a tabular EOS that can be used in conjunction with hydrocodes. The paper describes the development efforts for the component solid phases and presents results obtained using the EOSPro phase transition model to investigate the solid-solid phase transitions in relation to the available shock data. Furthermore, the EOSPro mixture model is used to develop a model for the decomposition products and then combined with the single component solid models to study the global phase diagram. Sponsored by the NASA Goddard Space Flight Center Living With a Star program office.
Silicon nitride equation of state

NASA Astrophysics Data System (ADS)

Brown, Robert C.; Swaminathan, Pazhayannur K.

2017-01-01

This report presents the development of a global, multi-phase equation of state (EOS) for the ceramic silicon nitride (Si3N4).1 Structural forms include amorphous silicon nitride normally used as a thin film and three crystalline polymorphs. Crystalline phases include hexagonal α-Si3N4, hexagonal β-Si3N4, and the cubic spinel c-Si3N4. Decomposition at about 1900 °C results in a liquid silicon phase and gas phase products such as molecular nitrogen, atomic nitrogen, and atomic silicon. The silicon nitride EOS was developed using EOSPro which is a new and extended version of the PANDA II code. Both codes are valuable tools and have been used successfully for a variety of material classes. Both PANDA II and EOSPro can generate a tabular EOS that can be used in conjunction with hydrocodes. The paper describes the development efforts for the component solid phases and presents results obtained using the EOSPro phase transition model to investigate the solid-solid phase transitions in relation to the available shock data that have indicated a complex and slow time dependent phase change to the c-Si3N4 phase. Furthermore, the EOSPro mixture model is used to develop a model for the decomposition products; however, the need for a kinetic approach is suggested to combine with the single component solid models to simulate and further investigate the global phase coexistences.
Dicke-model simulation via cavity-assisted Raman transitions

NASA Astrophysics Data System (ADS)

Zhang, Zhiqiang; Lee, Chern Hui; Kumar, Ravi; Arnold, K. J.; Masson, Stuart J.; Grimsmo, A. L.; Parkins, A. S.; Barrett, M. D.

2018-04-01

The Dicke model is of fundamental importance in quantum mechanics for understanding the collective behavior of atoms coupled to a single electromagnetic mode. Here, we demonstrate a Dicke-model simulation via cavity-assisted Raman transitions in a configuration using counterpropagating laser beams. The observations indicate that motional effects should be included to fully account for the results. These results are contrary to experiments using single-beam and copropagating configurations. We give a theoretical description that accounts for the beam geometries used in the experiments and indicates the potential role of motional effects. In particular, a model is given that highlights the influence of Doppler broadening on the observed phase-transition thresholds.
Modelling of thermal field and point defect dynamics during silicon single crystal growth using CZ technique

NASA Astrophysics Data System (ADS)

Sabanskis, A.; Virbulis, J.

2018-05-01

Mathematical modelling is employed to numerically analyse the dynamics of the Czochralski (CZ) silicon single crystal growth. The model is axisymmetric, its thermal part describes heat transfer by conduction and thermal radiation, and allows to predict the time-dependent shape of the crystal-melt interface. Besides the thermal field, the point defect dynamics is modelled using the finite element method. The considered process consists of cone growth and cylindrical phases, including a short period of a reduced crystal pull rate, and a power jump to avoid large diameter changes. The influence of the thermal stresses on the point defects is also investigated.
Circadian Phase Resetting via Single and Multiple Control Targets

PubMed Central

Bagheri, Neda; Stelling, Jörg; Doyle, Francis J.

2008-01-01

Circadian entrainment is necessary for rhythmic physiological functions to be appropriately timed over the 24-hour day. Disruption of circadian rhythms has been associated with sleep and neuro-behavioral impairments as well as cancer. To date, light is widely accepted to be the most powerful circadian synchronizer, motivating its use as a key control input for phase resetting. Through sensitivity analysis, we identify additional control targets whose individual and simultaneous manipulation (via a model predictive control algorithm) out-perform the open-loop light-based phase recovery dynamics by nearly 3-fold. We further demonstrate the robustness of phase resetting by synchronizing short- and long-period mutant phenotypes to the 24-hour environment; the control algorithm is robust in the presence of model mismatch. These studies prove the efficacy and immediate application of model predictive control in experimental studies and medicine. In particular, maintaining proper circadian regulation may significantly decrease the chance of acquiring chronic illness. PMID:18795146
Micro-Raman scattering and dielectric investigations of phase transitions behavior in the PbHf0.7Sn0.3O3 single crystal

NASA Astrophysics Data System (ADS)

Jankowska-Sumara, Irena; Ko, Jae-Hyeon; Podgórna, Maria; Oh, Soo Han; Majchrowski, Andrzej

2017-09-01

Raman light scattering was used to detect the sequence of transitions in a PbHf1-xSnxO3 (PHS) single crystal with x = 0.30 in a temperature range of 77-873 K. Changes of Raman spectra were observed in the vicinity of structural phase transitions: between the antiferroelectric (AFE1)-antiferroelectric (AFE2)—intermediate—paraelectric phases. Light scattering and dielectric investigations were used to find out the nature and sequence of the phase transition, as well as the large dielectric permittivity values measured at the phase transition, by searching for the soft-phonon-mode behavior. The experimentally recorded spectra were analyzed in terms of the damped-harmonic oscillator model for the phonon bands. It is demonstrated that the structural phase transformations in PHS can be considered as the result of softening of many modes, not only the ferroelectric one. It was also proved that locally broken symmetry effects are present at temperatures far above the Curie temperature and are connected with the softening of two optic modes of different nature.
Dynamical analysis of surface-insulated planar wire array Z-pinches

NASA Astrophysics Data System (ADS)

Li, Yang; Sheng, Liang; Hei, Dongwei; Li, Xingwen; Zhang, Jinhai; Li, Mo; Qiu, Aici

2018-05-01

The ablation and implosion dynamics of planar wire array Z-pinches with and without surface insulation are compared and discussed in this paper. This paper first presents a phenomenological model named the ablation and cascade snowplow implosion (ACSI) model, which accounts for the ablation and implosion phases of a planar wire array Z-pinch in a single simulation. The comparison between experimental data and simulation results shows that the ACSI model could give a fairly good description about the dynamical characteristics of planar wire array Z-pinches. Surface insulation introduces notable differences in the ablation phase of planar wire array Z-pinches. The ablation phase is divided into two stages: insulation layer ablation and tungsten wire ablation. The two-stage ablation process of insulated wires is simulated in the ACSI model by updating the formulas describing the ablation process.

Computation of Phase Equilibria, State Diagrams and Gas/Particle Partitioning of Mixed Organic-Inorganic Aerosols

NASA Astrophysics Data System (ADS)

Zuend, A.; Marcolli, C.; Peter, T.

2009-04-01

The chemical composition of organic-inorganic aerosols is linked to several processes and specific topics in the field of atmospheric aerosol science. Photochemical oxidation of organics in the gas phase lowers the volatility of semi-volatile compounds and contributes to the particulate matter by gas/particle partitioning. Heterogeneous chemistry and changes in the ambient relative humidity influence the aerosol composition as well. Molecular interactions between condensed phase species show typically non-ideal thermodynamic behavior. Liquid-liquid phase separations into a mainly polar, aqueous and a less polar, organic phase may considerably influence the gas/particle partitioning of semi-volatile organics and inorganics (Erdakos and Pankow, 2004; Chang and Pankow, 2006). Moreover, the phases present in the aerosol particles feed back on the heterogeneous, multi-phase chemistry, influence the scattering and absorption of radiation and affect the CCN ability of the particles. Non-ideal thermodynamic behavior in mixtures is usually described by an expression for the excess Gibbs energy, enabling the calculation of activity coefficients. We use the group-contribution model AIOMFAC (Zuend et al., 2008) to calculate activity coefficients, chemical potentials and the total Gibbs energy of mixed organic-inorganic systems. This thermodynamic model was combined with a robust global optimization module to compute potential liquid-liquid (LLE) and vapor-liquid-liquid equilibria (VLLE) as a function of particle composition at room temperature. And related to that, the gas/particle partitioning of semi-volatile components. Furthermore, we compute the thermodynamic stability (spinodal limits) of single-phase solutions, which provides information on the process type and kinetics of a phase separation. References Chang, E. I. and Pankow, J. F.: Prediction of activity coefficients in liquid aerosol particles containing organic compounds, dissolved inorganic salts, and water - Part 2: Consideration of phase separation effects by an XUNIFAC model, Atmos. Environ., 40, 6422-6436, 2006. Erdakos, G. B. and Pankow, J. F.: Gas/particle partitioning of neutral and ionizing compounds to single- and multi-phase aerosol particles. 2. Phase separation in liquid particulate matter containing both polar and low-polarity organic compounds, Atmos. Environ., 38, 1005-1013, 2004. Zuend, A., Marcolli, C., Luo, B. P., and Peter, T.: A thermodynamic model of mixed organic-inorganic aerosols to predict activity coefficients, Atmos. Chem. Phys., 8, 4559-4593, 2008.
Consistent scalar and tensor perturbation power spectra in single fluid matter bounce with dark energy era

NASA Astrophysics Data System (ADS)

Bacalhau, Anna Paula; Pinto-Neto, Nelson; Vitenti, Sandro Dias Pinto

2018-04-01

We investigate cosmological scenarios containing one canonical scalar field with an exponential potential in the context of bouncing models, in which the bounce happens due to quantum cosmological effects. The only possible bouncing solutions in this scenario (discarding an infinitely fine-tuned exception) must have one and only one dark energy phase, occurring either in the contracting era or in the expanding era. Hence, these bounce solutions are necessarily asymmetric. Naturally, the more convenient solution is the one in which the dark energy phase happens in the expanding era, in order to be a possible explanation for the current accelerated expansion indicated by cosmological observations. In this case, one has the picture of a Universe undergoing a classical dust contraction from very large scales, the initial repeller of the model, moving to a classical stiff-matter contraction near the singularity, which is avoided due to the quantum bounce. The Universe is then launched to a dark energy era, after passing through radiation- and dust-dominated phases, finally returning to the dust expanding phase, the final attractor of the model. We calculate the spectral indices and amplitudes of scalar and tensor perturbations numerically, considering the whole history of the model, including the bounce phase itself, without making any approximation nor using any matching condition on the perturbations. As the background model is necessarily dust dominated in the far past, the usual adiabatic vacuum initial conditions can be easily imposed in this era. Hence, this is a cosmological model in which the presence of dark energy behavior in the Universe does not turn the usual vacuum initial conditions prescription for cosmological perturbation in bouncing models problematic. Scalar and tensor perturbations end up being almost scale invariant, as expected. The background parameters can be adjusted, without fine-tunings, to yield the observed amplitude for scalar perturbations and also for the ratio between tensor and scalar amplitudes, r =T /S ≲0.1 . The amplification of scalar perturbations over tensor perturbations takes place only around the bounce, due to quantum effects, and it would not occur if General Relativity has remained valid throughout this phase. Hence, this is a bouncing model in which a single field induces not only an expanding background dark energy phase but also produces all observed features of cosmological perturbations of quantum mechanical origin at linear order.
A model for wave propagation in a porous solid saturated by a three-phase fluid.

PubMed

Santos, Juan E; Savioli, Gabriela B

2016-02-01

This paper presents a model to describe the propagation of waves in a poroelastic medium saturated by a three-phase viscous, compressible fluid. Two capillary relations between the three fluid phases are included in the model by introducing Lagrange multipliers in the principle of virtual complementary work. This approach generalizes that of Biot for single-phase fluids and allows to determine the strain energy density, identify the generalized strains and stresses, and derive the constitutive relations of the system. The kinetic and dissipative energy density functions are obtained assuming that the relative flow within the pore space is of laminar type and obeys Darcy's law for three-phase flow in porous media. After deriving the equations of motion, a plane wave analysis predicts the existence of four compressional waves, denoted as type I, II, III, and IV waves, and one shear wave. Numerical examples showing the behavior of all waves as function of saturation and frequency are presented.
Martensitic and austenitic transformations in core-surface cubic nanoparticles

NASA Astrophysics Data System (ADS)

Özüm, S.; Yalçın, O.; Erdem, R.; Bayrakdar, H.; Eker, H. N.

2015-01-01

As a continuation of our recently published work, we have used the pair approximation in Kikuchi version to investigate martensitic and austenitic transformations in homogeneous (HM) and composite (CM) cubic nanoparticles (CNPs) based on the Blume-Emery-Griffiths model. A single cubic nanoparticle made of a core surrounded by a surface is considered as shaped in two dimensional (2D) square arrays instead of hexagonal array. From the phase diagrams of HM and CM-CNPs it has been observed that the martensitic-austenitic transformations (MT-AT) occurred. The influence of the exchange coupling and single-ion anisotropy parameters in the model Hamiltonian on the MT-AT is studied and analyzed in comparison with the results for hexagonal nanoparticles. Significant changes of the phase transition points and hysteresis behaviours depending upon the particle structure have been discussed.
Effects of complex life cycles on genetic diversity: cyclical parthenogenesis.

PubMed

Rouger, R; Reichel, K; Malrieu, F; Masson, J P; Stoeckel, S

2016-11-01

Neutral patterns of population genetic diversity in species with complex life cycles are difficult to anticipate. Cyclical parthenogenesis (CP), in which organisms undergo several rounds of clonal reproduction followed by a sexual event, is one such life cycle. Many species, including crop pests (aphids), human parasites (trematodes) or models used in evolutionary science (Daphnia), are cyclical parthenogens. It is therefore crucial to understand the impact of such a life cycle on neutral genetic diversity. In this paper, we describe distributions of genetic diversity under conditions of CP with various clonal phase lengths. Using a Markov chain model of CP for a single locus and individual-based simulations for two loci, our analysis first demonstrates that strong departures from full sexuality are observed after only a few generations of clonality. The convergence towards predictions made under conditions of full clonality during the clonal phase depends on the balance between mutations and genetic drift. Second, the sexual event of CP usually resets the genetic diversity at a single locus towards predictions made under full sexuality. However, this single recombination event is insufficient to reshuffle gametic phases towards full-sexuality predictions. Finally, for similar levels of clonality, CP and acyclic partial clonality (wherein a fixed proportion of individuals are clonally produced within each generation) differentially affect the distribution of genetic diversity. Overall, this work provides solid predictions of neutral genetic diversity that may serve as a null model in detecting the action of common evolutionary or demographic processes in cyclical parthenogens (for example, selection or bottlenecks).
30 CFR 75.905 - Connection of single-phase loads.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Alternating Current Circuits § 75.905 Connection of single-phase loads. [Statutory Provisions] Single-phase... 30 Mineral Resources 1 2011-07-01 2011-07-01 false Connection of single-phase loads. 75.905 Section 75.905 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR COAL MINE...
30 CFR 75.905 - Connection of single-phase loads.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Alternating Current Circuits § 75.905 Connection of single-phase loads. [Statutory Provisions] Single-phase... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Connection of single-phase loads. 75.905 Section 75.905 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR COAL MINE...
Floating liquid phase in sedimenting colloid-polymer mixtures.

PubMed

Schmidt, Matthias; Dijkstra, Marjolein; Hansen, Jean-Pierre

2004-08-20

Density functional theory and computer simulation are used to investigate sedimentation equilibria of colloid-polymer mixtures within the Asakura-Oosawa-Vrij model of hard sphere colloids and ideal polymers. When the ratio of buoyant masses of the two species is comparable to the ratio of differences in density of the coexisting bulk (colloid) gas and liquid phases, a stable "floating liquid" phase is found, i.e., a thin layer of liquid sandwiched between upper and lower gas phases. The full phase diagram of the mixture under gravity shows coexistence of this floating liquid phase with a single gas phase or a phase involving liquid-gas equilibrium; the phase coexistence lines meet at a triple point. This scenario remains valid for general asymmetric binary mixtures undergoing bulk phase separation.
Lattice model theory of the equation of state covering the gas, liquid, and solid phases

NASA Technical Reports Server (NTRS)

Bonavito, N. L.; Tanaka, T.; Chan, E. M.; Horiguchi, T.; Foreman, J. C.

1975-01-01

The three stable states of matter and the corresponding phase transitions were obtained with a single model. Patterned after Lennard-Jones and Devonshires's theory, a simple cubic lattice model containing two fcc sublattices (alpha and beta) is adopted. The interatomic potential is taken to be the Lennard-Jones (6-12) potential. Employing the cluster variation method, the Weiss and the pair approximations on the lattice gas failed to give the correct phase diagrams. Hybrid approximations were devised to describe the lattice term in the free energy. A lattice vibration term corresponding to a free volume correction is included semi-phenomenologically. The combinations of the lattice part and the free volume part yield the three states and the proper phase diagrams. To determine the coexistence regions, the equalities of the pressure and Gibbs free energy per molecule of the coexisting phases were utilized. The ordered branch of the free energy gives rise to the solid phase while the disordered branch yields the gas and liquid phases. It is observed that the triple point and the critical point quantities, the phase diagrams and the coexistence regions plotted are in good agreement with the experimental values and graphs for argon.
Physarum polycephalum Percolation as a Paradigm for Topological Phase Transitions in Transportation Networks

NASA Astrophysics Data System (ADS)

Fessel, Adrian; Oettmeier, Christina; Bernitt, Erik; Gauthier, Nils C.; Döbereiner, Hans-Günther

2012-08-01

We study the formation of transportation networks of the true slime mold Physarum polycephalum after fragmentation by shear. Small fragments, called microplasmodia, fuse to form macroplasmodia in a percolation transition. At this topological phase transition, one single giant component forms, connecting most of the previously isolated microplasmodia. Employing the configuration model of graph theory for small link degree, we have found analytically an exact solution for the phase transition. It is generally applicable to percolation as seen, e.g., in vascular networks.
Single phase computed tomography is equivalent to dual phase method for localizing hyperfunctioning parathyroid glands in patients with primary hyperparathyroidism: a retrospective review

PubMed Central

Morón, Fanny; Delumpa, Alfred; Guffey, Danielle; Dunaway, David

2017-01-01

Objective This study aims to compare the sensitivity of dual phase (non-contrast and arterial) versus single phase (arterial) CT for detection of hyper-functioning parathyroid glands in patients with primary hyperparathyroidism. Methods The CT scans of thirty-two patients who have biochemical evidence of primary hyperparathyroidism, pathologically proven parathyroid adenomas, and pre-operative multiphase parathyroid imaging were evaluated retrospectively in order to compare the adequacy of single phase vs. dual phase CT scans for the detection of parathyroid adenomas. Results The parathyroid adenomas were localized in 83% of cases on single arterial phase CT and 80% of cases on dual phase CT. The specificity for localization of parathyroid tumor was 96% for single phase CT and 97% for dual phase CT. The results were not significantly different (p = 0.695). These results are similar to those found in the literature for multiphase CT of 55–94%. Conclusions Our study supports the use of a single arterial phase CT for the detection of hyperfunctioning parathyroid adenomas. Advances in knowledge: a single arterial phase CT has similar sensitivity for localizing parathyroid adenomas as dual phase CT and significantly reduces radiation dose to the patient. PMID:28828238
Mathematical Models for the Apparent Mass of the Seated Human Body Exposed to Vertical Vibration

NASA Astrophysics Data System (ADS)

Wei, L.; Griffin, M. J.

1998-05-01

Alternative mathematical models of the vertical apparent mass of the seated human body are developed. The optimum parameters of four models (two single-degree-of-freedom models and two two-degree-of-freedom models) are derived from the mean measured apparent masses of 60 subjects (24 men, 24 women, 12 children) previously reported. The best fits were obtained by fitting the phase data with single-degree-of-freedom and two-degree-of-freedom models having rigid support structures. For these two models, curve fitting was performed on each of the 60 subjects (so as to obtain optimum model parameters for each subject), for the averages of each of the three groups of subjects, and for the entire group of subjects. The values obtained are tabulated. Use of a two-degree-of-freedom model provided a better fit to the phase of the apparent mass at frequencies greater than about 8 Hz and an improved fit to the modulus of the apparent mass at frequencies around 5 Hz. It is concluded that the two-degree-of-freedom model provides an apparent mass similar to that of the human body, but this does not imply that the body moves in the same manner as the masses in this optimized two-degree-of-freedom model.
Generating a Multiphase Equation of State with Swarm Intelligence

NASA Astrophysics Data System (ADS)

Cox, Geoffrey

2017-06-01

Hydrocode calculations require knowledge of the variation of pressure of a material with density and temperature, which is given by the equation of state. An accurate model needs to account for discontinuities in energy, density and properties of a material across a phase boundary. When generating a multiphase equation of state the modeller attempts to balance the agreement between the available data for compression, expansion and phase boundary location. However, this can prove difficult because minor adjustments in the equation of state for a single phase can have a large impact on the overall phase diagram. Recently, Cox and Christie described a method for combining statistical-mechanics-based condensed matter physics models with a stochastic analysis technique called particle swarm optimisation. The models produced show good agreement with experiment over a wide range of pressure-temperature space. This talk details the general implementation of this technique, shows example results, and describes the types of analysis that can be performed with this method.
Rate-independent dissipation in phase-field modelling of displacive transformations

NASA Astrophysics Data System (ADS)

Tůma, K.; Stupkiewicz, S.; Petryk, H.

2018-05-01

In this paper, rate-independent dissipation is introduced into the phase-field framework for modelling of displacive transformations, such as martensitic phase transformation and twinning. The finite-strain phase-field model developed recently by the present authors is here extended beyond the limitations of purely viscous dissipation. The variational formulation, in which the evolution problem is formulated as a constrained minimization problem for a global rate-potential, is enhanced by including a mixed-type dissipation potential that combines viscous and rate-independent contributions. Effective computational treatment of the resulting incremental problem of non-smooth optimization is developed by employing the augmented Lagrangian method. It is demonstrated that a single Lagrange multiplier field suffices to handle the dissipation potential vertex and simultaneously to enforce physical constraints on the order parameter. In this way, the initially non-smooth problem of evolution is converted into a smooth stationarity problem. The model is implemented in a finite-element code and applied to solve two- and three-dimensional boundary value problems representative for shape memory alloys.
Two-phase choked flow of cryogenic fluids in converging-diverging nozzles

NASA Technical Reports Server (NTRS)

Simoneau, R. J.; Hendricks, R. C.

1979-01-01

Data are presented for the two phase choked flow of three cryogenic fluids - nitrogen, methane, and hydrogen - in four converging-diverging nozzles. The data cover a range of inlet stagnation conditions, all single phase, from well below to well above the thermodynamic critical conditions. In almost all cases the nozzle throat conditions were two phase. The results indicate that the choked flow rates were not very sensitive to nozzle geometry. However, the axial pressure profiles, especially the throat pressure and the point of vaporization, were very sensitive to both nozzle geometry and operating conditions. A modified Henry-Fauske model correlated all the choked flow rate data to within + or - 10 percent. Neither the equilibrium model nor the Henry-Fauske model predicted throat pressures well over the whole range of data. Above the thermodynamic critical temperature the homogeneous equilibrium model was preferred for both flow rate and pressure ratio. The data of the three fluids could be normalized by the principle of corresponding states.
The development and testing of a linear induction motor being fed from the source with limited electric power

NASA Astrophysics Data System (ADS)

Tiunov, V. V.

2018-02-01

The report provides results of the research related to the tubular linear induction motors’ application. The motors’ design features, a calculation model, a description of test specimens for mining and electric power industry are introduced. The most attention is given to the single-phase motors for high voltage switches drives with the usage of inexpensive standard single-phase transformers for motors’ power supply. The method of the motor’s parameters determination, when the motor is being fed from the transformer, working in the overload mode, was described, and the results of it practical usage were good enough for the engineering practice.
Large tensile superelasticity from intermartensitic transformations in Ni49Mn28Ga23 single crystal

NASA Astrophysics Data System (ADS)

Chernenko, V. A.; Villa, E.; Salazar, D.; Barandiaran, J. M.

2016-02-01

A multistep superelastic behavior, with up to a 12% strain, is reported in a <001>P-oriented Ni49Mn28Ga23 single crystal. The observed behavior is produced by intermartensitic transformations during the tensile stress-strain measurements at temperatures between -140 °C and +60 °C. The tensile stress-temperature phase diagram and the stress dependence of the intermartensitic transformation entropies have been obtained. These results provide important input for theoretical modeling of the phase transformations in these alloys and show promising mechanical properties of the classical Ni-Mn-Ga ferromagnetic shape memory alloys.
Grain Size as a Control for Melt Focusing Beneath Mid-Ocean Ridges

NASA Astrophysics Data System (ADS)

Turner, A.; Katz, R. F.; Behn, M. D.

2015-12-01

Grain size is a fundamental control on both the rheology and permeability of the mantle. These properties, in turn, affect the transport of melt beneath mid-ocean ridges. Previous models of grain size beneath ridges have considered only the single-phase problem of dynamic recrystallisation and the resultant pattern of grain-size variation [1,2]. These models have not coupled the spatially variable grain-size field to two-phase (partially molten) mechanics to investigate the implications of spatially variable grain size on melt transport. Here, we present new results from numerical models that investigate the consequences of this coupling. In our two-dimensional, two-phase model the grain-size is coupled to both the permeability and rheology. The rheology is strain-rate and grain-size dependent. For simplicity, however, the grain-size field is not computed dynamically — rather, it is imposed from a single-phase, steady-state model [1] that is based on the "wattmeter" theory [3]. Our calculations predicts that a spatially variable grain size field can promote focusing of melt towards the ridge axis. This focusing is distinct from the commonly discussed, sub-lithospheric decompaction channel [4]. Furthermore, our model predicts that the shape of the partially molten region is sensitive to rheological parameters associated with grain size. The comparison of this shape with observations [5] may help to constrain the rheology of the upper mantle beneath mid-ocean ridges. References: [1] Turner et al., Geochem. Geophys. Geosyst., 16, 925-946, 2015. [2] Behn et al., EPSL, 282, 178-189, 2009. [3] Austin and Evans, Geology, 35:343-346, 2007. [4] Sparks and Parmentier, EPSL, 105, 368-377, 1991. [5] Key et al., Nature, 495, 499-502, 2013.
Single-Phase Single-Stage Grid Tied Solar PV System with Active Power Filtering Using Power Balance Theory

NASA Astrophysics Data System (ADS)

Singh, Yashi; Hussain, Ikhlaq; Singh, Bhim; Mishra, Sukumar

2018-06-01

In this paper, power quality features such as harmonics mitigation, power factor correction with active power filtering are addressed in a single-stage, single-phase solar photovoltaic (PV) grid tied system. The Power Balance Theory (PBT) with perturb and observe based maximum power point tracking algorithm is proposed for the mitigation of power quality problems in a solar PV grid tied system. The solar PV array is interfaced to a single phase AC grid through a Voltage Source Converter (VSC), which provides active power flow from a solar PV array to the grid as well as to the load and it performs harmonics mitigation using PBT based control. The solar PV array power varies with sunlight and due to this, the solar PV grid tied VSC works only 8-10 h per day. At night, when PV power is zero, the VSC works as an active power filter for power quality improvement, and the load active power is delivered by the grid to the load connected at the point of common coupling. This increases the effective utilization of a VSC. The system is modelled and simulated using MATLAB and simulated responses of the system at nonlinear loads and varying environmental conditions are also validated experimentally on a prototype developed in the laboratory.
Single-Phase Single-Stage Grid Tied Solar PV System with Active Power Filtering Using Power Balance Theory

NASA Astrophysics Data System (ADS)

Singh, Yashi; Hussain, Ikhlaq; Singh, Bhim; Mishra, Sukumar

2018-03-01

In this paper, power quality features such as harmonics mitigation, power factor correction with active power filtering are addressed in a single-stage, single-phase solar photovoltaic (PV) grid tied system. The Power Balance Theory (PBT) with perturb and observe based maximum power point tracking algorithm is proposed for the mitigation of power quality problems in a solar PV grid tied system. The solar PV array is interfaced to a single phase AC grid through a Voltage Source Converter (VSC), which provides active power flow from a solar PV array to the grid as well as to the load and it performs harmonics mitigation using PBT based control. The solar PV array power varies with sunlight and due to this, the solar PV grid tied VSC works only 8-10 h per day. At night, when PV power is zero, the VSC works as an active power filter for power quality improvement, and the load active power is delivered by the grid to the load connected at the point of common coupling. This increases the effective utilization of a VSC. The system is modelled and simulated using MATLAB and simulated responses of the system at nonlinear loads and varying environmental conditions are also validated experimentally on a prototype developed in the laboratory.

Non-Gaussianities in multifield DBI inflation with a waterfall phase transition

NASA Astrophysics Data System (ADS)

Kidani, Taichi; Koyama, Kazuya; Mizuno, Shuntaro

2012-10-01

We study multifield Dirac-Born-Infeld (DBI) inflation models with a waterfall phase transition. This transition happens for a D3 brane moving in the warped conifold if there is an instability along angular directions. The transition converts the angular perturbations into the curvature perturbation. Thanks to this conversion, multifield models can evade the stringent constraints that strongly disfavor single field ultraviolet (UV) DBI inflation models in string theory. We explicitly demonstrate that our model satisfies current observational constraints on the spectral index and equilateral non-Gaussianity as well as the bound on the tensor to scalar ratio imposed in string theory models. In addition, we show that large local type non-Gaussianity is generated together with equilateral non-Gaussianity in this model.
Visual performance on detection tasks with double-targets of the same and different difficulty.

PubMed

Chan, Alan H S; Courtney, Alan J; Ma, C W

2002-10-20

This paper reports a study of measurement of horizontal visual sensitivity limits for 16 subjects in single-target and double-targets detection tasks. Two phases of tests were conducted in the double-targets task; targets of the same difficulty were tested in phase one while targets of different difficulty were tested in phase two. The range of sensitivity for the double-targets test was found to be smaller than that for single-target in both the same and different target difficulty cases. The presence of another target was found to affect performance to a marked degree. Interference effect of the difficult target on detection of the easy one was greater than that of the easy one on the detection of the difficult one. Performance decrement was noted when correct percentage detection was plotted against eccentricity of target in both the single-target and double-targets tests. Nevertheless, the non-significant correlation found between the performance for the two tasks demonstrated that it was impossible to predict quantitatively ability for detection of double targets from the data for single targets. This indicated probable problems in generalizing data for single target visual lobes to those for multiple targets. Also lobe area values obtained from measurements using a single-target task cannot be applied in a mathematical model for situations with multiple occurrences of targets.
GRB 120729A: External Shock Origin for Both the Prompt Gamma-Ray Emission and Afterglow

NASA Astrophysics Data System (ADS)

Huang, Li-Ye; Wang, Xiang-Gao; Zheng, WeiKang; Liang, En-Wei; Lin, Da-bin; Zhong, Shu-Qing; Zhang, Hai-Ming; Huang, Xiao-Li; Filippenko, Alexei V.; Zhang, Bing

2018-06-01

Gamma-ray burst (GRB) 120729A was detected by Swift/BAT and Fermi/GBM, and then rapidly observed by Swift/XRT, Swift/UVOT, and ground-based telescopes. It had a single long and smooth γ-ray emission pulse, which extends continuously to the X-rays. We report Lick/KAIT observations of the source, and make temporal and spectral joint fits of the multiwavelength light curves of GRB 120729A. It exhibits achromatic light-curve behavior, consistent with the predictions of the external shock model. The light curves are decomposed into four typical phases: onset bump (Phase I), normal decay (Phase II), shallow decay (Phase III), and post-jet break (Phase IV). The spectral energy distribution (SED) evolves from prompt γ-ray emission to the afterglow with a photon index from Γ γ = 1.36 to Γ ≈ 1.75. There is no obvious evolution of the SED during the afterglow. The multiwavelength light curves from γ-ray to optical can be well modeled with an external shock by considering energy injection, and a time-dependent microphysics model with {ε }B\\propto {t}{α B} for the emission at early times, T< {T}0+157 {{s}}. Therefore, we conclude that both the prompt γ-ray emission and afterglow of GRB 120729A have the same external shock physical origin. Our model indicates that the ɛ B evolution can be described as a broken power-law function with α B,1 = 0.18 ± 0.04 and α B,2 = 0.84 ± 0.04. We also systematically investigate single-pulse GRBs in the Swift era, finding that only a small fraction of GRBs (GRBs 120729A, 051111, and 070318) are likely to originate from an external shock for both the prompt γ-ray emission and afterglow.
Single molecule translocation in smectics illustrates the challenge for time-mapping in simulations on multiple scales

NASA Astrophysics Data System (ADS)

Mukherjee, Biswaroop; Peter, Christine; Kremer, Kurt

2017-09-01

Understanding the connections between the characteristic dynamical time scales associated with a coarse-grained (CG) and a detailed representation is central to the applicability of the coarse-graining methods to understand molecular processes. The process of coarse graining leads to an accelerated dynamics, owing to the smoothening of the underlying free-energy landscapes. Often a single time-mapping factor is used to relate the time scales associated with the two representations. We critically examine this idea using a model system ideally suited for this purpose. Single molecular transport properties are studied via molecular dynamics simulations of the CG and atomistic representations of a liquid crystalline, azobenzene containing mesogen, simulated in the smectic and the isotropic phases. The out-of-plane dynamics in the smectic phase occurs via molecular hops from one smectic layer to the next. Hopping can occur via two mechanisms, with and without significant reorientation. The out-of-plane transport can be understood as a superposition of two (one associated with each mode of transport) independent continuous time random walks for which a single time-mapping factor would be rather inadequate. A comparison of the free-energy surfaces, relevant to the out-of-plane transport, qualitatively supports the above observations. Thus, this work underlines the need for building CG models that exhibit both structural and dynamical consistency to the underlying atomistic model.
Single rotating stars and the formation of bipolar planetary nebula

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

García-Segura, G.; Villaver, E.; Langer, N.

2014-03-10

We have computed new stellar evolution models that include the effects of rotation and magnetic torques under different hypotheses. The goal is to test whether a single star can sustain the rotational velocities needed in the envelope for magnetohydrodynamical(MHD) simulations to shape bipolar planetary nebulae (PNe) when high mass-loss rates take place. Stellar evolution models with main sequence masses of 2.5 and 5 M {sub ☉} and initial rotational velocities of 250 km s{sup –1} have been followed through the PNe formation phase. We find that stellar cores have to be spun down using magnetic torques in order to reproducemore » the rotation rates observed for white dwarfs. During the asymptotic giant branch phase and beyond, the magnetic braking of the core has a practically null effect on increasing the rotational velocity of the envelope since the stellar angular momentum is efficiently removed by the wind. We have also tested the best possible case scenarios in rather non-physical contexts to give enough angular momentum to the envelope. We find that we cannot get the envelope of a single star to rotate at the speeds needed for MHD simulations to form bipolar PNe. We conclude that single stellar rotators are unlikely to be the progenitors of bipolar PNe under the current MHD model paradigm.« less
Numerical Simulations of Two-Phase Reacting Flow in a Single-Element Lean Direct Injection (LDI) Combustor Using NCC

NASA Technical Reports Server (NTRS)

Liu, Nan-Suey; Shih, Tsan-Hsing; Wey, C. Thomas

2011-01-01

A series of numerical simulations of Jet-A spray reacting flow in a single-element lean direct injection (LDI) combustor have been conducted by using the National Combustion Code (NCC). The simulations have been carried out using the time filtered Navier-Stokes (TFNS) approach ranging from the steady Reynolds-averaged Navier-Stokes (RANS), unsteady RANS (URANS), to the dynamic flow structure simulation (DFS). The sub-grid model employed for turbulent mixing and combustion includes the well-mixed model, the linear eddy mixing (LEM) model, and the filtered mass density function (FDF/PDF) model. The starting condition of the injected liquid spray is specified via empirical droplet size correlation, and a five-species single-step global reduced mechanism is employed for fuel chemistry. All the calculations use the same grid whose resolution is of the RANS type. Comparisons of results from various models are presented.
Single Channel Quantum Color Image Encryption Algorithm Based on HSI Model and Quantum Fourier Transform

NASA Astrophysics Data System (ADS)

Gong, Li-Hua; He, Xiang-Tao; Tan, Ru-Chao; Zhou, Zhi-Hong

2018-01-01

In order to obtain high-quality color images, it is important to keep the hue component unchanged while emphasize the intensity or saturation component. As a public color model, Hue-Saturation Intensity (HSI) model is commonly used in image processing. A new single channel quantum color image encryption algorithm based on HSI model and quantum Fourier transform (QFT) is investigated, where the color components of the original color image are converted to HSI and the logistic map is employed to diffuse the relationship of pixels in color components. Subsequently, quantum Fourier transform is exploited to fulfill the encryption. The cipher-text is a combination of a gray image and a phase matrix. Simulations and theoretical analyses demonstrate that the proposed single channel quantum color image encryption scheme based on the HSI model and quantum Fourier transform is secure and effective.
Cold and warm swelling of hydrophobic polymers

NASA Astrophysics Data System (ADS)

de Los Rios, Paolo; Caldarelli, Guido

2001-03-01

We introduce a polymer model where the transition from swollen to compact configurations is due to interactions between the monomers and the solvent. These interactions are the origin of the effective attractive interactions between hydrophobic amino acids in proteins. We find that in the low and high temperature phases polymers are swollen, and there is an intermediate phase where the most favorable configurations are compact. We argue that such a model captures in a single framework both the cold and the warm denaturation experimentally detected for thermosensitive polymers and for proteins.
Discrimination of speech stimuli based on neuronal response phase patterns depends on acoustics but not comprehension.

PubMed

Howard, Mary F; Poeppel, David

2010-11-01

Speech stimuli give rise to neural activity in the listener that can be observed as waveforms using magnetoencephalography. Although waveforms vary greatly from trial to trial due to activity unrelated to the stimulus, it has been demonstrated that spoken sentences can be discriminated based on theta-band (3-7 Hz) phase patterns in single-trial response waveforms. Furthermore, manipulations of the speech signal envelope and fine structure that reduced intelligibility were found to produce correlated reductions in discrimination performance, suggesting a relationship between theta-band phase patterns and speech comprehension. This study investigates the nature of this relationship, hypothesizing that theta-band phase patterns primarily reflect cortical processing of low-frequency (<40 Hz) modulations present in the acoustic signal and required for intelligibility, rather than processing exclusively related to comprehension (e.g., lexical, syntactic, semantic). Using stimuli that are quite similar to normal spoken sentences in terms of low-frequency modulation characteristics but are unintelligible (i.e., their time-inverted counterparts), we find that discrimination performance based on theta-band phase patterns is equal for both types of stimuli. Consistent with earlier findings, we also observe that whereas theta-band phase patterns differ across stimuli, power patterns do not. We use a simulation model of the single-trial response to spoken sentence stimuli to demonstrate that phase-locked responses to low-frequency modulations of the acoustic signal can account not only for the phase but also for the power results. The simulation offers insight into the interpretation of the empirical results with respect to phase-resetting and power-enhancement models of the evoked response.
Minimal color-flavor-locked-nuclear interface

NASA Astrophysics Data System (ADS)

Alford, Mark; Rajagopal, Krishna; Reddy, Sanjay; Wilczek, Frank

2001-10-01

At nuclear matter density, electrically neutral strongly interacting matter in weak equilibrium is made of neutrons, protons, and electrons. At sufficiently high density, such matter is made of up, down, and strange quarks in the color-flavor-locked (CFL) phase, with no electrons. As a function of increasing density (or, perhaps, increasing depth in a compact star) other phases may intervene between these two phases, which are guaranteed to be present. The simplest possibility, however, is a single first order phase transition between CFL and nuclear matter. Such a transition, in space, could take place either through a mixed phase region or at a single sharp interface with electron-free CFL and electron-rich nuclear matter in stable contact. Here we construct a model for such an interface. It is characterized by a region of separated charge, similar to an inversion layer at a metal-insulator boundary. On the CFL side, the charged boundary layer is dominated by a condensate of negative kaons. We then consider the energetics of the mixed phase alternative. We find that the mixed phase will occur only if the nuclear-CFL surface tension is significantly smaller than dimensional analysis would indicate.
Identifying Effective Design Approaches to Allocate Genotypes in Two-Phase Designs: A Case Study in Pelargonium zonale.

PubMed

Molenaar, Heike; Boehm, Robert; Piepho, Hans-Peter

2017-01-01

Robust phenotypic data allow adequate statistical analysis and are crucial for any breeding purpose. Such data is obtained from experiments laid out to best control local variation. Additionally, experiments frequently involve two phases, each contributing environmental sources of variation. For example, in a former experiment we conducted to evaluate production related traits in Pelargonium zonale , there were two consecutive phases, each performed in a different greenhouse. Phase one involved the propagation of the breeding strains to obtain the stem cutting count, and phase two involved the assessment of root formation. The evaluation of the former study raised questions regarding options for improving the experimental layout: (i) Is there a disadvantage to using exactly the same design in both phases? (ii) Instead of generating a separate layout for each phase, can the design be optimized across both phases, such that the mean variance of a pair-wise treatment difference (MVD) can be decreased? To answer these questions, alternative approaches were explored to generate two-phase designs either in phase-wise order (Option 1) or across phases (Option 2). In Option 1 we considered the scenarios (i) using in both phases the same experimental design and (ii) randomizing each phase separately. In Option 2, we considered the scenarios (iii) generating a single design with eight replicates and splitting these among the two phases, (iv) separating the block structure across phases by dummy coding, and (v) design generation with optimal alignment of block units in the two phases. In both options, we considered the same or different block structures in each phase. The designs were evaluated by the MVD obtained by the intra-block analysis and the joint inter-block-intra-block analysis. The smallest MVD was most frequently obtained for designs generated across phases rather than for each phase separately, in particular when both phases of the design were separated with a single pseudo-level. The joint optimization ensured that treatment concurrences were equally balanced across pairs, one of the prerequisites for an efficient design. The proposed alternative approaches can be implemented with any model-based design packages with facilities to formulate linear models for treatment and block structures.
Dependence of neoclassical toroidal viscosity on the poloidal spectrum of applied nonaxisymmetric fields

DOE PAGES

Logan, Nikolas C.; Park, Jong -Kyu; Paz-Soldan, Carloa; ...

2016-02-05

This paper presents a single mode model that accurately predicts the coupling of applied nonaxisymmetric fields to the plasma response that induces neoclassical toroidal viscosity (NTV) torque in DIII-D H-mode plasmas. The torque is measured and modeled to have a sinusoidal dependence on the relative phase of multiple nonaxisymmetric field sources, including a minimum in which large amounts of nonaxisymmetric drive is decoupled from the NTV torque. This corresponds to the coupling and decoupling of the applied field to a NTV-driving mode spectrum. Modeling using the perturbed equilibrium nonambipolar transport (PENT) code confirms an effective single mode coupling between themore » applied field and the resultant torque, despite its inherent nonlinearity. Lastly, the coupling to the NTV mode is shown to have a similar dependence on the relative phasing as that of the IPEC dominant mode, providing a physical basis for the efficacy of this linear metric in predicting error field correction optima in NTV dominated regimes.« less
Dependence of neoclassical toroidal viscosity on the poloidal spectrum of applied nonaxisymmetric fields

NASA Astrophysics Data System (ADS)

Logan, N. C.; Park, J.-K.; Paz-Soldan, C.; Lanctot, M. J.; Smith, S. P.; Burrell, K. H.

2016-03-01

This paper presents a single mode model that accurately predicts the coupling of applied nonaxisymmetric fields to the plasma response that induces neoclassical toroidal viscosity (NTV) torque in DIII-D H-mode plasmas. The torque is measured and modeled to have a sinusoidal dependence on the relative phase of multiple nonaxisymmetric field sources, including a minimum in which large amounts of nonaxisymmetric drive is decoupled from the NTV torque. This corresponds to the coupling and decoupling of the applied field to a NTV-driving mode spectrum. Modeling using the perturbed equilibrium nonambipolar transport (PENT) code confirms an effective single mode coupling between the applied field and the resultant torque, despite its inherent nonlinearity. The coupling to the NTV mode is shown to have a similar dependence on the relative phasing as that of the IPEC dominant mode, providing a physical basis for the efficacy of this linear metric in predicting error field correction optima in NTV dominated regimes.
Characterization of Oxygen Storage and Structural Properties of Oxygen-Loaded Hexagonal R MnO 3+δ ( R = Ho, Er, and Y)

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

Abughayada, C.; Dabrowski, B.; Kolesnik, S.

2015-09-22

Single-phase polycrystalline samples of stoichiometric RMnO3+delta (R = Er, Y, and Ho) were achieved in the hexagonal P6(3)cm structure through solid state reaction at, similar to 1300 degrees C. Thermogravimetric measurements in oxygen atmospheres demonstrated that samples with the larger Ho and Y show rapid and reversible incorporation of large amounts of excess oxygen (0.3 > delta> 0) at an unusually low temperature range of similar to 190-325 degrees C, indicating the industrial usefulness of RMnO3+delta materials for lower cost thermal swing adsorption processes for oxygen separation from air. Further increase of the excess oxygen intake to delta similar tomore » 0.38 was achieved for all the investigated materials when annealed under high pressures of oxygen. The formation of three oxygen stable phases with 6 = 0, 0.28, and 0.38 was confirmed by thermogravimetric measurements, synchrotron X-rays, and neutron diffraction. In situ synchrotron diffraction proved the thermal stability of these single phases and the regions of their creation and coexistence, and demonstrated that the stability of the delta = 0.28 phase increases with the ionic size of the R ion. Structural modeling using neutron powder diffraction for oxygen excess phases describes the formation and details of a large R3c superstructure observed for HoMnO3.28 by tripling the c-axis of the original parent unit cell. Modeling of the RMnO3.38 (R = Y and Er) oxygen-loaded phase converged on a structural model consistent with the symmetry of Pca2(1).« less
MULTIGRAIN: a smoothed particle hydrodynamic algorithm for multiple small dust grains and gas

NASA Astrophysics Data System (ADS)

Hutchison, Mark; Price, Daniel J.; Laibe, Guillaume

2018-05-01

We present a new algorithm, MULTIGRAIN, for modelling the dynamics of an entire population of small dust grains immersed in gas, typical of conditions that are found in molecular clouds and protoplanetary discs. The MULTIGRAIN method is more accurate than single-phase simulations because the gas experiences a backreaction from each dust phase and communicates this change to the other phases, thereby indirectly coupling the dust phases together. The MULTIGRAIN method is fast, explicit and low storage, requiring only an array of dust fractions and their derivatives defined for each resolution element.
Model-free simulations of turbulent reactive flows

NASA Technical Reports Server (NTRS)

Givi, Peyman

1989-01-01

The current computational methods for solving transport equations of turbulent reacting single-phase flows are critically reviewed, with primary attention given to those methods that lead to model-free simulations. In particular, consideration is given to direct numerical simulations using spectral (Galerkin) and pseudospectral (collocation) methods, spectral element methods, and Lagrangian methods. The discussion also covers large eddy simulations and turbulence modeling.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Pudasaini, Shiva P.; Miller, Stephen A.

The general two-phase debris flow model proposed by Pudasaini is employed to study subaerial and submarine debris flows, and the tsunami generated by the debris impact at lakes and oceans. The model, which includes three fundamentally new and dominant physical aspects such as enhanced viscous stress, virtual mass, and generalized drag (in addition to buoyancy), constitutes the most generalized two-phase flow model to date. The advantage of this two-phase debris flow model over classical single-phase, or quasi-two-phase models, is that the initial mass can be divided into several parts by appropriately considering the solid volume fraction. These parts include amore » dry (landslide or rock slide), a fluid (water or muddy water; e.g., dams, rivers), and a general debris mixture material as needed in real flow simulations. This innovative formulation provides an opportunity, within a single framework, to simultaneously simulate the sliding debris (or landslide), the water lake or ocean, the debris impact at the lake or ocean, the tsunami generation and propagation, the mixing and separation between the solid and fluid phases, and the sediment transport and deposition process in the bathymetric surface. Applications of this model include (a) sediment transport on hill slopes, river streams, hydraulic channels (e.g., hydropower dams and plants); lakes, fjords, coastal lines, and aquatic ecology; and (b) submarine debris impact and the rupture of fiber optic, submarine cables and pipelines along the ocean floor, and damage to offshore drilling platforms. Numerical simulations reveal that the dynamics of debris impact induced tsunamis in mountain lakes or oceans are fundamentally different than the tsunami generated by pure rock avalanches and landslides. The analysis includes the generation, amplification and propagation of super tsunami waves and run-ups along coastlines, debris slide and deposition at the bottom floor, and debris shock waves. It is observed that the submarine debris speed can be faster than the tsunami speed. This information can be useful for early warning strategies in the coastal regions. These findings substantially increase our understanding of complex multi-phase systems and multi-physics and flows, and allows for the proper modeling of landslide and debris induced tsunami, the dynamics of turbidity currents and sediment transport, and the associated applications to hazard mitigation, geomorphology and sedimentology.« less
Single phase inverter for a three phase power generation and distribution system

NASA Technical Reports Server (NTRS)

Lindena, S. J.

1976-01-01

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

NASA Technical Reports Server (NTRS)

Hoh, Roger H.; Smith, James C.; Hinton, David A.

1987-01-01

An analytical and experimental research program was conducted to develop criteria for pilot interaction with advanced controls and displays in single pilot instrument flight rules (SPIFR) operations. The analytic phase reviewed fundamental considerations for pilot workload taking into account existing data, and using that data to develop a divided attention SPIFR pilot workload model. The pilot model was utilized to interpret the two experimental phases. The first experimental phase was a flight test program that evaluated pilot workload in the presence of current and near-term displays and autopilot functions. The second experiment was conducted on a King Air simulator, investigating the effects of co-pilot functions in the presence of very high SPIFR workload. The results indicate that the simplest displays tested were marginal for SPIFR operations. A moving map display aided the most in mental orientation, but had inherent deficiencies as a stand alone replacement for an HSI. Autopilot functions were highly effective for reducing pilot workload. The simulator tests showed that extremely high workload situations can be adequately handled when co-pilot functions are provided.
Development of software to improve AC power quality on large spacecraft

NASA Technical Reports Server (NTRS)

Kraft, L. Alan

1991-01-01

To insure the reliability of a 20 kHz, AC power system on spacecraft, it is essential to analyze its behavior under many adverse operating conditions. Some of these conditions include overloads, short circuits, switching surges, and harmonic distortions. Harmonic distortions can cause malfunctions in equipment that the power system is supplying, and during extreme distortions such as voltage resonance, it can cause equipment and insulation failures due to the extreme peak voltages. HARMFLO, a power flow computer program, which was capable of analyzing harmonic conditions on three phase, balanced, 60 Hz, AC power systems, was modified to analyze single phase, 20 kHz, AC power systems. Since almost all of the equipment used on spacecraft power systems is electrically different from equipment used on terrestrial power systems, it was also necessary to develop mathematical models for the equipment to be used on the spacecraft. The results are that (1) the harmonic power now has a model of a single phase, voltage controlled, full wave rectifier; and (2) HARMFLO was ported to the SUN workstation platform.

A scattering model for rain depolarization

NASA Technical Reports Server (NTRS)

Wiley, P. H.; Stutzman, W. L.; Bostian, C. W.

1973-01-01

A method is presented for calculating the amount of depolarization caused by precipitation for a propagation path. In the model the effects of each scatterer and their interactions are accounted for by using a series of simplifying steps. It is necessary only to know the forward scattering properties of a single scatterer. For the case of rain the results of this model for attenuation, differential phase shift, and cross polarization agree very well with the results of the only other model available, that of differential attenuation and differential phase shift. Calculations presented here show that horizontal polarization is more sensitive to depolarization than is vertical polarization for small rain drop canting angle changes. This effect increases with increasing path length.
Numerical and Analytical Model of an Electrodynamic Dust Shield for Solar Panels on Mars

NASA Technical Reports Server (NTRS)

Calle, C. I.; Linell, B.; Chen, A.; Meyer, J.; Clements, S.; Mazumder, M. K.

2006-01-01

Masuda and collaborators at the University of Tokyo developed a method to confine and transport particles called the electric curtain in which a series of parallel electrodes connected to an AC source generates a traveling wave that acts as a contactless conveyor. The curtain electrodes can be excited by a single-phase or a multi-phase AC voltage. A multi-phase curtain produces a non-uniform traveling wave that provides controlled transport of those particles [1-6]. Multi-phase electric curtains from two to six phases have been developed and studied by several research groups [7-9]. We have developed an Electrodynamic Dust Shield prototype using threephase AC voltage electrodes to remove dust from surfaces. The purpose of the modeling work presented here is to research and to better understand the physics governing the electrodynamic shield, as well as to advance and to support the experimental dust shield research.
An extended algebraic variational multiscale-multigrid-multifractal method (XAVM4) for large-eddy simulation of turbulent two-phase flow

NASA Astrophysics Data System (ADS)

Rasthofer, U.; Wall, W. A.; Gravemeier, V.

2018-04-01

A novel and comprehensive computational method, referred to as the eXtended Algebraic Variational Multiscale-Multigrid-Multifractal Method (XAVM4), is proposed for large-eddy simulation of the particularly challenging problem of turbulent two-phase flow. The XAVM4 involves multifractal subgrid-scale modeling as well as a Nitsche-type extended finite element method as an approach for two-phase flow. The application of an advanced structural subgrid-scale modeling approach in conjunction with a sharp representation of the discontinuities at the interface between two bulk fluids promise high-fidelity large-eddy simulation of turbulent two-phase flow. The high potential of the XAVM4 is demonstrated for large-eddy simulation of turbulent two-phase bubbly channel flow, that is, turbulent channel flow carrying a single large bubble of the size of the channel half-width in this particular application.
Modeling of Non-Homogeneous Containment Atmosphere in the ThAI Experimental Facility Using a CFD Code

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

Babic, Miroslav; Kljenak, Ivo; Mavko, Borut

2006-07-01

The CFD code CFX4.4 was used to simulate an experiment in the ThAI facility, which was designed for investigation of thermal-hydraulic processes during a severe accident inside a Light Water Reactor containment. In the considered experiment, air was initially present in the vessel, and helium and steam were injected during different phases of the experiment at various mass flow rates and at different locations. The main purpose of the simulation was to reproduce the non-homogeneous temperature and species concentration distributions in the ThAI experimental facility. A three-dimensional model of the ThAI vessel for the CFX4.4 code was developed. The flowmore » in the simulation domain was modeled as single-phase. Steam condensation on vessel walls was modeled as a sink of mass and energy using a correlation that was originally developed for an integral approach. A simple model of bulk phase change was also introduced. The calculated time-dependent variables together with temperature and concentration distributions at the end of experiment phases are compared to experimental results. (authors)« less
A two-phase Poisson process model and its application to analysis of cancer mortality among A-bomb survivors.

PubMed

Ohtaki, Megu; Tonda, Tetsuji; Aihara, Kazuyuki

2015-10-01

We consider a two-phase Poisson process model where only early successive transitions are assumed to be sensitive to exposure. In the case where intensity transitions are low, we derive analytically an approximate formula for the distribution of time to event for the excess hazard ratio (EHR) due to a single point exposure. The formula for EHR is a polynomial in exposure dose. Since the formula for EHR contains no unknown parameters except for the number of total stages, number of exposure-sensitive stages, and a coefficient of exposure effect, it is applicable easily under a variety of situations where there exists a possible latency time from a single point exposure to occurrence of event. Based on the multistage hypothesis of cancer, we formulate a radiation carcinogenesis model in which only some early consecutive stages of the process are sensitive to exposure, whereas later stages are not affected. An illustrative analysis using the proposed model is given for cancer mortality among A-bomb survivors. Copyright © 2015 Elsevier Inc. All rights reserved.
A model of optimal voluntary muscular control.

PubMed

FitzHugh, R

1977-07-19

In the absence of detailed knowledge of how the CNS controls a muscle through its motor fibers, a reasonable hypothesis is that of optimal control. This hypothesis is studied using a simplified mathematical model of a single muscle, based on A.V. Hill's equations, with series elastic element omitted, and with the motor signal represented by a single input variable. Two cost functions were used. The first was total energy expended by the muscle (work plus heat). If the load is a constant force, with no inertia, Hill's optimal velocity of shortening results. If the load includes a mass, analysis by optimal control theory shows that the motor signal to the muscle consists of three phases: (1) maximal stimulation to accelerate the mass to the optimal velocity as quickly as possible, (2) an intermediate level of stimulation to hold the velocity at its optimal value, once reached, and (3) zero stimulation, to permit the mass to slow down, as quickly as possible, to zero velocity at the specified distance shortened. If the latter distance is too small, or the mass too large, the optimal velocity is not reached, and phase (2) is absent. For lengthening, there is no optimal velocity; there are only two phases, zero stimulation followed by maximal stimulation. The second cost function was total time. The optimal control for shortening consists of only phases (1) and (3) above, and is identical to the minimal energy control whenever phase (2) is absent from the latter. Generalization of this model to include viscous loads and a series elastic element are discussed.
A Classical Phase Space Framework For the Description of Supercooled Liquids and an Apparent Universal Viscosity Collapse

NASA Astrophysics Data System (ADS)

Weingartner, Nicholas; Pueblo, Chris; Nogueira, Flavio; Kelton, Kenneth; Nussinov, Zohar

A fundamental understanding of the phenomenology of the metastable supercooled liquid state remains elusive. Two of the most pressing questions in this field are how to describe the temperature dependence of the viscosity, and determine whether or not the dynamical behaviors are universal. To address these questions, we have devised a simple first-principles classical phase space description of supercooled liquids that (along with a complementary quantum approach) predicts a unique functional form for the viscosity which relies on only a single parameter. We tested this form for 45 liquids of all types and fragilities, and have demonstrated that it provides a statistically significant fit to all liquids. Additionally, by scaling the viscosity of all studied liquids using the single parameter, we have observed a complete collapse of the data of all 45 liquids to a single scaling curve over 16 decades, suggesting an underlying universality in the dynamics of supercooled liquids. In this talk I will outline the basic approach of our model, as well as demonstrate the quality of the model performance and collapse of the data.
Catalytic wet oxidation: mathematical modeling of multicompound destruction.

PubMed

Yang, J; Hand, D W; Hokanson, D R; Crittenden, J C; Oman, E J

2003-01-01

A mathematical model of a three-phase catalytic reactor, CatReac, was developed for analysis and optimization of a catalytic oxidation reactor that is used in the International Space Station potable water processor. The packed-bed catalytic reactor, known as the volatile reactor assembly (VRA), is operated as a three-phase reactor and contains a proprietary catalyst, a pure-oxygen gas phase, and the contaminated water. The contaminated water being fed to the VRA primarily consists of acetic acid, acetone, ethanol, 1-propanol, 2-propanol, and propionic acid ranging in concentration from 1 to 10 mg/L. The Langmuir-Hinshelwood Hougen-Watson (L-H) (Hougen, 1943) expression was used to describe the surface reaction rate for these compounds. Single and multicompound short-column experiments were used to determine the L-H rate parameters and calibrate the model. The model was able to predict steady-state multicomponent effluent profiles for short and full-scale reactor experiments.
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.
Quantifying gait patterns in Parkinson's disease

NASA Astrophysics Data System (ADS)

Romero, Mónica; Atehortúa, Angélica; Romero, Eduardo

2017-11-01

Parkinson's disease (PD) is constituted by a set of motor symptoms, namely tremor, rigidity, and bradykinesia, which are usually described but not quantified. This work proposes an objective characterization of PD gait patterns by approximating the single stance phase a single grounded pendulum. This model estimates the force generated by the gait during the single support from gait data. This force describes the motion pattern for different stages of the disease. The model was validated using recorded videos of 8 young control subjects, 10 old control subjects and 10 subjects with Parkinson's disease in different stages. The estimated force showed differences among stages of Parkinson disease, observing a decrease of the estimated force for the advanced stages of this illness.
Field-induced spin-density-wave phases in (TMTSF)2 Cl O4 at high magnetic field: Effect of anion ordering

NASA Astrophysics Data System (ADS)

Haddad, S.; Charfi-Kaddour, S.; Héritier, M.; Bennaceur, R.

2005-08-01

We study the high magnetic field-induced spin-density-wave (FISDW) phases of the relaxed (TMTSF)2ClO4 salt. Due to an orientational ordering of the ClO4 anions, a gap opens at the Fermi surface leading to a two band energy spectrum. We go through the different experimental and theoretical results related to the high field regime of the (TMTSF)2ClO4 phase diagram. We show that, in spite of intensive studies, this phase diagram is still the subject of controversies. We then tackle the issue of analyzing the exotic features of the high field spin-density-wave (SDW) phases. Based on a mean field theory and a renormalization group method, we study the consequences of anion ordering on the stability of the FISFW phases. We show that the presence of a two pairs of Fermi surface gives rise to two types of competing SDW phases. One is due to a single interband nesting process, as in a one band model, while the second originates from two intraband nesting vectors. The latter, for which we derive a generalized instability criterion, has the highest metal-SDW transition temperature and is described by two coexisting order parameters. As the temperature decreases, this coexistence puts at disadvantage the corresponding phase. Eventually, a first order transition takes place to a second SDW phase characterized by a single nesting vector and which appears inside the first one. Within the proposed model, we are able to label the different SDW phases with definite quantum numbers N related to the quantum Hall effect. We argue that the first SDW phase is nothing but the N=0 state whereas the inner phase is the N=1 state. The obtained results are consistent with recent experiments.
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.
Efficient implicit LES method for the simulation of turbulent cavitating flows

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

Egerer, Christian P., E-mail: christian.egerer@aer.mw.tum.de; Schmidt, Steffen J.; Hickel, Stefan

2016-07-01

We present a numerical method for efficient large-eddy simulation of compressible liquid flows with cavitation based on an implicit subgrid-scale model. Phase change and subgrid-scale interface structures are modeled by a homogeneous mixture model that assumes local thermodynamic equilibrium. Unlike previous approaches, emphasis is placed on operating on a small stencil (at most four cells). The truncation error of the discretization is designed to function as a physically consistent subgrid-scale model for turbulence. We formulate a sensor functional that detects shock waves or pseudo-phase boundaries within the homogeneous mixture model for localizing numerical dissipation. In smooth regions of the flowmore » field, a formally non-dissipative central discretization scheme is used in combination with a regularization term to model the effect of unresolved subgrid scales. The new method is validated by computing standard single- and two-phase test-cases. Comparison of results for a turbulent cavitating mixing layer obtained with the new method demonstrates its suitability for the target applications.« less
Direct phase selection of initial phases from single-wavelength anomalous dispersion (SAD) for the improvement of electron density and ab initio structure determination.

PubMed

Chen, Chung-De; Huang, Yen-Chieh; Chiang, Hsin-Lin; Hsieh, Yin-Cheng; Guan, Hong-Hsiang; Chuankhayan, Phimonphan; Chen, Chun-Jung

2014-09-01

Optimization of the initial phasing has been a decisive factor in the success of the subsequent electron-density modification, model building and structure determination of biological macromolecules using the single-wavelength anomalous dispersion (SAD) method. Two possible phase solutions (φ1 and φ2) generated from two symmetric phase triangles in the Harker construction for the SAD method cause the well known phase ambiguity. A novel direct phase-selection method utilizing the θ(DS) list as a criterion to select optimized phases φ(am) from φ1 or φ2 of a subset of reflections with a high percentage of correct phases to replace the corresponding initial SAD phases φ(SAD) has been developed. Based on this work, reflections with an angle θ(DS) in the range 35-145° are selected for an optimized improvement, where θ(DS) is the angle between the initial phase φ(SAD) and a preliminary density-modification (DM) phase φ(DM)(NHL). The results show that utilizing the additional direct phase-selection step prior to simple solvent flattening without phase combination using existing DM programs, such as RESOLVE or DM from CCP4, significantly improves the final phases in terms of increased correlation coefficients of electron-density maps and diminished mean phase errors. With the improved phases and density maps from the direct phase-selection method, the completeness of residues of protein molecules built with main chains and side chains is enhanced for efficient structure determination.
Two phase modeling of the influence of plastic strain on the magnetic and magnetostrictive behaviors of ferromagnetic materials

NASA Astrophysics Data System (ADS)

Hubert, Olivier; Lazreg, Said

2017-02-01

A growing interest of automotive industry in the use of high performance steels is observed. These materials are obtained thanks to complex manufacturing processes whose parameters fluctuations lead to strong variations of microstructure and mechanical properties. The on-line magnetic non-destructive monitoring is a relevant response to this problem but it requires fast models sensitive to different parameters of the forming process. The plastic deformation is one of these important parameters. Indeed, ferromagnetic materials are known to be sensitive to stress application and especially to plastic strains. In this paper, a macroscopic approach using the kinematic hardening is proposed to model this behavior, considering a plastic strained material as a two phase system. Relationship between kinematic hardening and residual stress is defined in this framework. Since stress fields are multiaxial, an uniaxial equivalent stress is calculated and introduced inside the so-called magneto-mechanical multidomain modeling to represent the effect of plastic strain. The modeling approach is complemented by many experiments involving magnetic and magnetostrictive measurements. They are carried out with or without applied stress, using a dual-phase steel deformed at different levels. The main interest of this material is that the mechanically hard phase, soft phase and the kinematic hardening can be clearly identified thanks to simple experiments. It is shown how this model can be extended to single phase materials.
Freezing Transition Studies Through Constrained Cell Model Simulation

NASA Astrophysics Data System (ADS)

Nayhouse, Michael; Kwon, Joseph Sang-Il; Heng, Vincent R.; Amlani, Ankur M.; Orkoulas, G.

2014-10-01

In the present work, a simulation method based on cell models is used to deduce the fluid-solid transition of a system of particles that interact via a pair potential, , which is of the form with . The simulations are implemented under constant-pressure conditions on a generalized version of the constrained cell model. The constrained cell model is constructed by dividing the volume into Wigner-Seitz cells and confining each particle in a single cell. This model is a special case of a more general cell model which is formed by introducing an additional field variable that controls the number of particles per cell and, thus, the relative stability of the solid against the fluid phase. High field values force configurations with one particle per cell and thus favor the solid phase. Fluid-solid coexistence on the isotherm that corresponds to a reduced temperature of 2 is determined from constant-pressure simulations of the generalized cell model using tempering and histogram reweighting techniques. The entire fluid-solid phase boundary is determined through a thermodynamic integration technique based on histogram reweighting, using the previous coexistence point as a reference point. The vapor-liquid phase diagram is obtained from constant-pressure simulations of the unconstrained system using tempering and histogram reweighting. The phase diagram of the system is found to contain a stable critical point and a triple point. The phase diagram of the corresponding constrained cell model is also found to contain both a stable critical point and a triple point.
The effect of solute additions on the steady-state creep behavior of dispersion-strengthened aluminum.

NASA Technical Reports Server (NTRS)

Reynolds, G. H.; Lenel, F. V.; Ansell, G. S.

1971-01-01

The effect of solute additions on the steady-state creep behavior of coarse-grained dispersion-strengthened aluminum alloys was studied. Recrystallized dispersion-strengthened solid solutions were found to have stress and temperature sensitivities quite unlike those observed in single-phase solid solutions having the same composition and grain size. The addition of magnesium or copper to the matrix of a recrystallized dispersion-strengthened aluminum causes a decrease in the steady-state creep rate which is much smaller than that caused by similar amounts of solute in single-phase solid solutions. All alloys exhibited essentially a 4.0 power stress exponent in agreement with the model of Ansell and Weertman. The activation energy for steady-state creep in dispersion-strengthened Al-Mg alloys, as well as the stress dependence, was in agreement with the physical model of dislocation climb over the dispersed particles.
Benchmarks for single-phase flow in fractured porous media

NASA Astrophysics Data System (ADS)

Flemisch, Bernd; Berre, Inga; Boon, Wietse; Fumagalli, Alessio; Schwenck, Nicolas; Scotti, Anna; Stefansson, Ivar; Tatomir, Alexandru

2018-01-01

This paper presents several test cases intended to be benchmarks for numerical schemes for single-phase fluid flow in fractured porous media. A number of solution strategies are compared, including a vertex and two cell-centred finite volume methods, a non-conforming embedded discrete fracture model, a primal and a dual extended finite element formulation, and a mortar discrete fracture model. The proposed benchmarks test the schemes by increasing the difficulties in terms of network geometry, e.g. intersecting fractures, and physical parameters, e.g. low and high fracture-matrix permeability ratio as well as heterogeneous fracture permeabilities. For each problem, the results presented are the number of unknowns, the approximation errors in the porous matrix and in the fractures with respect to a reference solution, and the sparsity and condition number of the discretized linear system. All data and meshes used in this study are publicly available for further comparisons.
Device for limiting single phase ground fault of mining machines

NASA Astrophysics Data System (ADS)

Fediuk, R. S.; Stoyushko, N. Yu; Yevdokimova, Yu G.; Smoliakov, A. K.; Batarshin, V. O.; Timokhin, R. A.

2017-10-01

The paper shows the reasons and consequences of the single-phase ground fault. With all the variety of devices for limiting the current single-phase ground fault, it was found that the most effective are Peterson coils having different switching circuits. Measuring of the capacity of the network is of great importance in this case, a number of options capacitance measurement are presented. A closer look is taken at the device for limiting the current of single-phase short circuit, developed in the Far Eastern Federal University under the direction of Dr. G.E. Kuvshinov. The calculation of single-phase short-circuit currents in the electrical network, without compensation and with compensation of capacitive current is carried out. Simulation of a single-phase circuit in a network with the proposed device is conducted.
Method for forming single phase, single crystalline 2122 BCSCO superconductor thin films by liquid phase epitaxy

NASA Technical Reports Server (NTRS)

Pandey, Raghvendra K. (Inventor); Raina, Kanwal (Inventor); Solayappan, Narayanan (Inventor)

1994-01-01

A substantially single phase, single crystalline, highly epitaxial film of Bi.sub.2 CaSr.sub.2 Cu.sub.2 O.sub.8 superconductor which has a T.sub.c (zero resistance) of 83 K is provided on a lattice-matched substrate with no intergrowth. This film is produced by a Liquid Phase Epitaxy method which includes the steps of forming a dilute supercooled molten solution of a single phase superconducting mixture of oxides of Bi, Ca, Sr, and Cu having an atomic ratio of about 2:1:2:2 in a nonreactive flux such as KCl, introducing the substrate, e.g., NdGaO.sub.3, into the molten solution at 850.degree. C., cooling the solution from 850.degree. C. to 830.degree. C. to grow the film and rapidly cooling the substrate to room temperature to maintain the desired single phase, single crystalline film structure.

Computation of three-dimensional three-phase flow of carbon dioxide using a high-order WENO scheme

NASA Astrophysics Data System (ADS)

Gjennestad, Magnus Aa.; Gruber, Andrea; Lervåg, Karl Yngve; Johansen, Øyvind; Ervik, Åsmund; Hammer, Morten; Munkejord, Svend Tollak

2017-11-01

We have developed a high-order numerical method for the 3D simulation of viscous and inviscid multiphase flow described by a homogeneous equilibrium model and a general equation of state. Here we focus on single-phase, two-phase (gas-liquid or gas-solid) and three-phase (gas-liquid-solid) flow of CO2 whose thermodynamic properties are calculated using the Span-Wagner reference equation of state. The governing equations are spatially discretized on a uniform Cartesian grid using the finite-volume method with a fifth-order weighted essentially non-oscillatory (WENO) scheme and the robust first-order centered (FORCE) flux. The solution is integrated in time using a third-order strong-stability-preserving Runge-Kutta method. We demonstrate close to fifth-order convergence for advection-diffusion and for smooth single- and two-phase flows. Quantitative agreement with experimental data is obtained for a direct numerical simulation of an air jet flowing from a rectangular nozzle. Quantitative agreement is also obtained for the shape and dimensions of the barrel shock in two highly underexpanded CO2 jets.
Two-dimensional lithium diffusion behavior and probable hybrid phase transformation kinetics in olivine lithium iron phosphate

DOE PAGES

Hong, Liang; Li, Linsen; Chen-Wiegart, Yuchen-Karen; ...

2017-10-30

Olivine lithium iron phosphate is a technologically important electrode material for lithium-ion batteries and a model system for studying electrochemically driven phase transformations. Despite extensive studies, many aspects of the phase transformation and lithium transport in this material are still not well understood. Here we combine operando hard X-ray spectroscopic imaging and phase-field modeling to elucidate the delithiation dynamics of single-crystal lithium iron phosphate microrods with long-axis along the [010] direction. Lithium diffusivity is found to be two-dimensional in microsized particles containing ~3%lithium-iron anti-site defects. Our study provides direct evidence for the previously predicted surface reaction-limited phase-boundary migration mechanism andmore » the potential operation of a hybrid mode of phase growth, in which phase-boundary movement is controlled by surface reaction or lithium diffusion in different crystallographic directions. These findings uncover the rich phase-transformation behaviors in lithium iron phosphate and intercalation com-pounds in general and can help guide the design of better electrodes.« less
Two-dimensional lithium diffusion behavior and probable hybrid phase transformation kinetics in olivine lithium iron phosphate

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

Hong, Liang; Li, Linsen; Chen-Wiegart, Yuchen-Karen

Olivine lithium iron phosphate is a technologically important electrode material for lithium-ion batteries and a model system for studying electrochemically driven phase transformations. Despite extensive studies, many aspects of the phase transformation and lithium transport in this material are still not well understood. Here we combine operando hard X-ray spectroscopic imaging and phase-field modeling to elucidate the delithiation dynamics of single-crystal lithium iron phosphate microrods with long-axis along the [010] direction. Lithium diffusivity is found to be two-dimensional in microsized particles containing ~3%lithium-iron anti-site defects. Our study provides direct evidence for the previously predicted surface reaction-limited phase-boundary migration mechanism andmore » the potential operation of a hybrid mode of phase growth, in which phase-boundary movement is controlled by surface reaction or lithium diffusion in different crystallographic directions. These findings uncover the rich phase-transformation behaviors in lithium iron phosphate and intercalation com-pounds in general and can help guide the design of better electrodes.« less
Two-dimensional lithium diffusion behavior and probable hybrid phase transformation kinetics in olivine lithium iron phosphate

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

Hong, Liang; Chen-Wiegart, Yu-Chen K.

2017-10-30

Olivine lithium iron phosphate is a technologically important electrode material for lithium-ion batteries and a model system for studying electrochemically driven phase transformations. Despite extensive studies, many aspects of the phase transformation and lithium transport in this material are still not well understood. Here we combine operando hard X-ray spectroscopic imaging and phase-ﬁeld modeling to elucidate the delithiation dynamics of single-crystal lithium iron phosphate microrods with long-axis along the [010] direction. Lithium diffusivity is found to be two-dimensional in microsized particles containing ~3%lithium-iron anti-site defects. Our study provides direct evidence for the previously predicted surface reaction-limited phase-boundary migration mechanism andmore » the potential operation of a hybrid mode of phase growth, in which phase-boundary movement is controlled by surface reaction or lithium diffusion in different crystallographic directions. These ﬁndings uncover the rich phase-transformation behaviors in lithium iron phosphate and intercalation com-pounds in general and can help guide the design of better electrodes.« less
The influence of phase transitions in phosphatidylethanolamine models on the activity of violaxanthin de-epoxidase.

PubMed

Vieler, Astrid; Scheidt, Holger A; Schmidt, Peter; Montag, Cindy; Nowoisky, Janine F; Lohr, Martin; Wilhelm, Christian; Huster, Daniel; Goss, Reimund

2008-04-01

In the present study, the influence of the phospholipid phase state on the activity of the xanthophyll cycle enzyme violaxanthin de-epoxidase (VDE) was analyzed using different phosphatidylethanolamine species as model lipids. By using (31)P NMR spectroscopy, differential scanning calorimetry and temperature dependent enzyme assays, VDE activity could directly be related to the lipid structures the protein is associated with. Our results show that the gel (L beta) to liquid-crystalline (L alpha) phase transition in these single lipid component systems strongly enhances both the solubilization of the xanthophyll cycle pigment violaxanthin in the membrane and the activity of the VDE. This phase transition has a significantly stronger impact on VDE activity than the transition from the L alpha to the inverted hexagonal (HII) phase. Especially at higher temperatures we found increased VDE reaction rates in the presence of the L alpha phase compared to those in the presence of HII phase forming lipids. Our data furthermore imply that the HII phase is better suited to maintain high VDE activities at lower temperatures.
Singlet oxygen generator for a solar powered chemically pumped iodine laser

NASA Technical Reports Server (NTRS)

Busch, G. E.

1984-01-01

The potential of solid phase endoperoxides as a means to produce single-delta oxygen in the gas phase in concentrations useful to chemical oxygen-iodine lasers was investigated. The 1,4 - endoperoxide of ethyl 3- (4-methyl - 1-naphthyl) propanoate was deposited over an indium-oxide layer on a glass plate. Single-delta oxygen was released from the endoperoxide upon heating the organic film by means of an electrical discharge through the conductive indium oxide coating. The evolution of singlet-delta oxygen was determined by measuring the dimol emission signal at 634 nm. Comparison of the measured signal with an analytic model leads to two main conclusions: virtually all the oxygen being evolved is in the singlet-delta state and in the gas phase, and there is no significant quenching other than energy pooling on the time scale of the experiment (approximately 10 msec). The use of solid phase endoperoxide as a singlet-delta oxygen generator for an oxygen-iodine laser appears promising.
Coordinated single-phase control scheme for voltage unbalance reduction in low voltage network.

PubMed

Pullaguram, Deepak; Mishra, Sukumar; Senroy, Nilanjan

2017-08-13

Low voltage (LV) distribution systems are typically unbalanced in nature due to unbalanced loading and unsymmetrical line configuration. This situation is further aggravated by single-phase power injections. A coordinated control scheme is proposed for single-phase sources, to reduce voltage unbalance. A consensus-based coordination is achieved using a multi-agent system, where each agent estimates the averaged global voltage and current magnitudes of individual phases in the LV network. These estimated values are used to modify the reference power of individual single-phase sources, to ensure system-wide balanced voltages and proper power sharing among sources connected to the same phase. Further, the high X / R ratio of the filter, used in the inverter of the single-phase source, enables control of reactive power, to minimize voltage unbalance locally. The proposed scheme is validated by simulating a LV distribution network with multiple single-phase sources subjected to various perturbations.This article is part of the themed issue 'Energy management: flexibility, risk and optimization'. © 2017 The Author(s).
United polarizable multipole water model for molecular mechanics simulation

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

Qi, Rui; Wang, Qiantao; Ren, Pengyu, E-mail: pren@mail.utexas.edu

2015-07-07

We report the development of a united AMOEBA (uAMOEBA) polarizable water model, which is computationally 3–5 times more efficient than the three-site AMOEBA03 model in molecular dynamics simulations while providing comparable accuracy for gas-phase and liquid properties. In this coarse-grained polarizable water model, both electrostatic (permanent and induced) and van der Waals representations have been reduced to a single site located at the oxygen atom. The permanent charge distribution is described via the molecular dipole and quadrupole moments and the many-body polarization via an isotropic molecular polarizability, all located at the oxygen center. Similarly, a single van der Waals interactionmore » site is used for each water molecule. Hydrogen atoms are retained only for the purpose of defining local frames for the molecular multipole moments and intramolecular vibrational modes. The parameters have been derived based on a combination of ab initio quantum mechanical and experimental data set containing gas-phase cluster structures and energies, and liquid thermodynamic properties. For validation, additional properties including dimer interaction energy, liquid structures, self-diffusion coefficient, and shear viscosity have been evaluated. The results demonstrate good transferability from the gas to the liquid phase over a wide range of temperatures, and from nonpolar to polar environments, due to the presence of molecular polarizability. The water coordination, hydrogen-bonding structure, and dynamic properties given by uAMOEBA are similar to those derived from the all-atom AMOEBA03 model and experiments. Thus, the current model is an accurate and efficient alternative for modeling water.« less
Weak-field multiphoton femtosecond coherent control in the single-cycle regime.

PubMed

Chuntonov, Lev; Fleischer, Avner; Amitay, Zohar

2011-03-28

Weak-field coherent phase control of atomic non-resonant multiphoton excitation induced by shaped femtosecond pulses is studied theoretically in the single-cycle regime. The carrier-envelope phase (CEP) of the pulse, which in the multi-cycle regime does not play any control role, is shown here to be a new effective control parameter that its effect is highly sensitive to the spectral position of the ultrabroad spectrum. Rationally chosen position of the ultrabroadband spectrum coherently induces several groups of multiphoton transitions from the ground state to the excited state of the system: transitions involving only absorbed photons as well as Raman transitions involving both absorbed and emitted photons. The intra-group interference is controlled by the relative spectral phase of the different frequency components of the pulse, while the inter-group interference is controlled jointly by the CEP and the relative spectral phase. Specifically, non-resonant two- and three-photon excitation is studied in a simple model system within the perturbative frequency-domain framework. The developed intuition is then applied to weak-field multiphoton excitation of atomic cesium (Cs), where the simplified model is verified by non-perturbative numerical solution of the time-dependent Schrödinger equation. We expect this work to serve as a basis for a new line of femtosecond coherent control experiments.
The anamorphic universe

NASA Astrophysics Data System (ADS)

Ijjas, Anna; Steinhardt, Paul J.

2015-10-01

We introduce ``anamorphic'' cosmology, an approach for explaining the smoothness and flatness of the universe on large scales and the generation of a nearly scale-invariant spectrum of adiabatic density perturbations. The defining feature is a smoothing phase that acts like a contracting universe based on some Weyl frame-invariant criteria and an expanding universe based on other frame-invariant criteria. An advantage of the contracting aspects is that it is possible to avoid the multiverse and measure problems that arise in inflationary models. Unlike ekpyrotic models, anamorphic models can be constructed using only a single field and can generate a nearly scale-invariant spectrum of tensor perturbations. Anamorphic models also differ from pre-big bang and matter bounce models that do not explain the smoothness. We present some examples of cosmological models that incorporate an anamorphic smoothing phase.
A new approach to correct yaw misalignment in the spinning ultrasonic anemometer

NASA Astrophysics Data System (ADS)

Ghaemi-Nasab, M.; Davari, Ali R.; Franchini, S.

2018-01-01

Single-axis ultrasonic anemometers are the modern instruments for accurate wind speed measurements. Despite their widespread and ever increasing applications, little attention has been paid up to now to spinning ultrasonic anemometers that can accurately measure both the wind speed and its direction in a single and robust apparatus. In this study, intensive wind-tunnel tests were conducted on a spinning single-axis ultrasonic anemometer to investigate the yaw misalignment in ultrasonic wind speed measurements during the yaw rotation. The anemometer was rotating inside the test section with various angular velocities, and the experiments were performed at several combinations of wind speed and anemometer angular velocity. The instantaneous angular position of the ultrasonic signal path with wind direction was measured using an angular position sensor. For a spinning anemometer, the circulatory wake and the associated flow distortion, along with the Doppler effect, impart a phase shift in the signals measured by the anemometer, which should be added to the position data for correcting the yaw misalignment. In this paper, the experimental data are used to construct a theoretical model, based on a response surface method, to correct the phase shift for various wind speeds and anemometer rotational velocities. This model is shown to successfully correct the velocity indicated by the spinning anemometer for the phase shift due to the rotation, and can easily be used in the calibration process for such anemometers.
The role of attention in the tinnitus decompensation: reinforcement of a large-scale neural decompensation measure.

PubMed

Low, Yin Fen; Trenado, Carlos; Delb, Wolfgang; Corona-Strauss, Farah I; Strauss, Daniel J

2007-01-01

Large-scale neural correlates of the tinnitus decompensation have been identified by using wavelet phase stability criteria of single sweep sequences of auditory late responses (ALRs). The suggested measure provided an objective quantification of the tinnitus decompensation and allowed for a reliable discrimination between a group of compensated and decompensated tinnitus patients. By interpreting our results with an oscillatory tinnitus model, our synchronization stability measure of ALRs can be linked to the focus of attention on the tinnitus signal. In the following study, we examined in detail the correlates of this attentional mechanism in healthy subjects. The results support our previous findings of the phase synchronization stability measure that reflected neural correlates of the fixation of attention to the tinnitus signal. In this case, enabling the differentiation between the attended and unattended conditions. It is concluded that the wavelet phase synchronization stability of ALRs single sweeps can be used as objective tinnitus decompensation measure and can be interpreted in the framework of the Jastreboff tinnitus model and adaptive resonance theory. Our studies confirm that the synchronization stability in ALR sequences is linked to attention. This measure is not only able to serve as objective quantification of the tinnitus decompensation, but also can be applied in all online and real time neurofeedback therapeutic approach where a direct stimulus locked attention monitoring is compulsory as if it based on a single sweeps processing.
Single Droplet Combustion of Decane in Microgravity: Experiments and Numerical Modeling

NASA Technical Reports Server (NTRS)

Dietrich, D. L.; Struk, P. M.; Ikegam, M.; Xu, G.

2004-01-01

This paper presents experimental data on single droplet combustion of decane in microgravity and compares the results to a numerical model. The primary independent experiment variables are the ambient pressure and oxygen mole fraction, pressure, droplet size (over a relatively small range) and ignition energy. The droplet history (D(sup 2) history) is non-linear with the burning rate constant increasing throughout the test. The average burning rate constant, consistent with classical theory, increased with increasing ambient oxygen mole fraction and was nearly independent of pressure, initial droplet size and ignition energy. The flame typically increased in size initially, and then decreased in size, in response to the shrinking droplet. The flame standoff increased linearly for the majority of the droplet lifetime. The flame surrounding the droplet extinguished at a finite droplet size at lower ambient pressures and an oxygen mole fraction of 0.15. The extinction droplet size increased with decreasing pressure. The model is transient and assumes spherical symmetry, constant thermo-physical properties (specific heat, thermal conductivity and species Lewis number) and single step chemistry. The model includes gas-phase radiative loss and a spherically symmetric, transient liquid phase. The model accurately predicts the droplet and flame histories of the experiments. Good agreement requires that the ignition in the experiment be reasonably approximated in the model and that the model accurately predict the pre-ignition vaporization of the droplet. The model does not accurately predict the dependence of extinction droplet diameter on pressure, a result of the simplified chemistry in the model. The transient flame behavior suggests the potential importance of fuel vapor accumulation. The model results, however, show that the fractional mass consumption rate of fuel in the flame relative to fuel vaporized is close to 1.0 for all but the lowest ambient oxygen mole fractions.
Multiorbital kinetic effects on charge ordering of frustrated electrons on the triangular lattice

NASA Astrophysics Data System (ADS)

Février, C.; Fratini, S.; Ralko, A.

2015-06-01

The role of the multiorbital effects on the emergence of frustrated electronic orders on the triangular lattice at half filling is investigated through an extended spinless fermion Hubbard model. By using two complementary approaches, unrestricted Hartree-Fock and exact diagonalizations, we unravel a very rich phase diagram controlled by the strength of both local and off-site Coulomb interactions and by the interorbital hopping anisotropy ratio t'/t . Three robust unconventional electronic phases, a pinball liquid, an inverse pinball liquid, and a large-unit-cell √{12 }×√{12 } droplet phase, are found to be generic in the triangular geometry, being controlled by the band structure parameters. The latter are also stabilized in the isotropic limit of our microscopic model, which recovers the standard SU(2) spinful extended single-band Hubbard model.
Boltzmann sampling for an XY model using a non-degenerate optical parametric oscillator network

NASA Astrophysics Data System (ADS)

Takeda, Y.; Tamate, S.; Yamamoto, Y.; Takesue, H.; Inagaki, T.; Utsunomiya, S.

2018-01-01

We present an experimental scheme of implementing multiple spins in a classical XY model using a non-degenerate optical parametric oscillator (NOPO) network. We built an NOPO network to simulate a one-dimensional XY Hamiltonian with 5000 spins and externally controllable effective temperatures. The XY spin variables in our scheme are mapped onto the phases of multiple NOPO pulses in a single ring cavity and interactions between XY spins are implemented by mutual injections between NOPOs. We show the steady-state distribution of optical phases of such NOPO pulses is equivalent to the Boltzmann distribution of the corresponding XY model. Estimated effective temperatures converged to the setting values, and the estimated temperatures and the mean energy exhibited good agreement with the numerical simulations of the Langevin dynamics of NOPO phases.
The epidemiology of pelvic floor disorders and childbirth: an update

PubMed Central

Hallock, Jennifer L.; Handa, Victoria L.

2015-01-01

SYNOPSIS Using a life span model, this article presents new scientific findings regarding risk factors for pelvic floor disorders (PFDs), with a focus on the role of childbirth in the development of single or multiple co-existing PFDs. Phase I of the life span model includes predisposing factors such as genetic predisposition and race. Phase II of the model includes inciting factors such as obstetric events. Prolapse, urinary incontinence (UI) and fecal incontinence (FI) are more common among vaginally parous women, although the impact of vaginal delivery on risk of FI is less dramatic than for prolapse and UI. Finally, Phase III includes intervening factors such as age and obesity. Both age and obesity are associated with prevalence of PFDs. The prevention and treatment of obesity is an important component to PFD prevention. PMID:26880504
Effects of complex life cycles on genetic diversity: cyclical parthenogenesis

PubMed Central

Rouger, R; Reichel, K; Malrieu, F; Masson, J P; Stoeckel, S

2016-01-01

Neutral patterns of population genetic diversity in species with complex life cycles are difficult to anticipate. Cyclical parthenogenesis (CP), in which organisms undergo several rounds of clonal reproduction followed by a sexual event, is one such life cycle. Many species, including crop pests (aphids), human parasites (trematodes) or models used in evolutionary science (Daphnia), are cyclical parthenogens. It is therefore crucial to understand the impact of such a life cycle on neutral genetic diversity. In this paper, we describe distributions of genetic diversity under conditions of CP with various clonal phase lengths. Using a Markov chain model of CP for a single locus and individual-based simulations for two loci, our analysis first demonstrates that strong departures from full sexuality are observed after only a few generations of clonality. The convergence towards predictions made under conditions of full clonality during the clonal phase depends on the balance between mutations and genetic drift. Second, the sexual event of CP usually resets the genetic diversity at a single locus towards predictions made under full sexuality. However, this single recombination event is insufficient to reshuffle gametic phases towards full-sexuality predictions. Finally, for similar levels of clonality, CP and acyclic partial clonality (wherein a fixed proportion of individuals are clonally produced within each generation) differentially affect the distribution of genetic diversity. Overall, this work provides solid predictions of neutral genetic diversity that may serve as a null model in detecting the action of common evolutionary or demographic processes in cyclical parthenogens (for example, selection or bottlenecks). PMID:27436524
Analytical Characterization of SPM Impact on XPM-Induced Degradation in Dispersion-Compensated WDM Systems

NASA Astrophysics Data System (ADS)

Luís, Ruben S.; Cartaxo, Adolfo V. T.

2005-03-01

This paper proposes the definition of a cross-phase modulation (XPM)-induced power penalty for intensity modulation/direct detection (IM-DD) systems as a function of the normalized variance of the XPM-induced IM. This allows the definition of 1-dB power penalty reference values. New expressions of the equivalent linear model transfer functions for the XPM-induced IM and phase modulation (PM) that include the influence of self-phase modulation (SPM) as well as group-velocity dispersion are derived. The new expressions allow a significant extension for higher powers and dispersion parameters of expressions derived in previous papers for single-segment and multisegment fiber systems with dispersion compensation. Good agreement between analytical results and numerical simulations is obtained. Consistency with work performed numerically and experimentally by other authors is shown, validating the proposed model. Using the proposed model, the influence of residual dispersion and SPM on the limitations imposed by XPM on the performance of dispersion-compensated systems is assessed. It is shown that inline residual dispersion may lead to performance improvement for a properly tuned total residual dispersion. The influence of SPM is shown to degrade the system performance when nonzero-dispersion-shifted fiber is used. However, systems using standard single-mode fiber may benefit from the presence of SPM.
Magnetic susceptibility in the normal phase of Bi2Sr2CaCu2O8+δ single crystals

NASA Astrophysics Data System (ADS)

Lopes, Lutiene F.; Peña, J. Paola; Schaf, Jacob; Tumelero, Milton A.; Vieira, Valdemar N.; Pureur, Paulo

2018-05-01

We report on measurements of the c-axis component of the magnetic susceptibility in the normal phase of several single crystal samples of the Bi2Sr2CaCu2O8+δ cuprate superconductor. These crystal were submitted to appropriate heat treatments so that the density of hole carriers could be varied in an extended region of the superconducting dome. In general, the measured susceptibility shows significant temperature dependence, which was attributed to the pseudogap phenomenon. The results were interpreted with basis on a phenomenological model that allows the determination of the pseudogap characteristic temperature T* as a function of the carrier density.
Single-bubble sonoluminescence as Dicke superradiance at finite temperature

NASA Astrophysics Data System (ADS)

Aparicio Alcalde, M.; Quevedo, H.; Svaiter, N. F.

2014-12-01

Sonoluminescence is a process in which a strong sound field is used to produce light in liquids. We explain sonoluminescence as a phase transition from ordinary fluorescence to a superradiant phase. We consider a spin-boson model composed of a single bosonic mode and an ensemble of N identical two-level atoms. We assume that the whole system is in thermal equilibrium with a reservoir at temperature β-1. We show that, in a ultrastrong-coupling regime, between the two-level atoms and the electromagnetic field it is possible to have a cooperative interaction of the molecules of the gas in the interior of the bubble with the field, generating sonoluminescence.

Entropy-stabilized oxides

PubMed Central

Rost, Christina M.; Sachet, Edward; Borman, Trent; Moballegh, Ali; Dickey, Elizabeth C.; Hou, Dong; Jones, Jacob L.; Curtarolo, Stefano; Maria, Jon-Paul

2015-01-01

Configurational disorder can be compositionally engineered into mixed oxide by populating a single sublattice with many distinct cations. The formulations promote novel and entropy-stabilized forms of crystalline matter where metal cations are incorporated in new ways. Here, through rigorous experiments, a simple thermodynamic model, and a five-component oxide formulation, we demonstrate beyond reasonable doubt that entropy predominates the thermodynamic landscape, and drives a reversible solid-state transformation between a multiphase and single-phase state. In the latter, cation distributions are proven to be random and homogeneous. The findings validate the hypothesis that deliberate configurational disorder provides an orthogonal strategy to imagine and discover new phases of crystalline matter and untapped opportunities for property engineering. PMID:26415623
Dynamic phase coexistence in glass-forming liquids.

PubMed

Pastore, Raffaele; Coniglio, Antonio; Ciamarra, Massimo Pica

2015-07-09

One of the most controversial hypotheses for explaining the heterogeneous dynamics of glasses postulates the temporary coexistence of two phases characterized by a high and by a low diffusivity. In this scenario, two phases with different diffusivities coexist for a time of the order of the relaxation time and mix afterwards. Unfortunately, it is difficult to measure the single-particle diffusivities to test this hypothesis. Indeed, although the non-Gaussian shape of the van-Hove distribution suggests the transient existence of a diffusivity distribution, it is not possible to infer from this quantity whether two or more dynamical phases coexist. Here we provide the first direct observation of the dynamical coexistence of two phases with different diffusivities, by showing that in the deeply supercooled regime the distribution of the single-particle diffusivities acquires a transient bimodal shape. We relate this distribution to the heterogeneity of the dynamics and to the breakdown of the Stokes-Einstein relation, and we show that the coexistence of two dynamical phases occurs up to a timescale growing faster than the relaxation time on cooling, for some of the considered models. Our work offers a basis for rationalizing the dynamics of supercooled liquids and for relating their structural and dynamical properties.
Phase stability, ordering tendencies, and magnetism in single-phase fcc Au-Fe nanoalloys

DOE PAGES

Zhuravlev, I. A.; Barabash, S. V.; An, J. M.; ...

2017-10-01

Bulk Au-Fe alloys separate into Au-based fcc and Fe-based bcc phases, but L1 0 and L1 2 orderings were reported in single-phase Au-Fe nanoparticles. Motivated by these observations, we study the structural and ordering energetics in this alloy by combining density functional theory (DFT) calculations with effective Hamiltonian techniques: a cluster expansion with structural filters, and the configuration-dependent lattice deformation model. The phase separation tendency in Au-Fe persists even if the fcc-bcc decomposition is suppressed. The relative stability of disordered bcc and fcc phases observed in nanoparticles is reproduced, but the fully ordered L1 0 AuFe, L1 2 Au 3Fe,more » and L1 2 AuFe 3 structures are unstable in DFT. But, a tendency to form concentration waves at the corresponding [001] ordering vector is revealed in nearly-random alloys in a certain range of concentrations. Furthermore, this incipient ordering requires enrichment by Fe relative to the equiatomic composition, which may occur in the core of a nanoparticle due to the segregation of Au to the surface. Effects of magnetism on the chemical ordering are also discussed.« less
Phase stability, ordering tendencies, and magnetism in single-phase fcc Au-Fe nanoalloys

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

Zhuravlev, I. A.; Barabash, S. V.; An, J. M.

Bulk Au-Fe alloys separate into Au-based fcc and Fe-based bcc phases, but L1 0 and L1 2 orderings were reported in single-phase Au-Fe nanoparticles. Motivated by these observations, we study the structural and ordering energetics in this alloy by combining density functional theory (DFT) calculations with effective Hamiltonian techniques: a cluster expansion with structural filters, and the configuration-dependent lattice deformation model. The phase separation tendency in Au-Fe persists even if the fcc-bcc decomposition is suppressed. The relative stability of disordered bcc and fcc phases observed in nanoparticles is reproduced, but the fully ordered L1 0 AuFe, L1 2 Au 3Fe,more » and L1 2 AuFe 3 structures are unstable in DFT. But, a tendency to form concentration waves at the corresponding [001] ordering vector is revealed in nearly-random alloys in a certain range of concentrations. Furthermore, this incipient ordering requires enrichment by Fe relative to the equiatomic composition, which may occur in the core of a nanoparticle due to the segregation of Au to the surface. Effects of magnetism on the chemical ordering are also discussed.« less
Watching conformational- and photo-dynamics of single fluorescent proteins in solution.

PubMed

Goldsmith, Randall H; Moerner, W E

2010-03-01

Observing the dynamics of single biomolecules over prolonged time periods is difficult to achieve without significantly altering the molecule through immobilization. It can, however, be accomplished using the Anti-Brownian ELectrokinetic (ABEL) Trap, which allows extended investigation of solution-phase biomolecules - without immobilization -through real-time electrokinetic feedback. Here we apply the ABEL trap to study an important photosynthetic antenna protein, Allophycocyanin (APC). The technique allows the observation of single molecules of solution-phase APC for more than one second. We observe a complex relationship between fluorescence intensity and lifetime that cannot be explained by simple static kinetic models. Light-induced conformational changes are shown to occur and evidence is obtained for fluctuations in the spontaneous emission lifetime, which is typically assumed to be constant. Our methods provide a new window into the dynamics of fluorescent proteins and the observations are relevant for the interpretation of in vivo single-molecule imaging experiments, bacterial photosynthetic regulation, and biomaterials for solar energy harvesting.
The effect of single-horn glaze ice on the vortex structures in the wake of a horizontal axis wind turbine

NASA Astrophysics Data System (ADS)

Jin, Zhe-Yan; Dong, Qiao-Tian; Yang, Zhi-Gang

2015-02-01

The present study experimentally investigated the effect of a simulated single-horn glaze ice accreted on rotor blades on the vortex structures in the wake of a horizontal axis wind turbine by using the stereoscopic particle image velocimetry (Stereo-PIV) technique. During the experiments, four horizontal axis wind turbine models were tested, and both "free-run" and "phase-locked" Stereo-PIV measurements were carried out. Based on the "free-run" measurements, it was found that because of the simulated single-horn glaze ice, the shape, vorticity, and trajectory of tip vortices were changed significantly, and less kinetic energy of the airflow could be harvested by the wind turbine. In addition, the "phase-locked" results indicated that the presence of simulated single-horn glaze ice resulted in a dramatic reduction of the vorticity peak of the tip vortices. Moreover, as the length of the glaze ice increased, both root and tip vortex gaps were found to increase accordingly.
Watching conformational- and photo-dynamics of single fluorescent proteins in solution

PubMed Central

Goldsmith, Randall H.

2010-01-01

Observing the dynamics of single biomolecules over prolonged time periods is difficult to achieve without significantly altering the molecule through immobilization. It can, however, be accomplished using the Anti-Brownian ELectrokinetic (ABEL) Trap, which allows extended investigation of solution-phase biomolecules - without immobilization -through real-time electrokinetic feedback. Here we apply the ABEL trap to study an important photosynthetic antenna protein, Allophycocyanin (APC). The technique allows the observation of single molecules of solution-phase APC for more than one second. We observe a complex relationship between fluorescence intensity and lifetime that cannot be explained by simple static kinetic models. Light-induced conformational changes are shown to occur and evidence is obtained for fluctuations in the spontaneous emission lifetime, which is typically assumed to be constant. Our methods provide a new window into the dynamics of fluorescent proteins and the observations are relevant for the interpretation of in vivo single-molecule imaging experiments, bacterial photosynthetic regulation, and biomaterials for solar energy harvesting. PMID:20625479
Watching conformational- and photodynamics of single fluorescent proteins in solution

NASA Astrophysics Data System (ADS)

Goldsmith, Randall H.; Moerner, W. E.

2010-03-01

Observing the dynamics of single biomolecules over prolonged time periods is difficult to achieve without significantly altering the molecule through immobilization. It can, however, be accomplished using the anti-Brownian electrokinetic trap, which allows extended investigation of solution-phase biomolecules-without immobilization-through real-time electrokinetic feedback. Here we apply the trap to study an important photosynthetic antenna protein, allophycocyanin. The technique allows the observation of single molecules of solution-phase allophycocyanin for more than one second. We observe a complex relationship between fluorescence intensity and lifetime that cannot be explained by simple static kinetic models. Light-induced conformational changes are shown to occur and evidence is obtained for fluctuations in the spontaneous emission lifetime, which is typically assumed to be constant. Our methods provide a new window into the dynamics of fluorescent proteins and the observations are relevant for the interpretation of in vivo single-molecule imaging experiments, bacterial photosynthetic regulation and biomaterials for solar energy harvesting.
Field-induced phase transitions and enhanced double negative electrocaloric effects in (Pb,La)(Zr,Sn,Ti)O3 antiferroelectric single crystal

NASA Astrophysics Data System (ADS)

Zhuo, Fangping; Li, Qiang; Qiao, Huimin; Yan, Qingfeng; Zhang, Yiling; Xi, Xiaoqing; Chu, Xiangcheng; Long, Xifa; Cao, Wenwu

2018-03-01

Field-induced phase transitions and electrocaloric effect have been studied in (Pb,La)(Zr,Sn,Ti)O3 (PLZST) antiferroelectric single crystal. Temperature dependent dielectric, Raman spectra, as well as in situ domain evolution demonstrated that the order of phase transitions during heating is in the sequence of orthorhombic antiferroelectric → tetragonal antiferroelectric → cubic paraelectric. Enhanced negative electrocaloric effect value of -3.6 °C and electrocaloric strength of 0.3 K mm/kV at 125 °C have been achieved. Double negative effects (-0.7 °C at 45 °C and -3.6 °C at 125 °C) and a relatively large positive effect (1 °C) near Curie temperature (190 °C) have been found in the PLZST single crystal. Moreover, microscopic dipoles and a phenomenological Landau-type model were employed to understand these unusual electrocaloric effects. Enhanced negative effect and the coexistence of both negative and positive effects in one material are promising for us to develop practical solid-state cooling devices with high efficiency.
Analysis of phase II studies on targeted agents and subsequent phase III trials: what are the predictors for success?

PubMed

Chan, John K; Ueda, Stefanie M; Sugiyama, Valerie E; Stave, Christopher D; Shin, Jacob Y; Monk, Bradley J; Sikic, Branimir I; Osann, Kathryn; Kapp, Daniel S

2008-03-20

To identify the characteristics of phase II studies that predict for subsequent "positive" phase III trials (those that reached the proposed primary end points of study or those wherein the study drug was superior to the standard regimen investigating targeted agents in advanced tumors. We identified all phase III clinical trials of targeted therapies against advanced cancers published from 1985 to 2005. Characteristics of the preceding phase II studies were reviewed to identify predictive factors for success of the subsequent phase III trial. Data were analyzed using the chi(2) test and logistic regression models. Of 351 phase II studies, 167 (47.6%) subsequent phase III trials were positive and 184 (52.4%) negative. Phase II studies from multiple rather than single institutions were more likely to precede a successful trial (60.4% v 39.4%; P < .001). Positive phase II results were more likely to lead to a successful phase III trial (50.8% v 22.5%; P = .003). The percentage of successful trials from pharmaceutical companies was significantly higher compared with academic, cooperative groups, and research institutes (89.5% v 44.2%, 45.2%, and 46.3%, respectively; P = .002). On multivariate analysis, these factors and shorter time interval between publication of phase II results and III study publication were independent predictive factors for a positive phase III trial. In phase II studies of targeted agents, multiple- versus single-institution participation, positive phase II trial, pharmaceutical company-based trials, and shorter time period between publication of phase II to phase III trial were independent predictive factors of success in a phase III trial. Investigators should be cognizant of these factors in phase II studies before designing phase III trials.
Two-Pole Caustic Model for High-Energy Lightcurves of Pulsars

NASA Technical Reports Server (NTRS)

Dyks, J.; Rudak, B.

2003-01-01

We present a new model of high-energy lightcurves from rotation powered pulsars. The key ingredient of the model is the gap region (i.e. the region where particle acceleration is taking place and high-energy photons originate) which satisfies the following assumptions: i) the gap region extends from each polar cap to the light cylinder; ii) the gap is thin and confined to the surface of last open magnetic-field lines; iii) photon emissivity is uniform within the gap region. The model lightcurves are dominated by strong peaks (either double or single) of caustic origin. Unlike in other pulsar models with caustic effects, the double peaks arise due to crossing two caustics, each of which is associated with a different magnetic pole. The generic features of the lightcurves are consistent with the observed characteristics of pulsar lightcurves: 1) the most natural (in terms of probability) shape consists of two peaks (separated by 0.4 to 0.5 in phase for large viewing angles); 2) the peaks possess well developed wings; 3) there is a bridge (inter-peak) emission component; 4) there is a non-vanishing off-pulse emission level; 5) the radio pulse occurs before the leading high-energy peak. The model is well suited for four gamma-ray pulsars - Crab, Vela, Geminga and B1951+32 - with double-peak lightcurves exhibiting the peak separation of 0.4 to 0.5 in phase. Hereby, we apply the model to the Vela pulsar. Moreover, we indicate the limitation of the model in accurate reproducing of the lightcurves with single pulses and narrowly separated (about 0.2 in phase) pulse peaks. We also discuss the optical polarization properties for the Crab pulsar in the context of the two-pole caustic model.
Thermodynamic model of social influence on two-dimensional square lattice: Case for two features

NASA Astrophysics Data System (ADS)

Genzor, Jozef; Bužek, Vladimír; Gendiar, Andrej

2015-02-01

We propose a thermodynamic multi-state spin model in order to describe equilibrial behavior of a society. Our model is inspired by the Axelrod model used in social network studies. In the framework of the statistical mechanics language, we analyze phase transitions of our model, in which the spin interaction J is interpreted as a mutual communication among individuals forming a society. The thermal fluctuations introduce a noise T into the communication, which suppresses long-range correlations. Below a certain phase transition point Tt, large-scale clusters of the individuals, who share a specific dominant property, are formed. The measure of the cluster sizes is an order parameter after spontaneous symmetry breaking. By means of the Corner transfer matrix renormalization group algorithm, we treat our model in the thermodynamic limit and classify the phase transitions with respect to inherent degrees of freedom. Each individual is chosen to possess two independent features f = 2 and each feature can assume one of q traits (e.g. interests). Hence, each individual is described by q2 degrees of freedom. A single first-order phase transition is detected in our model if q > 2, whereas two distinct continuous phase transitions are found if q = 2 only. Evaluating the free energy, order parameters, specific heat, and the entanglement von Neumann entropy, we classify the phase transitions Tt(q) in detail. The permanent existence of the ordered phase (the large-scale cluster formation with a non-zero order parameter) is conjectured below a non-zero transition point Tt(q) ≈ 0.5 in the asymptotic regime q → ∞.
Hardening Mechanisms of Silicon Nanospheres: A Molecular Dynamics Study

DTIC Science & Technology

2011-05-01

in single oxide system 111 Figure 5.9 Dislocation motion in double oxide systems 112 x Figure 5.10 Dislocation response to incremental...addressed as no single dislocation loops were ever separated and no diffraction peaks indicative of the -Sn phase were observed. The load vs. displacement...as the diamond cubic structure has angle dependent covalent bonds. Therefore, other potentials have been 20 developed that model the
The decoupling of the glass transitions in the two-component p-spin spherical model

NASA Astrophysics Data System (ADS)

Ikeda, Harukuni; Ikeda, Atsushi

2016-07-01

Binary mixtures of large and small particles with a disparate size ratio exhibit a rich phenomenology at their glass transition points. In order to gain insights on such systems, we introduce and study a two-component version of the p-spin spherical spin glass model. We employ the replica method to calculate the free energy and the phase diagram. We show that when the strengths of the interactions of each component are not widely separated, the model has only one glass phase characterized by the conventional one-step replica symmetry breaking. However when the strengths of the interactions are well separated, the model has three glass phases depending on the temperature and component ratio. One is the ‘single’ glass phase in which only the spins of one component are frozen while the spins of the other component remain mobile. This phase is characterized by the one-step replica symmetry breaking. The second is the ‘double’ glass phase obtained by cooling the single glass phase further, in which the spins of the remaining mobile component are also frozen. This phase is characterized by the two-step replica symmetry breaking. The third is also the ‘double’ glass phase, which, however, is formed by the simultaneous freezing of the spins of both components at the same temperatures and is characterized by the one-step replica symmetry breaking. We discuss the implications of these results for the glass transitions of binary mixtures.
Direct-method SAD phasing with partial-structure iteration: towards automation.

PubMed

Wang, J W; Chen, J R; Gu, Y X; Zheng, C D; Fan, H F

2004-11-01

The probability formula of direct-method SAD (single-wavelength anomalous diffraction) phasing proposed by Fan & Gu (1985, Acta Cryst. A41, 280-284) contains partial-structure information in the form of a Sim-weighting term. Previously, only the substructure of anomalous scatterers has been included in this term. In the case that the subsequent density modification and model building yields only structure fragments, which do not straightforwardly lead to the complete solution, the partial structure can be fed back into the Sim-weighting term of the probability formula in order to strengthen its phasing power and to benefit the subsequent automatic model building. The procedure has been tested with experimental SAD data from two known proteins with copper and sulfur as the anomalous scatterers.
Modelling the average velocity of propagation of the flame front in a gasoline engine with hydrogen additives

NASA Astrophysics Data System (ADS)

Smolenskaya, N. M.; Smolenskii, V. V.

2018-01-01

The paper presents models for calculating the average velocity of propagation of the flame front, obtained from the results of experimental studies. Experimental studies were carried out on a single-cylinder gasoline engine UIT-85 with hydrogen additives up to 6% of the mass of fuel. The article shows the influence of hydrogen addition on the average velocity propagation of the flame front in the main combustion phase. The dependences of the turbulent propagation velocity of the flame front in the second combustion phase on the composition of the mixture and operating modes. The article shows the influence of the normal combustion rate on the average flame propagation velocity in the third combustion phase.
Phase constitution and interface structure of nano-sized Ag-Cu/AlN multilayers: Experiment and ab initio modeling

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

Pigozzi, Giancarlo; Janczak-Rusch, Jolanta; Passerone, Daniele

2012-10-29

Nano-sized Ag-Cu{sub 8nm}/AlN{sub 10nm} multilayers were deposited by reactive DC sputtering on {alpha}-Al{sub 2}O{sub 3}(0001) substrates. Investigation of the phase constitution and interface structure of the multilayers evidences a phase separation of the alloy sublayers into nanosized grains of Ag and Cu. The interfaces between the Ag grains and the quasi-single-crystalline AlN sublayers are semi-coherent, whereas the corresponding Cu/AlN interfaces are incoherent. The orientation relationship between Ag and AlN is constant throughout the entire multilayer stack. These observations are consistent with atomistic models of the interfaces as obtained by ab initio calculations.
Photometric properties of Ceres from telescopic observations using Dawn Framing Camera color filters

NASA Astrophysics Data System (ADS)

Reddy, Vishnu; Li, Jian-Yang; Gary, Bruce L.; Sanchez, Juan A.; Stephens, Robert D.; Megna, Ralph; Coley, Daniel; Nathues, Andreas; Le Corre, Lucille; Hoffmann, Martin

2015-11-01

The dwarf planet Ceres is likely differentiated similar to the terrestrial planets but with a water/ice dominated mantle and an aqueously altered crust. Detailed modeling of Ceres' phase function has never been performed to understand its surface properties. The Dawn spacecraft began orbital science operations at the dwarf planet in April 2015. We observed Ceres with flight spares of the seven Dawn Framing Camera color filters mounted on ground-based telescopes over the course of three years to model its phase function versus wavelength. Our analysis shows that the modeled geometric albedos derived from both the IAU HG model and the Hapke model are consistent with a flat and featureless spectrum of Ceres, although the values are ∼10% higher than previous measurements. Our models also suggest a wavelength dependence of Ceres' phase function. The IAU G-parameter and the Hapke single-particle phase function parameter, g, are both consistent with decreasing (shallower) phase slope with increasing wavelength. Such a wavelength dependence of phase function is consistent with reddening of spectral slope with increasing phase angle, or phase-reddening. This phase reddening is consistent with previous spectra of Ceres obtained at various phase angles archived in the literature, and consistent with the fact that the modeled geometric albedo spectrum of Ceres is the bluest of all spectra because it represents the spectrum at 0° phase angle. Ground-based FC color filter lightcurve data are consistent with HST albedo maps confirming that Ceres' lightcurve is dominated by albedo and not shape. We detected a positive correlation between 1.1-μm absorption band depth and geometric albedo suggesting brighter areas on Ceres have absorption bands that are deeper. We did not see the "extreme" slope values measured by Perna et al. (Perna, D., et al. [2015]. Astron. Astrophys. 575 (L1-6)), which they have attributed to "resurfacing episodes" on Ceres.
Amine-Amine Exchange in Aminium-Methanesulfonate Aerosols

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

Dawson, Matthew L.; Varner, Mychel E.; Perraud, Veronique M.

2014-12-18

Aerosol particles are ubiquitous in the atmosphere and have been shown to impact the Earth’s climate, reduce visibility, and adversely affect human health. Modeling the evolution of aerosol systems requires an understanding of the species and mechanisms involved in particle growth, including the complex interactions between particle- and gas-phase species. Here we report studies of displacement of amines (methylamine, dimethylamine or trimethylamine) in methanesulfonate salt particles by exposure to a different gas-phase amine, using a single particle mass spectrometer, SPLAT II. The variation of the displacement with the nature of the amine suggests that behavior is dependent on water inmore » or on the particles. Small clusters of methanesulfonic acid with amines are used as a model in quantum chemical calculations to identify key structural elements that are expected to influence water uptake, and hence the efficiency of displacement by gas-phase molecules in the aminium salts. Such molecular-level understanding of the processes affecting the ability of gas-phase amines to displace particle-phase aminium species is important for modeling the growth of particles and their impacts in the atmosphere.« less
Membrane protein structure determination by SAD, SIR, or SIRAS phasing in serial femtosecond crystallography using an iododetergent

PubMed Central

Nakane, Takanori; Hanashima, Shinya; Suzuki, Mamoru; Saiki, Haruka; Hayashi, Taichi; Kakinouchi, Keisuke; Sugiyama, Shigeru; Kawatake, Satoshi; Matsuoka, Shigeru; Matsumori, Nobuaki; Nango, Eriko; Kobayashi, Jun; Shimamura, Tatsuro; Kimura, Kanako; Mori, Chihiro; Kunishima, Naoki; Sugahara, Michihiro; Takakyu, Yoko; Inoue, Shigeyuki; Masuda, Tetsuya; Hosaka, Toshiaki; Tono, Kensuke; Joti, Yasumasa; Kameshima, Takashi; Hatsui, Takaki; Inoue, Tsuyoshi; Nureki, Osamu; Iwata, So; Murata, Michio; Mizohata, Eiichi

2016-01-01

The 3D structure determination of biological macromolecules by X-ray crystallography suffers from a phase problem: to perform Fourier transformation to calculate real space density maps, both intensities and phases of structure factors are necessary; however, measured diffraction patterns give only intensities. Although serial femtosecond crystallography (SFX) using X-ray free electron lasers (XFELs) has been steadily developed since 2009, experimental phasing still remains challenging. Here, using 7.0-keV (1.771 Å) X-ray pulses from the SPring-8 Angstrom Compact Free Electron Laser (SACLA), iodine single-wavelength anomalous diffraction (SAD), single isomorphous replacement (SIR), and single isomorphous replacement with anomalous scattering (SIRAS) phasing were performed in an SFX regime for a model membrane protein bacteriorhodopsin (bR). The crystals grown in bicelles were derivatized with an iodine-labeled detergent heavy-atom additive 13a (HAD13a), which contains the magic triangle, I3C head group with three iodine atoms. The alkyl tail was essential for binding of the detergent to the surface of bR. Strong anomalous and isomorphous difference signals from HAD13a enabled successful phasing using reflections up to 2.1-Å resolution from only 3,000 and 4,000 indexed images from native and derivative crystals, respectively. When more images were merged, structure solution was possible with data truncated at 3.3-Å resolution, which is the lowest resolution among the reported cases of SFX phasing. Moreover, preliminary SFX experiment showed that HAD13a successfully derivatized the G protein-coupled A2a adenosine receptor crystallized in lipidic cubic phases. These results pave the way for de novo structure determination of membrane proteins, which often diffract poorly, even with the brightest XFEL beams. PMID:27799539

Membrane protein structure determination by SAD, SIR, or SIRAS phasing in serial femtosecond crystallography using an iododetergent.

PubMed

Nakane, Takanori; Hanashima, Shinya; Suzuki, Mamoru; Saiki, Haruka; Hayashi, Taichi; Kakinouchi, Keisuke; Sugiyama, Shigeru; Kawatake, Satoshi; Matsuoka, Shigeru; Matsumori, Nobuaki; Nango, Eriko; Kobayashi, Jun; Shimamura, Tatsuro; Kimura, Kanako; Mori, Chihiro; Kunishima, Naoki; Sugahara, Michihiro; Takakyu, Yoko; Inoue, Shigeyuki; Masuda, Tetsuya; Hosaka, Toshiaki; Tono, Kensuke; Joti, Yasumasa; Kameshima, Takashi; Hatsui, Takaki; Yabashi, Makina; Inoue, Tsuyoshi; Nureki, Osamu; Iwata, So; Murata, Michio; Mizohata, Eiichi

2016-11-15

The 3D structure determination of biological macromolecules by X-ray crystallography suffers from a phase problem: to perform Fourier transformation to calculate real space density maps, both intensities and phases of structure factors are necessary; however, measured diffraction patterns give only intensities. Although serial femtosecond crystallography (SFX) using X-ray free electron lasers (XFELs) has been steadily developed since 2009, experimental phasing still remains challenging. Here, using 7.0-keV (1.771 Å) X-ray pulses from the SPring-8 Angstrom Compact Free Electron Laser (SACLA), iodine single-wavelength anomalous diffraction (SAD), single isomorphous replacement (SIR), and single isomorphous replacement with anomalous scattering (SIRAS) phasing were performed in an SFX regime for a model membrane protein bacteriorhodopsin (bR). The crystals grown in bicelles were derivatized with an iodine-labeled detergent heavy-atom additive 13a (HAD13a), which contains the magic triangle, I3C head group with three iodine atoms. The alkyl tail was essential for binding of the detergent to the surface of bR. Strong anomalous and isomorphous difference signals from HAD13a enabled successful phasing using reflections up to 2.1-Å resolution from only 3,000 and 4,000 indexed images from native and derivative crystals, respectively. When more images were merged, structure solution was possible with data truncated at 3.3-Å resolution, which is the lowest resolution among the reported cases of SFX phasing. Moreover, preliminary SFX experiment showed that HAD13a successfully derivatized the G protein-coupled A2a adenosine receptor crystallized in lipidic cubic phases. These results pave the way for de novo structure determination of membrane proteins, which often diffract poorly, even with the brightest XFEL beams.
A review of solid-fluid selection options for optical-based measurements in single-phase liquid, two-phase liquid-liquid and multiphase solid-liquid flows

NASA Astrophysics Data System (ADS)

Wright, Stuart F.; Zadrazil, Ivan; Markides, Christos N.

2017-09-01

Experimental techniques based on optical measurement principles have experienced significant growth in recent decades. They are able to provide detailed information with high-spatiotemporal resolution on important scalar (e.g., temperature, concentration, and phase) and vector (e.g., velocity) fields in single-phase or multiphase flows, as well as interfacial characteristics in the latter, which has been instrumental to step-changes in our fundamental understanding of these flows, and the development and validation of advanced models with ever-improving predictive accuracy and reliability. Relevant techniques rely upon well-established optical methods such as direct photography, laser-induced fluorescence, laser Doppler velocimetry/phase Doppler anemometry, particle image/tracking velocimetry, and variants thereof. The accuracy of the resulting data depends on numerous factors including, importantly, the refractive indices of the solids and liquids used. The best results are obtained when the observational materials have closely matched refractive indices, including test-section walls, liquid phases, and any suspended particles. This paper reviews solid-liquid and solid-liquid-liquid refractive-index-matched systems employed in different fields, e.g., multiphase flows, turbomachinery, bio-fluid flows, with an emphasis on liquid-liquid systems. The refractive indices of various aqueous and organic phases found in the literature span the range 1.330-1.620 and 1.251-1.637, respectively, allowing the identification of appropriate combinations to match selected transparent or translucent plastics/polymers, glasses, or custom materials in single-phase liquid or multiphase liquid-liquid flow systems. In addition, the refractive indices of fluids can be further tuned with the use of additives, which also allows for the matching of important flow similarity parameters such as density and viscosity.
Mixed-order phase transition in a two-step contagion model with a single infectious seed.

PubMed

Choi, Wonjun; Lee, Deokjae; Kahng, B

2017-02-01

Percolation is known as one of the most robust continuous transitions, because its occupation rule is intrinsically local. As one of the ways to break the robustness, occupation is allowed to more than one species of particles and they occupy cooperatively. This generalized percolation model undergoes a discontinuous transition. Here we investigate an epidemic model with two contagion steps and characterize its phase transition analytically and numerically. We find that even though the order parameter jumps at a transition point r_{c}, then increases continuously, it does not exhibit any critical behavior: the fluctuations of the order parameter do not diverge at r_{c}. However, critical behavior appears in mean outbreak size, which diverges at the transition point in a manner that the ordinary percolation shows. Such a type of phase transition is regarded as a mixed-order phase transition. We also obtain scaling relations of cascade outbreak statistics when the order parameter jumps at r_{c}.
NASA's PEM Fuel Cell Power Plant Development Program for Space Applications

NASA Technical Reports Server (NTRS)

Hoberecht, Mark

2006-01-01

NASA embarked on a PEM fuel cell power plant development program beginning in 2001. This five-year program was conducted by a three-center NASA team of Glenn Research Center (lead), Johnson Space Center, and Kennedy Space Center. The program initially was aimed at developing hardware for a Reusable Launch Vehicle (RLV) application, but more recently had shifted to applications supporting the NASA Exploration Program. The first phase of the development effort, to develop breadboard hardware in the 1-5 kW power range, was conducted by two competing vendors. The second phase of the effort, to develop Engineering Model hardware at the 10 kW power level, was conducted by the winning vendor from the first phase of the effort. Both breadboard units and the single engineering model power plant were delivered to NASA for independent testing. This poster presentation will present a summary of both phases of the development effort, along with a discussion of test results of the PEM fuel cell engineering model under simulated mission conditions.
Single-layer model to predict the source/sink behavior of diffusion-controlled building materials.

PubMed

Kumar, Deept; Little, John C

2003-09-01

Building materials may act as both sources of and sinks forvolatile organic compounds (VOCs) in indoor air. A strategy to characterize the rate of absorption and desorption of VOCs by diffusion-controlled building materials is validated. A previously developed model that predicts mass transfer between a flat slab of material and the well-mixed air within a chamber or room is extended. The generalized model allows a nonuniform initial material-phase concentration and a transient influent gas-phase concentration to be simultaneously considered. An analytical solution to the more general model is developed. Experimental data are obtained by placing samples of vinyl flooring inside a small stainless steel chamber and exposing them to absorption/desorption cycles of n-dodecane and phenol. Measured values for the material-air partition coefficient and the material-phase diffusion coefficient were obtained previously in a series of completely independent experiments. The a priori model predictions are in close agreement with the observed experimental data.
Critical mingling and universal correlations in model binary active liquids

NASA Astrophysics Data System (ADS)

Bain, Nicolas; Bartolo, Denis

2017-06-01

Ensembles of driven or motile bodies moving along opposite directions are generically reported to self-organize into strongly anisotropic lanes. Here, building on a minimal model of self-propelled bodies targeting opposite directions, we first evidence a critical phase transition between a mingled state and a phase-separated lane state specific to active particles. We then demonstrate that the mingled state displays algebraic structural correlations also found in driven binary mixtures. Finally, constructing a hydrodynamic theory, we single out the physical mechanisms responsible for these universal long-range correlations typical of ensembles of oppositely moving bodies.
Atomistic Modeling of RuAl and (RuNi) Al Alloys

NASA Technical Reports Server (NTRS)

Gargano, Pablo; Mosca, Hugo; Bozzolo, Guillermo; Noebe, Ronald D.; Gray, Hugh R. (Technical Monitor)

2002-01-01

Atomistic modeling of RuAl and RuAlNi alloys, using the BFS (Bozzolo-Ferrante-Smith) method for alloys is performed. The lattice parameter and energy of formation of B2 RuAl as a function of stoichiometry and the lattice parameter of (Ru(sub 50-x)Ni(sub x)Al(sub 50)) alloys as a function of Ni concentration are computed. BFS based Monte Carlo simulations indicate that compositions close to Ru25Ni25Al50 are single phase with no obvious evidence of a miscibility gap and separation of the individual B2 phases.
Equilibrium high entropy alloy phase stability from experiments and thermodynamic modeling

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

Saal, James E.; Berglund, Ida S.; Sebastian, Jason T.

Long-term stability of high entropy alloys (HEAs) is a critical consideration for the design and practical application of HEAs. It has long been assumed that many HEAs are a kinetically-stabilized metastable structure, and recent experiments have confirmed this hypothesis by observing HEA ecomposition after long-termequilibration. In the presentwork,we demonstrate the use of the CALculation of PHAse Diagrams (CALPHAD) approach to predict HEA stability and processing parameters, comparing experimental long-term annealing observations to CALPHAD phase diagrams from a commercially-available HEA database. As a result, we find good agreement between single- and multi-phase predictions and experiments.
Demodulation of moire fringes in digital holographic interferometry using an extended Kalman filter.

PubMed

Ramaiah, Jagadesh; Rastogi, Pramod; Rajshekhar, Gannavarpu

2018-03-10

This paper presents a method for extracting multiple phases from a single moire fringe pattern in digital holographic interferometry. The method relies on component separation using singular value decomposition and an extended Kalman filter for demodulating the moire fringes. The Kalman filter is applied by modeling the interference field locally as a multi-component polynomial phase signal and extracting the associated multiple polynomial coefficients using the state space approach. In addition to phase, the corresponding multiple phase derivatives can be simultaneously extracted using the proposed method. The applicability of the proposed method is demonstrated using simulation and experimental results.
Equilibrium high entropy alloy phase stability from experiments and thermodynamic modeling

DOE PAGES

Saal, James E.; Berglund, Ida S.; Sebastian, Jason T.; ...

2017-10-29

Long-term stability of high entropy alloys (HEAs) is a critical consideration for the design and practical application of HEAs. It has long been assumed that many HEAs are a kinetically-stabilized metastable structure, and recent experiments have confirmed this hypothesis by observing HEA ecomposition after long-termequilibration. In the presentwork,we demonstrate the use of the CALculation of PHAse Diagrams (CALPHAD) approach to predict HEA stability and processing parameters, comparing experimental long-term annealing observations to CALPHAD phase diagrams from a commercially-available HEA database. As a result, we find good agreement between single- and multi-phase predictions and experiments.
Zoo of Quantum Phases and Excitations of Cold Bosonic Atoms in Optical Lattices

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

Alon, Ofir E.; Streltsov, Alexej I.; Cederbaum, Lorenz S.

Quantum phases and phase transitions of weakly to strongly interacting bosonic atoms in deep to shallow optical lattices are described by a single multiorbital mean-field approach in real space. For weakly interacting bosons in one dimension, the critical value of the superfluid to Mott insulator (MI) transition found is in excellent agreement with many-body treatments of the Bose-Hubbard model. For strongly interacting bosons (i) additional MI phases appear, for which two (or more) atoms residing in each site undergo a Tonks-Girardeau-like transition and localize, and (ii) on-site excitation becomes the excitation lowest in energy. Experimental implications are discussed.
Calorimetric determination of the magnetic phase diagram of underdoped ortho II YBa2Cu3O6.54 single crystals

PubMed Central

Marcenat, C.; Demuer, A.; Beauvois, K.; Michon, B.; Grockowiak, A.; Liang, R.; Hardy, W.; Bonn, D. A.; Klein, T.

2015-01-01

The recent discovery of a charge order in underdoped YBa2Cu3Oy raised the question of the interplay between superconductivity and this competing phase. Understanding the normal state of high-temperature superconductors is now an essential step towards the description of the pairing mechanism in those materials and determining the upper critical field is therefore of fundamental importance. We present here a calorimetric determination of the field–temperature phase diagram in underdoped YBa2Cu3Oy single crystals. We show that the specific heat saturates in high magnetic fields. This saturation is consistent with a normal state without any significant superconducting contribution and a total Sommerfeld coefficient γN∼6.5±1.5 mJ mol−1 K−2 putting strong constraints on the theoretical models for the Fermi surface reconstruction. PMID:26294047
Three dimensional single molecule localization using a phase retrieved pupilfunction

PubMed Central

Liu, Sheng; Kromann, Emil B.; Krueger, Wesley D.; Bewersdorf, Joerg; Lidke, Keith A.

2013-01-01

Localization-based superresolution imaging is dependent on finding the positions of individualfluorophores in a sample by fitting the observed single-molecule intensity pattern to the microscopepoint spread function (PSF). For three-dimensional imaging, system-specific aberrations of theoptical system can lead to inaccurate localizations when the PSF model does not account for theseaberrations. Here we describe the use of phase-retrieved pupil functions to generate a more accuratePSF and therefore more accurate 3D localizations. The complex-valued pupil function containsinformation about the system-specific aberrations and can thus be used to generate the PSF forarbitrary defocus. Further, it can be modified to include depth dependent aberrations. We describethe phase retrieval process, the method for including depth dependent aberrations, and a fastfitting algorithm using graphics processing units. The superior localization accuracy of the pupilfunction generated PSF is demonstrated with dual focal plane 3D superresolution imaging ofbiological structures. PMID:24514501
Phases of kinky holographic nuclear matter

NASA Astrophysics Data System (ADS)

Elliot-Ripley, Matthew; Sutcliffe, Paul; Zamaklar, Marija

2016-10-01

Holographic QCD at finite baryon number density and zero temperature is studied within the five-dimensional Sakai-Sugimoto model. We introduce a new approximation that models a smeared crystal of solitonic baryons by assuming spatial homogeneity to obtain an effective kink theory in the holographic direction. The kink theory correctly reproduces a first order phase transition to lightly bound nuclear matter. As the density is further increased the kink splits into a pair of half-kink constituents, providing a concrete realization of the previously suggested dyonic salt phase, where the bulk soliton splits into constituents at high density. The kink model also captures the phenomenon of baryonic popcorn, in which a first order phase transition generates an additional soliton layer in the holographic direction. We find that this popcorn transition takes place at a density below the dyonic salt phase, making the latter energetically unfavourable. However, the kink model predicts only one pop, rather than the sequence of pops suggested by previous approximations. In the kink model the two layers produced by the single pop form the surface of a soliton bag that increases in size as the baryon chemical potential is increased. The interior of the bag is filled with abelian electric potential and the instanton charge density is localized on the surface of the bag. The soliton bag may provide a holographic description of a quarkyonic phase.
Single-particle excitations in periodically modulated two-dimensional electron gas

NASA Astrophysics Data System (ADS)

Kushwaha, Manvir S.

2008-06-01

A theoretical investigation is made of the plasmon excitations in a two-dimensional electron gas subjected to a one-dimensional periodic potential. We embark on the single-particle excitations within a two-subband model in the framework of Bohm-Pines’ random-phase approximation. For such an anisotropic system with spatially modulated charge density, we observe the existence of interesting esthetic necktie gaps that are found to center at the zone boundaries within the intersubband single-particle excitations. We discuss the dependence of the size of necktie gaps on the modulation potential.
A level set approach for shock-induced α-γ phase transition of RDX

NASA Astrophysics Data System (ADS)

Josyula, Kartik; Rahul; De, Suvranu

2018-02-01

We present a thermodynamically consistent level sets approach based on regularization energy functional which can be directly incorporated into a Galerkin finite element framework to model interface motion. The regularization energy leads to a diffusive form of flux that is embedded within the level sets evolution equation which maintains the signed distance property of the level set function. The scheme is shown to compare well with the velocity extension method in capturing the interface position. The proposed level sets approach is employed to study the α-γphase transformation in RDX single crystal shocked along the (100) plane. Example problems in one and three dimensions are presented. We observe smooth evolution of the phase interface along the shock direction in both models. There is no diffusion of the interface during the zero level set evolution in the three dimensional model. The level sets approach is shown to capture the characteristics of the shock-induced α-γ phase transformation such as stress relaxation behind the phase interface and the finite time required for the phase transformation to complete. The regularization energy based level sets approach is efficient, robust, and easy to implement.
Cheaper Synthesis Of Multipole-Brushless-dc-Motor Current

NASA Technical Reports Server (NTRS)

Alhorn, Dean C.; Howard, David E.

1994-01-01

Circuit converts output of single two-phase shaft-angle resolver to that of multi-speed three-phase shaft-angle resolver. Converter circuit applicable to generation of multispeed, multiphase shaft-angle-resolver signals from single two-phase shaft-angle resolver. Combination of converter circuit and single two-phase shaft-angle resolver offer advantages in cost, weight, size, and complexity. Design readily adaptable to two-phase motor.
An agent-based method for simulating porous fluid-saturated structures with indistinguishable components

NASA Astrophysics Data System (ADS)

Kashani, Jamal; Pettet, Graeme John; Gu, YuanTong; Zhang, Lihai; Oloyede, Adekunle

2017-10-01

Single-phase porous materials contain multiple components that intermingle up to the ultramicroscopic level. Although the structures of the porous materials have been simulated with agent-based methods, the results of the available methods continue to provide patterns of distinguishable solid and fluid agents which do not represent materials with indistinguishable phases. This paper introduces a new agent (hybrid agent) and category of rules (intra-agent rule) that can be used to create emergent structures that would more accurately represent single-phase structures and materials. The novel hybrid agent carries the characteristics of system's elements and it is capable of changing within itself, while also responding to its neighbours as they also change. As an example, the hybrid agent under one-dimensional cellular automata formalism in a two-dimensional domain is used to generate patterns that demonstrate the striking morphological and characteristic similarities with the porous saturated single-phase structures where each agent of the ;structure; carries semi-permeability property and consists of both fluid and solid in space and at all times. We conclude that the ability of the hybrid agent to change locally provides an enhanced protocol to simulate complex porous structures such as biological tissues which could facilitate models for agent-based techniques and numerical methods.
Detecting Unsteady Blade Row Interaction in a Francis Turbine using a Phase-Lag Boundary Condition

NASA Astrophysics Data System (ADS)

Wouden, Alex; Cimbala, John; Lewis, Bryan

2013-11-01

For CFD simulations in turbomachinery, methods are typically used to reduce the computational cost. For example, the standard periodic assumption reduces the underlying mesh to a single blade passage in axisymmetric applications. If the simulation includes only a single array of blades with an uniform inlet condition, this assumption is adequate. However, to compute the interaction between successive blade rows of differing periodicity in an unsteady simulation, the periodic assumption breaks down and may produce inaccurate results. As a viable alternative the phase-lag boundary condition assumes that the periodicity includes a temporal component which, if considered, allows for a single passage to be modeled per blade row irrespective of differing periodicity. Prominently used in compressible CFD codes for the analysis of gas turbines/compressors, the phase-lag boundary condition is adapted to analyze the interaction between the guide vanes and rotor blades in an incompressible simulation of the 1989 GAMM Workshop Francis turbine using OpenFOAM. The implementation is based on the ``direct-storage'' method proposed in 1977 by Erdos and Alzner. The phase-lag simulation is compared with available data from the GAMM workshop as well as a full-wheel simulation. Funding provided by DOE Award number: DE-EE0002667.
Phase locking and multiple oscillating attractors for the coupled mammalian clock and cell cycle

PubMed Central

Feillet, Céline; Krusche, Peter; Tamanini, Filippo; Janssens, Roel C.; Downey, Mike J.; Martin, Patrick; Teboul, Michèle; Saito, Shoko; Lévi, Francis A.; Bretschneider, Till; van der Horst, Gijsbertus T. J.; Delaunay, Franck; Rand, David A.

2014-01-01

Daily synchronous rhythms of cell division at the tissue or organism level are observed in many species and suggest that the circadian clock and cell cycle oscillators are coupled. For mammals, despite known mechanistic interactions, the effect of such coupling on clock and cell cycle progression, and hence its biological relevance, is not understood. In particular, we do not know how the temporal organization of cell division at the single-cell level produces this daily rhythm at the tissue level. Here we use multispectral imaging of single live cells, computational methods, and mathematical modeling to address this question in proliferating mouse fibroblasts. We show that in unsynchronized cells the cell cycle and circadian clock robustly phase lock each other in a 1:1 fashion so that in an expanding cell population the two oscillators oscillate in a synchronized way with a common frequency. Dexamethasone-induced synchronization reveals additional clock states. As well as the low-period phase-locked state there are distinct coexisting states with a significantly higher period clock. Cells transition to these states after dexamethasone synchronization. The temporal coordination of cell division by phase locking to the clock at a single-cell level has significant implications because disordered circadian function is increasingly being linked to the pathogenesis of many diseases, including cancer. PMID:24958884

Phase locking and multiple oscillating attractors for the coupled mammalian clock and cell cycle.

PubMed

Feillet, Céline; Krusche, Peter; Tamanini, Filippo; Janssens, Roel C; Downey, Mike J; Martin, Patrick; Teboul, Michèle; Saito, Shoko; Lévi, Francis A; Bretschneider, Till; van der Horst, Gijsbertus T J; Delaunay, Franck; Rand, David A

2014-07-08

Daily synchronous rhythms of cell division at the tissue or organism level are observed in many species and suggest that the circadian clock and cell cycle oscillators are coupled. For mammals, despite known mechanistic interactions, the effect of such coupling on clock and cell cycle progression, and hence its biological relevance, is not understood. In particular, we do not know how the temporal organization of cell division at the single-cell level produces this daily rhythm at the tissue level. Here we use multispectral imaging of single live cells, computational methods, and mathematical modeling to address this question in proliferating mouse fibroblasts. We show that in unsynchronized cells the cell cycle and circadian clock robustly phase lock each other in a 1:1 fashion so that in an expanding cell population the two oscillators oscillate in a synchronized way with a common frequency. Dexamethasone-induced synchronization reveals additional clock states. As well as the low-period phase-locked state there are distinct coexisting states with a significantly higher period clock. Cells transition to these states after dexamethasone synchronization. The temporal coordination of cell division by phase locking to the clock at a single-cell level has significant implications because disordered circadian function is increasingly being linked to the pathogenesis of many diseases, including cancer.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Rui; Zhang, Yingchen

Designing market mechanisms for electricity distribution systems has been a hot topic due to the increased presence of smart loads and distributed energy resources (DERs) in distribution systems. The distribution locational marginal pricing (DLMP) methodology is one of the real-time pricing methods to enable such market mechanisms and provide economic incentives to active market participants. Determining the DLMP is challenging due to high power losses, the voltage volatility, and the phase imbalance in distribution systems. Existing DC Optimal Power Flow (OPF) approaches are unable to model power losses and the reactive power, while single-phase AC OPF methods cannot capture themore » phase imbalance. To address these challenges, in this paper, a three-phase AC OPF based approach is developed to define and calculate DLMP accurately. The DLMP is modeled as the marginal cost to serve an incremental unit of demand at a specific phase at a certain bus, and is calculated using the Lagrange multipliers in the three-phase AC OPF formulation. Extensive case studies have been conducted to understand the impact of system losses and the phase imbalance on DLMPs as well as the potential benefits of flexible resources.« less
Disordered Kitaev chains with long-range pairing.

PubMed

Cai, Xiaoming

2017-03-22

We study the competition of disorder and superconductivity for a generalized Kitaev model in incommensurate potentials. The generalized Kitaev model describes one dimensional spinless fermions with long-range p-wave superconducting pairing, which decays with distance l as a power law ∼[Formula: see text]. We focus on the transition from the topological superconducting phase to the topologically trivial Anderson localized phase, and effects of the exponent α on this phase transition. In the topological superconducting phase, for a system under open boundary condition the amplitude of zero-mode Majorana fermion has a hybrid exponential-algebraic decay as the distance increases from the edge. In the Anderson localized phase, some single-particle states remain critical for very strong disorders and the number of critical states increases as α decreases. In addition, except for critical disorders, the correlation function always has an exponential decay at the short range and an algebraic decay at the long range. Phase transition points are also numerically determined and the topological phase transition happens earlier at a smaller disorder strength for a system with smaller α.
Evaluation of a compact tinnitus therapy by electrophysiological tinnitus decompensation measures.

PubMed

Low, Yin Fen; Argstatter, Heike; Bolay, Hans Volker; Strauss, Daniel J

2008-01-01

Large-scale neural correlates of the tinnitus decompensation have been identified by using wavelet phase stability criteria of single sweep sequences of auditory late responses (ALRs). Our previous work showed that the synchronization stability in ALR sequences might be used for objective quantification of the tinnitus decompensation and attention which link to Jastreboff tinnitus model. In this study, we intend to provide an objective evaluation for quantifying the effect of music therapy in tinnitus patients. We examined neural correlates of the attentional mechanism in single sweep sequences of ALRs in chronic tinnitus patients who underwent compact therapy course by using the maximum entropy auditory paradigm. Results by our measure showed that the extent of differentiation between attended and unattended conditions improved significantly after the therapy. It is concluded that the wavelet phase synchronization stability of ALRs single sweeps can be used for the objective evaluation of tinnitus therapies, in this case the compact tinnitus music therapy.
Scaling Relations for Viscous and Gravitational Flow Instabilities in Multiphase Multicomponent Compressible Flow

NASA Astrophysics Data System (ADS)

Moortgat, J.; Amooie, M. A.; Soltanian, M. R.

2016-12-01

Problems in hydrogeology and hydrocarbon reservoirs generally involve the transport of solutes in a single solvent phase (e.g., contaminants or dissolved injection gas), or the flow of multiple phases that may or may not exchange mass (e.g., brine, NAPL, oil, gas). Often, flow is viscously and gravitationally unstable due to mobility and density contrasts within a phase or between phases. Such instabilities have been studied in detail for single-phase incompressible fluids and for two-phase immiscible flow, but to a lesser extent for multiphase multicomponent compressible flow. The latter is the subject of this presentation. Robust phase stability analyses and phase split calculations, based on equations of state, determine the mass exchange between phases and the resulting phase behavior, i.e., phase densities, viscosities, and volumes. Higher-order finite element methods and fine grids are used to capture the small-scale onset of flow instabilities. A full matrix of composition dependent coefficients is considered for each Fickian diffusive phase flux. Formation heterogeneity can have a profound impact and is represented by realistic geostatistical models. Qualitatively, fingering in multiphase compositional flow is different from single-phase problems because 1) phase mobilities depend on rock wettability through relative permeabilities, and 2) the initial density and viscosity ratios between phases may change due to species transfer. To quantify mixing rates in different flow regimes and for varying degrees of miscibility and medium heterogeneities, we define the spatial variance, scalar dissipation rate, dilution index, skewness, and kurtosis of the molar density of introduced species. Molar densities, unlike compositions, include compressibility effects. The temporal evolution of these measures shows that, while transport at the small-scale (cm) is described by the classical advection-diffusion-dispersion relations, scaling at the macro-scale (> 10 m) shows transitions between advective, diffusive, ballistic, sub-diffusive, and non-Fickian diffusive behavior. These scaling relations can be used to improve the predictive powers of field-scale reservoir simulations that cannot resolve the complexities of unstable flow and transport at cm-m scales.
Two-Dimensional Array Beam Scanning Via Externally and Mutually Injection Locked Coupled Oscillators

NASA Technical Reports Server (NTRS)

Pogorzelski, Ronald J.

2000-01-01

Some years ago, Stephan proposed an approach to one dimensional (linear) phased array beam steering which requires only a single phase shifter. This involves the use of a linear array of voltage-controlled electronic oscillators coupled to nearest neighbors. The oscillators are mutually injection locked by controlling their coupling and tuning appropriately. Stephan's approach consists of deriving two signals from a master oscillator, one signal phase shifted with respect to the other by means of a single phase shifter. These two signals are injected into the end oscillators of the array. The result is a linear phase progression across the oscillator array. Thus, if radiating elements are connected to each oscillator and spaced uniformly along a line, they will radiate a beam at an angle to that line determined by the phase gradient which is, in turn, determined by the phase difference between the injection signals.The beam direction is therefore controlled by adjusting this phase difference. Recently, Pogorzelski and York presented a formulation which facilitates theoretical analysis of the above beam steering technique. This was subsequently applied by Pogorzelski in analysis of two dimensional beam steering using perimeter detuning of a coupled oscillator array. The formulation is based on a continuum model in which the oscillator phases are represented by a continuous function satisfying a partial differential equation of diffusion type. This equation can be solved via the Laplace transform and the resulting solution exhibits the dynamic behavior of the array as the beam is steered. Stephan's beam steering technique can be similarly generalized to two-dimensional arrays in which the beam control signals are applied to the oscillators on the perimeter of the array. In this paper the continuum model for this two-dimensional case is developed and the dynamic solution for the corresponding aperture phase function is obtained. The corresponding behavior of the resulting far-zone radiation pattern is displayed as well.
FIBER OPTICS: Polarization phase nonreciprocity in all-fiber ring interferometers

NASA Astrophysics Data System (ADS)

Andreev, A. Ts; Vasilev, V. D.; Kozlov, V. A.; Kuznetsov, A. V.; Senatorov, A. A.; Shubochkin, R. L.

1993-08-01

The polarization phase nonreciprocity in all-fiber ring interferometers based on single-mode optical fibers was studied experimentally. The results confirm existing theoretical models. Experimentally, it was possible to use fiber ring interferometers to measure the extinction coefficients of optical fiber polarizers. The largest extinction coefficients found for optical-fiber polarizers were 84 dB (for the wavelength 0.82 μm) and 86 dB (1.3 μm).
A ’Single Audit’ Model for Federal Credit Unions.

DTIC Science & Technology

1981-06-01

role of internal auditing in appraising the performance of management and the basic knowledge an internal auditor must possess. The last section of...the separate phases of a per- formance audit are explained as well as the role of the auditor in each phase. 1. Defining the Audit Objective Auditors ...Additionally, the auditor must review each investment to determine if security and liquidity requirements are maintained. (2) Planning Role . The
Perovskite single crystals and thin films for optoelectronic devices (Conference Presentation)

NASA Astrophysics Data System (ADS)

Li, Gang; Han, Qifeng; Yang, Yang; Bae, Sang-Hoon; Sun, Pengyu

2016-09-01

Hybrid organolead trihalide perovskite (OTP) solar cells have developed as a promising candidate in photovoltaics due to their excellent properties including a direct bandgap, strong absorption coefficient, long carrier lifetime, and high mobility. Most recently, formamidinium (NH2CH=NH2+ or FA) lead iodide (FAPbI3) has attracted significant attention due to several advantages: (1) the larger organic FA cation can replace the MA cation and form a more symmetric crystal structure, (2) the smaller bandgap of FAPbI3 allows for near infrared (NIR) absorption, and (3) FAPbI3 has an elevated decomposition temperature and thus potential to improve stability. Single crystals provide an excellent model system to study the intrinsic electrical and optical properties of these materials due to their high purity, which is particularly important to understand the limits of these materials. In this work, we report the growth of large ( 5 millimeter size) single crystal FAPbI3 using a novel liquid based crystallization method. The single crystal FAPbI3 demonstrated a δ-phase to α-phase transition with a color change from yellow to black when heated to 185°C within approximately two minutes. The crystal structures of the two phases were identified and the PL emission peak of the α-phase FAPbI3 (820 nm) shows clear red-shift compared to the FAPbI3 thin film (805 nm). The FAPbI3 single crystal shows a long carrier lifetime of 484 ns, a high carrier mobility of 4.4 cm2·V-1·s-1, and even more interestingly a conductivity of 1.1 × 10-7(ohm·cm)-1, which is approximately one order of magnitude higher than that of the MAPbI3 single crystal. Finally, high performance photoconductivity type photodetectors were successfully demonstrated using the single crystal FAPbI3.
Implicitly solving phase appearance and disappearance problems using two-fluid six-equation model

DOE PAGES

Zou, Ling; Zhao, Haihua; Zhang, Hongbin

2016-01-25

Phase appearance and disappearance issue presents serious numerical challenges in two-phase flow simulations using the two-fluid six-equation model. Numerical challenges arise from the singular equation system when one phase is absent, as well as from the discontinuity in the solution space when one phase appears or disappears. In this work, a high-resolution spatial discretization scheme on staggered grids and fully implicit methods were applied for the simulation of two-phase flow problems using the two-fluid six-equation model. A Jacobian-free Newton-Krylov (JFNK) method was used to solve the discretized nonlinear problem. An improved numerical treatment was proposed and proved to be effectivemore » to handle the numerical challenges. The treatment scheme is conceptually simple, easy to implement, and does not require explicit truncations on solutions, which is essential to conserve mass and energy. Various types of phase appearance and disappearance problems relevant to thermal-hydraulics analysis have been investigated, including a sedimentation problem, an oscillating manometer problem, a non-condensable gas injection problem, a single-phase flow with heat addition problem and a subcooled flow boiling problem. Successful simulations of these problems demonstrate the capability and robustness of the proposed numerical methods and numerical treatments. As a result, volume fraction of the absent phase can be calculated effectively as zero.« less
Compositional Effects on Nickel-Base Superalloy Single Crystal Microstructures

NASA Technical Reports Server (NTRS)

MacKay, Rebecca A.; Gabb, Timothy P.; Garg,Anita; Rogers, Richard B.; Nathal, Michael V.

2012-01-01

Fourteen nickel-base superalloy single crystals containing 0 to 5 wt% chromium (Cr), 0 to 11 wt% cobalt (Co), 6 to 12 wt% molybdenum (Mo), 0 to 4 wt% rhenium (Re), and fixed amounts of aluminum (Al) and tantalum (Ta) were examined to determine the effect of bulk composition on basic microstructural parameters, including gamma' solvus, gamma' volume fraction, volume fraction of topologically close-packed (TCP) phases, phase chemistries, and gamma - gamma'. lattice mismatch. Regression models were developed to describe the influence of bulk alloy composition on the microstructural parameters and were compared to predictions by a commercially available software tool that used computational thermodynamics. Co produced the largest change in gamma' solvus over the wide compositional range used in this study, and Mo produced the largest effect on the gamma lattice parameter and the gamma - gamma' lattice mismatch over its compositional range, although Re had a very potent influence on all microstructural parameters investigated. Changing the Cr, Co, Mo, and Re contents in the bulk alloy had a significant impact on their concentrations in the gamma matrix and, to a smaller extent, in the gamma' phase. The gamma phase chemistries exhibited strong temperature dependencies that were influenced by the gamma and gamma' volume fractions. A computational thermodynamic modeling tool significantly underpredicted gamma' solvus temperatures and grossly overpredicted the amount of TCP phase at 982 C. Furthermore, the predictions by the software tool for the gamma - gamma' lattice mismatch were typically of the wrong sign and magnitude, but predictions could be improved if TCP formation was suspended within the software program. However, the statistical regression models provided excellent estimations of the microstructural parameters based on bulk alloy composition, thereby demonstrating their usefulness.
Multiphysics modeling of two-phase film boiling within porous corrosion deposits

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

Jin, Miaomiao, E-mail: mmjin@mit.edu; Short, Michael, E-mail: hereiam@mit.edu

2016-07-01

Porous corrosion deposits on nuclear fuel cladding, known as CRUD, can cause multiple operational problems in light water reactors (LWRs). CRUD can cause accelerated corrosion of the fuel cladding, increase radiation fields and hence greater exposure risk to plant workers once activated, and induce a downward axial power shift causing an imbalance in core power distribution. In order to facilitate a better understanding of CRUD's effects, such as localized high cladding surface temperatures related to accelerated corrosion rates, we describe an improved, fully-coupled, multiphysics model to simulate heat transfer, chemical reactions and transport, and two-phase fluid flow within these deposits.more » Our new model features a reformed assumption of 2D, two-phase film boiling within the CRUD, correcting earlier models' assumptions of single-phase coolant flow with wick boiling under high heat fluxes. This model helps to better explain observed experimental values of the effective CRUD thermal conductivity. Finally, we propose a more complete set of boiling regimes, or a more detailed mechanism, to explain recent CRUD deposition experiments by suggesting the new concept of double dryout specifically in thick porous media with boiling chimneys. - Highlights: • A two-phase model of CRUD's effects on fuel cladding is developed and improved. • This model eliminates the formerly erroneous assumption of wick boiling. • Higher fuel cladding temperatures are predicted when accounting for two-phase flow. • Double-peaks in thermal conductivity vs. heat flux in experiments are explained. • A “double dryout” mechanism in CRUD is proposed based on the model and experiments.« less
When and why do old adults outsource control to the environment?

PubMed

Mayr, Ulrich; Spieler, Daniel H; Hutcheon, Thomas G

2015-09-01

Old adults' tendency to rely on information present in the environment rather than internal representations has been frequently noted, but is not well understood. The fade-out paradigm provides a useful model situation to study this internal-to-external shift across the life span: Subjects need to transition from an initial, cued task-switching phase to a fade-out phase where only 1 task remains relevant. Old adults exhibit large response-time "fade-out costs," mainly because they continue to consult the task cues. Here we show that age differences in fade-out costs remain very large even when we insert between the task-switching and the fade-out phase 20 single-task trials without task cues (during which even old adults' performance becomes highly fluent; Experiment 1), but costs in old adults are eliminated when presenting an on-screen instruction to focus on the 1 remaining task at the transition point between the task-switching and fade-out phase (Experiment 2). Furthermore, old adults, but not young adults, also exhibited "fade-in costs" when they were instructed to perform an initial single-task phase that would be followed by the cued task-switching phase (Experiment 3). Combined, these results show that old adults' tendency to overutilize external support is not a problem of perseverating earlier-relevant control settings. Instead, old adults seem less likely to initiate the necessary reconfiguration process when transitioning from 1 phase to the next because they use underspecified task models that lack the higher-level distinction between those contexts that do and that do not require external support. (c) 2015 APA, all rights reserved).
Approximation to cutoffs of higher modes of Rayleigh waves for a layered earth model

USGS Publications Warehouse

Xu, Y.; Xia, J.; Miller, R.D.

2009-01-01

A cutoff defines the long-period termination of a Rayleigh-wave higher mode and, therefore is a key characteristic of higher mode energy relationship to several material properties of the subsurface. Cutoffs have been used to estimate the shear-wave velocity of an underlying half space of a layered earth model. In this study, we describe a method that replaces the multilayer earth model with a single surface layer overlying the half-space model, accomplished by harmonic averaging of velocities and arithmetic averaging of densities. Using numerical comparisons with theoretical models validates the single-layer approximation. Accuracy of this single-layer approximation is best defined by values of the calculated error in the frequency and phase velocity estimate at a cutoff. Our proposed method is intuitively explained using ray theory. Numerical results indicate that a cutoffs frequency is controlled by the averaged elastic properties within the passing depth of Rayleigh waves and the shear-wave velocity of the underlying half space. ?? Birkh??user Verlag, Basel 2009.
Speech enhancement using the modified phase-opponency model.

PubMed

Deshmukh, Om D; Espy-Wilson, Carol Y; Carney, Laurel H

2007-06-01

In this paper we present a model called the Modified Phase-Opponency (MPO) model for single-channel speech enhancement when the speech is corrupted by additive noise. The MPO model is based on the auditory PO model, proposed for detection of tones in noise. The PO model includes a physiologically realistic mechanism for processing the information in neural discharge times and exploits the frequency-dependent phase properties of the tuned filters in the auditory periphery by using a cross-auditory-nerve-fiber coincidence detection for extracting temporal cues. The MPO model alters the components of the PO model such that the basic functionality of the PO model is maintained but the properties of the model can be analyzed and modified independently. The MPO-based speech enhancement scheme does not need to estimate the noise characteristics nor does it assume that the noise satisfies any statistical model. The MPO technique leads to the lowest value of the LPC-based objective measures and the highest value of the perceptual evaluation of speech quality measure compared to other methods when the speech signals are corrupted by fluctuating noise. Combining the MPO speech enhancement technique with our aperiodicity, periodicity, and pitch detector further improves its performance.
Identifying Effective Design Approaches to Allocate Genotypes in Two-Phase Designs: A Case Study in Pelargonium zonale

PubMed Central

Molenaar, Heike; Boehm, Robert; Piepho, Hans-Peter

2018-01-01

Robust phenotypic data allow adequate statistical analysis and are crucial for any breeding purpose. Such data is obtained from experiments laid out to best control local variation. Additionally, experiments frequently involve two phases, each contributing environmental sources of variation. For example, in a former experiment we conducted to evaluate production related traits in Pelargonium zonale, there were two consecutive phases, each performed in a different greenhouse. Phase one involved the propagation of the breeding strains to obtain the stem cutting count, and phase two involved the assessment of root formation. The evaluation of the former study raised questions regarding options for improving the experimental layout: (i) Is there a disadvantage to using exactly the same design in both phases? (ii) Instead of generating a separate layout for each phase, can the design be optimized across both phases, such that the mean variance of a pair-wise treatment difference (MVD) can be decreased? To answer these questions, alternative approaches were explored to generate two-phase designs either in phase-wise order (Option 1) or across phases (Option 2). In Option 1 we considered the scenarios (i) using in both phases the same experimental design and (ii) randomizing each phase separately. In Option 2, we considered the scenarios (iii) generating a single design with eight replicates and splitting these among the two phases, (iv) separating the block structure across phases by dummy coding, and (v) design generation with optimal alignment of block units in the two phases. In both options, we considered the same or different block structures in each phase. The designs were evaluated by the MVD obtained by the intra-block analysis and the joint inter-block–intra-block analysis. The smallest MVD was most frequently obtained for designs generated across phases rather than for each phase separately, in particular when both phases of the design were separated with a single pseudo-level. The joint optimization ensured that treatment concurrences were equally balanced across pairs, one of the prerequisites for an efficient design. The proposed alternative approaches can be implemented with any model-based design packages with facilities to formulate linear models for treatment and block structures. PMID:29354145
The anamorphic universe

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

Ijjas, Anna; Steinhardt, Paul J., E-mail: aijjas@princeton.edu, E-mail: steinh@princeton.edu

We introduce ''anamorphic'' cosmology, an approach for explaining the smoothness and flatness of the universe on large scales and the generation of a nearly scale-invariant spectrum of adiabatic density perturbations. The defining feature is a smoothing phase that acts like a contracting universe based on some Weyl frame-invariant criteria and an expanding universe based on other frame-invariant criteria. An advantage of the contracting aspects is that it is possible to avoid the multiverse and measure problems that arise in inflationary models. Unlike ekpyrotic models, anamorphic models can be constructed using only a single field and can generate a nearly scale-invariantmore » spectrum of tensor perturbations. Anamorphic models also differ from pre-big bang and matter bounce models that do not explain the smoothness. We present some examples of cosmological models that incorporate an anamorphic smoothing phase.« less
Experimental demonstration of a measurement-based realisation of a quantum channel

NASA Astrophysics Data System (ADS)

McCutcheon, W.; McMillan, A.; Rarity, J. G.; Tame, M. S.

2018-03-01

We introduce and experimentally demonstrate a method for realising a quantum channel using the measurement-based model. Using a photonic setup and modifying the basis of single-qubit measurements on a four-qubit entangled cluster state, representative channels are realised for the case of a single qubit in the form of amplitude and phase damping channels. The experimental results match the theoretical model well, demonstrating the successful performance of the channels. We also show how other types of quantum channels can be realised using our approach. This work highlights the potential of the measurement-based model for realising quantum channels which may serve as building blocks for simulations of realistic open quantum systems.
Picometer Level Modeling of a Shared Vertex Double Corner Cube in the Space Interferometry Mission Kite Testbed

NASA Technical Reports Server (NTRS)

Kuan, Gary M.; Dekens, Frank G.

2006-01-01

The Space Interferometry Mission (SIM) is a microarcsecond interferometric space telescope that requires picometer level precision measurements of its truss and interferometer baselines. Single-gauge metrology errors due to non-ideal physical characteristics of corner cubes reduce the angular measurement capability of the science instrument. Specifically, the non-common vertex error (NCVE) of a shared vertex, double corner cube introduces micrometer level single-gauge errors in addition to errors due to dihedral angles and reflection phase shifts. A modified SIM Kite Testbed containing an articulating double corner cube is modeled and the results are compared to the experimental testbed data. The results confirm modeling capability and viability of calibration techniques.
A canonical state-space representation for SISO systems using multipoint Jordan CFE. [Continued-Fraction Expansion

NASA Technical Reports Server (NTRS)

Hwang, Chyi; Guo, Tong-Yi; Shieh, Leang-San

1991-01-01

A canonical state-space realization based on the multipoint Jordan continued-fraction expansion (CFE) is presented for single-input-single-output (SISO) systems. The similarity transformation matrix which relates the new canonical form to the phase-variable canonical form is also derived. The presented canonical state-space representation is particularly attractive for the application of SISO system theory in which a reduced-dimensional time-domain model is necessary.

A 63 K phase change unit integrating with pulse tube cryocoolers

NASA Astrophysics Data System (ADS)

Chunhui, Kong; Liubiao, Chen; Sixue, Liu; Yuan, Zhou; Junjie, Wang

2017-02-01

This article presents the design and computer model results of an integrated cooler system which consists of a single stage pulse tube cryocooler integrated with a small amount of a phase change material. A cryogenic thermal switch was used to thermally connect the phase change unit to the cold end of the cryocooler. During heat load operation, the cryogenic thermal switch is turned off to avoid vibrations. The phase change unit absorbs heat loads by melting a substance in a constant pressure-temperature-volume process. Once the substance has been melted, the cryogenic thermal turned on, the cryocooler can then refreeze the material. Advantages of this type of cooler are no vibrations during sensor operations; the ability to absorb increased heat loads; potentially longer system lifetime; and a lower mass, volume and cost. A numerical model was constructed from derived thermodynamic relationships for the cooling/heating and freezing/melting processes.
Ultrafast studies of coexisting electronic order in cuprate superconductors

NASA Astrophysics Data System (ADS)

Hinton, James; Thewalt, Eric; Alpichshev, Zhanybek; Sternbach, Aaron; McLeod, Alex; Ji, L.; Veit, Mike; Dorrow, Chelsey; Koralek, Jake; Xhao, Xudong; Barisic, Neven; Kemper, Alexander; Gedik, Nuh; Greven, Martin; Basov, Dimitri; Orenstein, Joe

The cuprate family of high temperature superconductors displays a variety of electronic phases which emerge when charge carriers are added to the antiferromagnetic parent compound. These electronic phases are characterized by subtle differences in the low energy electronic excitations. Ultrafast time-resolved reflectivity (TRR) provides an ideal tool for investigating the cuprate phase diagram, as small changes in the electronic structure can produce significant contrast in the non-equilibrium reflectivity. Here we present TRR measurements of cuprate superconductors, focusing on the model single-layer cuprate HgBa2CuO4+δ. We observe a cusp-like feature in the quasiparticle lifetime near the superconducting transition temperature Tc. This feature can be understood using a model of coherently-mixed charge-density wave and superconducting pairing. We propose extending this technique to the nanoscale using ultrafast scattering scanning near-field microscopy (u-SNOM). This will allow us to explore how these electronic phases coexist and compete in real-space.
Simulation of Containment Atmosphere Mixing and Stratification Experiment in the ThAI Facility with a CFD Code

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

Babic, Miroslav; Kljenak, Ivo; Mavko, Borut

2006-07-01

The CFD code CFX4.4 was used to simulate an experiment in the ThAI facility, which was designed for investigation of thermal-hydraulic processes during a severe accident inside a Light Water Reactor containment. In the considered experiment, air was initially present in the vessel, and helium and steam were injected during different phases of the experiment at various mass flow rates and at different locations. The main purpose of the proposed work was to assess the capabilities of the CFD code to reproduce the atmosphere structure with a three-dimensional model, coupled with condensation models proposed by the authors. A three-dimensional modelmore » of the ThAI vessel for the CFX4.4 code was developed. The flow in the simulation domain was modeled as single-phase. Steam condensation on vessel walls was modeled as a sink of mass and energy using a correlation that was originally developed for an integral approach. A simple model of bulk phase change was also included. Calculated time-dependent variables together with temperature and volume fraction distributions at the end of different experiment phases are compared to experimental results. (authors)« less
Phosphorylation-mediated RNA/peptide complex coacervation as a model for intracellular liquid organelles

NASA Astrophysics Data System (ADS)

Aumiller, William M.; Keating, Christine D.

2016-02-01

Biological cells are highly organized, with numerous subcellular compartments. Phosphorylation has been hypothesized as a means to control the assembly/disassembly of liquid-like RNA- and protein-rich intracellular bodies, or liquid organelles, that lack delimiting membranes. Here, we demonstrate that charge-mediated phase separation, or complex coacervation, of RNAs with cationic peptides can generate simple model liquid organelles capable of reversibly compartmentalizing biomolecules. Formation and dissolution of these liquid bodies was controlled by changes in peptide phosphorylation state using a kinase/phosphatase enzyme pair. The droplet-generating phase transition responded to modification of even a single serine residue. Electrostatic interactions between the short cationic peptides and the much longer polyanionic RNAs drove phase separation. Coacervates were also formed on silica beads, a primitive model for localization at specific intracellular sites. This work supports phosphoregulation of complex coacervation as a viable mechanism for dynamic intracellular compartmentalization in membraneless organelles.
Steady states and outbreaks of two-phase nonlinear age-structured model of population dynamics with discrete time delay.

PubMed

Akimenko, Vitalii; Anguelov, Roumen

2017-12-01

In this paper we study the nonlinear age-structured model of a polycyclic two-phase population dynamics including delayed effect of population density growth on the mortality. Both phases are modelled as a system of initial boundary values problem for semi-linear transport equation with delay and initial problem for nonlinear delay ODE. The obtained system is studied both theoretically and numerically. Three different regimes of population dynamics for asymptotically stable states of autonomous systems are obtained in numerical experiments for the different initial values of population density. The quasi-periodical travelling wave solutions are studied numerically for the autonomous system with the different values of time delays and for the system with oscillating death rate and birth modulus. In both cases it is observed three types of travelling wave solutions: harmonic oscillations, pulse sequence and single pulse.
X-Ray Radiography Measurements of Shear Coaxial Rocket Injectors

DTIC Science & Technology

2013-02-01

turbofan engine exhaust, air blast furnaces, and liquid rocket engines) shear coaxial jets have been stud- ied for over sixty years [1]. In all applications...fluids as either single or multiple phases. Most of the fundamental coaxial jet research has been done using a single phase (either gas-gas or liquid ... liquid mixing). A brief review of single-phase coaxial jet research can be found in Schumaker and Driscoll [5]. Single-phase cases also include work
Aerospace applications of SINDA/FLUINT at the Johnson Space Center

NASA Technical Reports Server (NTRS)

Ewert, Michael K.; Bellmore, Phillip E.; Andish, Kambiz K.; Keller, John R.

1992-01-01

SINDA/FLUINT has been found to be a versatile code for modeling aerospace systems involving single or two-phase fluid flow and all modes of heat transfer. Several applications of SINDA/FLUINT are described in this paper. SINDA/FLUINT is being used extensively to model the single phase water loops and the two-phase ammonia loops of the Space Station Freedom active thermal control system (ATCS). These models range from large integrated system models with multiple submodels to very detailed subsystem models. An integrated Space Station ATCS model has been created with ten submodels representing five water loops, three ammonia loops, a Freon loop and a thermal submodel representing the air loop. The model, which has approximately 800 FLUINT lumps and 300 thermal nodes, is used to determine the interaction between the multiple fluid loops which comprise the Space Station ATCS. Several detailed models of the flow-through radiator subsystem of the Space Station ATCS have been developed. One model, which has approximately 70 FLUINT lumps and 340 thermal nodes, provides a representation of the ATCS low temperature radiator array with two fluid loops connected only by conduction through the radiator face sheet. The detailed models are used to determine parameters such as radiator fluid return temperature, fin efficiency, flow distribution and total heat rejection for the baseline design as well as proposed alternate designs. SINDA/FLUINT has also been used as a design tool for several systems using pressurized gasses. One model examined the pressurization and depressurization of the Space Station airlock under a variety of operating conditions including convection with the side walls and internal cooling. Another model predicted the performance of a new generation of manned maneuvering units. This model included high pressure gas depressurization, internal heat transfer and supersonic thruster equations. The results of both models were used to size components, such as the heaters and gas bottles and also to point to areas where hardware testing was needed.
Computational modeling of high-entropy alloys: Structures, thermodynamics and elasticity

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

Gao, Michael C.; Gao, Pan; Hawk, Jeffrey A.

This study provides a short review on computational modeling on the formation, thermodynamics, and elasticity of single-phase high-entropy alloys (HEAs). Hundreds of predicted single-phase HEAs were re-examined using various empirical thermo-physical parameters. Potential BCC HEAs (CrMoNbTaTiVW, CrMoNbReTaTiVW, and CrFeMoNbReRuTaVW) were suggested based on CALPHAD modeling. The calculated vibrational entropies of mixing are positive for FCC CoCrFeNi, negative for BCC MoNbTaW, and near-zero for HCP CoOsReRu. The total entropies of mixing were observed to trend in descending order: CoCrFeNi > CoOsReRu > MoNbTaW. Calculated lattice parameters agree extremely well with averaged values estimated from the rule of mixtures (ROM) if themore » same crystal structure is used for the elements and the alloy. The deviation in the calculated elastic properties from ROM for select alloys is small but is susceptible to the choice used for the structures of pure components.« less
Computational modeling of high-entropy alloys: Structures, thermodynamics and elasticity

DOE PAGES

Gao, Michael C.; Gao, Pan; Hawk, Jeffrey A.; ...

2017-10-12

This study provides a short review on computational modeling on the formation, thermodynamics, and elasticity of single-phase high-entropy alloys (HEAs). Hundreds of predicted single-phase HEAs were re-examined using various empirical thermo-physical parameters. Potential BCC HEAs (CrMoNbTaTiVW, CrMoNbReTaTiVW, and CrFeMoNbReRuTaVW) were suggested based on CALPHAD modeling. The calculated vibrational entropies of mixing are positive for FCC CoCrFeNi, negative for BCC MoNbTaW, and near-zero for HCP CoOsReRu. The total entropies of mixing were observed to trend in descending order: CoCrFeNi > CoOsReRu > MoNbTaW. Calculated lattice parameters agree extremely well with averaged values estimated from the rule of mixtures (ROM) if themore » same crystal structure is used for the elements and the alloy. The deviation in the calculated elastic properties from ROM for select alloys is small but is susceptible to the choice used for the structures of pure components.« less
Structure of naturally hydrated ferrihydrite revealed through neutron diffraction and first-principles modeling

NASA Astrophysics Data System (ADS)

Chappell, Helen F.; Thom, William; Bowron, Daniel T.; Faria, Nuno; Hasnip, Philip J.; Powell, Jonathan J.

2017-08-01

Ferrihydrite, with a ``two-line'' x-ray diffraction pattern (2L-Fh), is the most amorphous of the iron oxides and is ubiquitous in both terrestrial and aquatic environments. It also plays a central role in the regulation and metabolism of iron in bacteria, algae, higher plants, and animals, including humans. In this study, we present a single-phase model for ferrihydrite that unifies existing analytical data while adhering to fundamental chemical principles. The primary particle is small (20-50 Å) and has a dynamic and variably hydrated surface, which negates long-range order; collectively, these features have hampered complete characterization and frustrated our understanding of the mineral's reactivity and chemical/biochemical function. Near and intermediate range neutron diffraction (NIMROD) and first-principles density functional theory (DFT) were employed in this study to generate and interpret high-resolution data of naturally hydrated, synthetic 2L-Fh at standard temperature. The structural optimization overcomes transgressions of coordination chemistry inherent within previously proposed structures, to produce a robust and unambiguous single-phase model.
A Finite-Volume approach for compressible single- and two-phase flows in flexible pipelines with fluid-structure interaction

NASA Astrophysics Data System (ADS)

Daude, F.; Galon, P.

2018-06-01

A Finite-Volume scheme for the numerical computations of compressible single- and two-phase flows in flexible pipelines is proposed based on an approximate Godunov-type approach. The spatial discretization is here obtained using the HLLC scheme. In addition, the numerical treatment of abrupt changes in area and network including several pipelines connected at junctions is also considered. The proposed approach is based on the integral form of the governing equations making it possible to tackle general equations of state. A coupled approach for the resolution of fluid-structure interaction of compressible fluid flowing in flexible pipes is considered. The structural problem is solved using Euler-Bernoulli beam finite elements. The present Finite-Volume method is applied to ideal gas and two-phase steam-water based on the Homogeneous Equilibrium Model (HEM) in conjunction with a tabulated equation of state in order to demonstrate its ability to tackle general equations of state. The extensive application of the scheme for both shock tube and other transient flow problems demonstrates its capability to resolve such problems accurately and robustly. Finally, the proposed 1-D fluid-structure interaction model appears to be computationally efficient.
Hydrogen production through aqueous-phase reforming of ethylene glycol in a washcoated microchannel.

PubMed

D'Angelo, M Fernanda Neira; Ordomsky, Vitaly; Paunovic, Violeta; van der Schaaf, John; Schouten, Jaap C; Nijhuis, T Alexander

2013-09-01

Aqueous-phase reforming (APR) of biocarbohydrates is conducted in a catalytically stable washcoated microreactor where multiphase hydrogen removal enhances hydrogen efficiency. Single microchannel experiments are conducted following a simplified model based on the microreactor concept. A coating method to deposit a Pt-based catalyst on the microchannel walls is selected and optimized. APR reactivity tests are performed by using ethylene glycol as the model compound. Optimum results are achieved with a static washcoating technique; a highly uniform and well adhered 5 μm layer is deposited on the walls of a 320 μm internal diameter (ID) microchannel in one single step. During APR of ethylene glycol, the catalyst layer exhibits high stability over 10 days after limited initial deactivation. The microchannel presents higher conversion and selectivity to hydrogen than a fixed-bed reactor. The benefits of using a microreactor for APR can be further enhanced by utilizing increased Pt loadings, higher reaction temperatures, and larger carbohydrates (e.g., glucose). The use of microtechnology for aqueous-phase reforming will allow for a great reduction in the reformer size, thus rendering it promising for distributed hydrogen production. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Parameterization of single-scattering properties of snow

NASA Astrophysics Data System (ADS)

Räisänen, P.; Kokhanovsky, A.; Guyot, G.; Jourdan, O.; Nousiainen, T.

2015-02-01

Snow consists of non-spherical grains of various shapes and sizes. Still, in many radiative transfer applications, single-scattering properties of snow have been based on the assumption of spherical grains. More recently, second-generation Koch fractals have been employed. While they produce a relatively flat phase function typical of deformed non-spherical particles, this is still a rather ad-hoc choice. Here, angular scattering measurements for blowing snow conducted during the CLimate IMpacts of Short-Lived pollutants In the Polar region (CLIMSLIP) campaign at Ny Ålesund, Svalbard, are used to construct a reference phase function for snow. Based on this phase function, an optimized habit combination (OHC) consisting of severely rough (SR) droxtals, aggregates of SR plates and strongly distorted Koch fractals is selected. The single-scattering properties of snow are then computed for the OHC as a function of wavelength λ and snow grain volume-to-projected area equivalent radius rvp. Parameterization equations are developed for λ = 0.199-2.7 μm and rvp = 10-2000 μm, which express the single-scattering co-albedo β, the asymmetry parameter g and the phase function P11 as functions of the size parameter and the real and imaginary parts of the refractive index. The parameterizations are analytic and simple to use in radiative transfer models. Compared to the reference values computed for the OHC, the accuracy of the parameterization is very high for β and g. This is also true for the phase function parameterization, except for strongly absorbing cases (β > 0.3). Finally, we consider snow albedo and reflected radiances for the suggested snow optics parameterization, making comparisons to spheres and distorted Koch fractals.
Parameterization of single-scattering properties of snow

NASA Astrophysics Data System (ADS)

Räisänen, P.; Kokhanovsky, A.; Guyot, G.; Jourdan, O.; Nousiainen, T.

2015-06-01

Snow consists of non-spherical grains of various shapes and sizes. Still, in many radiative transfer applications, single-scattering properties of snow have been based on the assumption of spherical grains. More recently, second-generation Koch fractals have been employed. While they produce a relatively flat phase function typical of deformed non-spherical particles, this is still a rather ad hoc choice. Here, angular scattering measurements for blowing snow conducted during the CLimate IMpacts of Short-Lived pollutants In the Polar region (CLIMSLIP) campaign at Ny Ålesund, Svalbard, are used to construct a reference phase function for snow. Based on this phase function, an optimized habit combination (OHC) consisting of severely rough (SR) droxtals, aggregates of SR plates and strongly distorted Koch fractals is selected. The single-scattering properties of snow are then computed for the OHC as a function of wavelength λ and snow grain volume-to-projected area equivalent radius rvp. Parameterization equations are developed for λ = 0.199-2.7 μm and rvp = 10-2000 μm, which express the single-scattering co-albedo β, the asymmetry parameter g and the phase function P11 as functions of the size parameter and the real and imaginary parts of the refractive index. The parameterizations are analytic and simple to use in radiative transfer models. Compared to the reference values computed for the OHC, the accuracy of the parameterization is very high for β and g. This is also true for the phase function parameterization, except for strongly absorbing cases (β > 0.3). Finally, we consider snow albedo and reflected radiances for the suggested snow optics parameterization, making comparisons to spheres and distorted Koch fractals.
Regularized lattice Boltzmann model for immiscible two-phase flows with power-law rheology

NASA Astrophysics Data System (ADS)

Ba, Yan; Wang, Ningning; Liu, Haihu; Li, Qiang; He, Guoqiang

2018-03-01

In this work, a regularized lattice Boltzmann color-gradient model is developed for the simulation of immiscible two-phase flows with power-law rheology. This model is as simple as the Bhatnagar-Gross-Krook (BGK) color-gradient model except that an additional regularization step is introduced prior to the collision step. In the regularization step, the pseudo-inverse method is adopted as an alternative solution for the nonequilibrium part of the total distribution function, and it can be easily extended to other discrete velocity models no matter whether a forcing term is considered or not. The obtained expressions for the nonequilibrium part are merely related to macroscopic variables and velocity gradients that can be evaluated locally. Several numerical examples, including the single-phase and two-phase layered power-law fluid flows between two parallel plates, and the droplet deformation and breakup in a simple shear flow, are conducted to test the capability and accuracy of the proposed color-gradient model. Results show that the present model is more stable and accurate than the BGK color-gradient model for power-law fluids with a wide range of power-law indices. Compared to its multiple-relaxation-time counterpart, the present model can increase the computing efficiency by around 15%, while keeping the same accuracy and stability. Also, the present model is found to be capable of reasonably predicting the critical capillary number of droplet breakup.
Evaluation of phase-diversity techniques for solar-image restoration

NASA Technical Reports Server (NTRS)

Paxman, Richard G.; Seldin, John H.; Lofdahl, Mats G.; Scharmer, Goran B.; Keller, Christoph U.

1995-01-01

Phase-diversity techniques provide a novel observational method for overcomming the effects of turbulence and instrument-induced aberrations in ground-based astronomy. Two implementations of phase-diversity techniques that differ with regard to noise model, estimator, optimization algorithm, method of regularization, and treatment of edge effects are described. Reconstructions of solar granulation derived by applying these two implementations to common data sets are shown to yield nearly identical images. For both implementations, reconstructions from phase-diverse speckle data (involving multiple realizations of turbulence) are shown to be superior to those derived from conventional phase-diversity data (involving a single realization). Phase-diverse speckle reconstructions are shown to achieve near diffraction-limited resolution and are validated by internal and external consistency tests, including a comparison with a reconstruction using a well-accepted speckle-imaging method.
Multiple Quantum Phase Transitions in a two-dimensional superconductor

NASA Astrophysics Data System (ADS)

Bergeal, Nicolas; Biscaras, J.; Hurand, S.; Feuillet-Palma, C.; Lesueur, J.; Budhani, R. C.; Rastogi, A.; Caprara, S.; Grilli, M.

2013-03-01

We studied the magnetic field driven Quantum Phase Transition (QPT) in electrostatically gated superconducting LaTiO3/SrTiO3 interfaces. Through finite size scaling analysis, we showed that it belongs to the (2 +1)D XY model universality class. The system can be described as a disordered array of superconducting islands coupled by a two dimensional electron gas (2DEG). Depending on the 2DEG conductance tuned by the gate voltage, the QPT is single (corresponding to the long range phase coherence in the whole array) or double (one related to local phase coherence, the other one to the array). By retrieving the coherence length critical exponent ν, we showed that the QPT can be ``clean'' or ``dirty'' according to the Harris criteria, depending on whether the phase coherence length is smaller or larger than the island size. The overall behaviour is well described by a model of coupled superconducting puddles in the framework of the fermionic scenario of 2D superconducting QPT.
Reversible Phase Transition with Ultralarge Dielectric Relaxation Behaviors in Succinimide Lithium(I) Hybrids.

PubMed

Tang, Yun-Zhi; Wang, Bin; Zhou, Hai-Tao; Chen, Shao-Peng; Tan, Yu-Hui; Wang, Chang-Feng; Yang, Chang-Shan; Wen, He-Rui

2018-02-05

Dielectric relaxations have widely applied on high permittivity capacitors, dielectric switches, ferroelectrics, pyroelectrics, and electrical insulating materials. However, few investigations of large dielectric relaxation behaviors on organic-inorganic hybrid materials have been documented before. Here we present a novel two-dimensional succinimide lithium(I) hybrid compound, [Li(PDD) 2 ClO 4 ] n , 1, (PDD = 2,5-pyrrolidinedione = succinimide) which shows reversible phase transition behavior in the vicinity of 228 K accompanied by an unusual symmetry breaking from I4 1 /amd to C2/c. X-ray single crystal diffractions analysis indicates the twist motion of pyrrolidine heterocycles, and order-disorder motion of ClO 4 - anions triggered the reversible phase transition. By means of an intuitive crystallographic model (rattling ion model), we further illustrated the mechanism of the interesting reversible phase transition. Particularly, 1 shows ultralarge dielectric relaxation behavior in the vicinity of the phase transition by its dielectric constant dependence on temperatures and frequencies as well as its Cole-Cole relation.
Monte Carlo modeling the phase diagram of magnets with the Dzyaloshinskii - Moriya interaction

NASA Astrophysics Data System (ADS)

Belemuk, A. M.; Stishov, S. M.

2017-11-01

We use classical Monte Carlo calculations to model the high-pressure behavior of the phase transition in the helical magnets. We vary values of the exchange interaction constant J and the Dzyaloshinskii-Moriya interaction constant D, which is equivalent to changing spin-spin distances, as occurs in real systems under pressure. The system under study is self-similar at D / J = constant , and its properties are defined by the single variable J / T , where T is temperature. The existence of the first order phase transition critically depends on the ratio D / J . A variation of J strongly affects the phase transition temperature and width of the fluctuation region (the ;hump;) as follows from the system self-similarity. The high-pressure behavior of the spin system depends on the evolution of the interaction constants J and D on compression. Our calculations are relevant to the high pressure phase diagrams of helical magnets MnSi and Cu2OSeO3.
Coherent Backscattering by Particulate Planetary Media of Nonspherical Particles

NASA Astrophysics Data System (ADS)

Muinonen, Karri; Penttila, Antti; Wilkman, Olli; Videen, Gorden

2014-11-01

The so-called radiative-transfer coherent-backscattering method (RT-CB) has been put forward as a practical Monte Carlo method to compute multiple scattering in discrete random media mimicking planetary regoliths (K. Muinonen, Waves in Random Media 14, p. 365, 2004). In RT-CB, the interaction between the discrete scatterers takes place in the far-field approximation and the wave propagation faces exponential extinction. There is a significant constraint in the RT-CB method: it has to be assumed that the form of the scattering matrix is that of the spherical particle. We aim to extend the RT-CB method to nonspherical single particles showing significant depolarization characteristics. First, ensemble-averaged single-scattering albedos and phase matrices of nonspherical particles are matched using a phenomenological radiative-transfer model within a microscopic volume element. Second, the phenomenologial single-particle model is incorporated into the Monte Carlo RT-CB method. In the ray tracing, the electromagnetic phases within the microscopic volume elements are omitted as having negligible lengths, whereas the phases are duly accounted for in the paths between two or more microscopic volume elements. We assess the computational feasibility of the extended RT-CB method and show preliminary results for particulate media mimicking planetary regoliths. The present work can be utilized in the interpretation of astronomical observations of asteroids and other planetary objects. In particular, the work sheds light on the depolarization characteristics of planetary regoliths at small phase angles near opposition. The research has been partially funded by the ERC Advanced Grant No 320773 entitled “Scattering and Absorption of Electromagnetic Waves in Particulate Media” (SAEMPL), by the Academy of Finland (contract 257966), NASA Outer Planets Research Program (contract NNX10AP93G), and NASA Lunar Advanced Science and Exploration Research Program (contract NNX11AB25G).

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