Nanoscale imaging of clinical specimens using pathology-optimized expansion microscopy.

PubMed

Zhao, Yongxin; Bucur, Octavian; Irshad, Humayun; Chen, Fei; Weins, Astrid; Stancu, Andreea L; Oh, Eun-Young; DiStasio, Marcello; Torous, Vanda; Glass, Benjamin; Stillman, Isaac E; Schnitt, Stuart J; Beck, Andrew H; Boyden, Edward S

2017-08-01

Expansion microscopy (ExM), a method for improving the resolution of light microscopy by physically expanding a specimen, has not been applied to clinical tissue samples. Here we report a clinically optimized form of ExM that supports nanoscale imaging of human tissue specimens that have been fixed with formalin, embedded in paraffin, stained with hematoxylin and eosin, and/or fresh frozen. The method, which we call expansion pathology (ExPath), converts clinical samples into an ExM-compatible state, then applies an ExM protocol with protein anchoring and mechanical homogenization steps optimized for clinical samples. ExPath enables ∼70-nm-resolution imaging of diverse biomolecules in intact tissues using conventional diffraction-limited microscopes and standard antibody and fluorescent DNA in situ hybridization reagents. We use ExPath for optical diagnosis of kidney minimal-change disease, a process that previously required electron microscopy, and we demonstrate high-fidelity computational discrimination between early breast neoplastic lesions for which pathologists often disagree in classification. ExPath may enable the routine use of nanoscale imaging in pathology and clinical research.

Topology Optimization for Reducing Additive Manufacturing Processing Distortions

DTIC Science & Technology

2017-12-01

features that curl or warp under thermal load and are subsequently struck by the recoater blade /roller. Support structures act to wick heat away and...was run for 150 iterations. The material properties for all examples were Young’s modulus E = 1 GPa, Poisson’s ratio ν = 0.25, and thermal expansion...the element-birth model is significantly more computationally expensive for a full op- timization run . Consider, the computational complexity of a

Dakota, a multilevel parallel object-oriented framework for design optimization, parameter estimation, uncertainty quantification, and sensitivity analysis :

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

Adams, Brian M.; Ebeida, Mohamed Salah; Eldred, Michael S.

The Dakota (Design Analysis Kit for Optimization and Terascale Applications) toolkit provides a exible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quanti cation with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components requiredmore » for iterative systems analyses, the Dakota toolkit provides a exible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a user's manual for the Dakota software and provides capability overviews and procedures for software execution, as well as a variety of example studies.« less

Electricity market design for generator revenue sufficiency with increased variable generation

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

Levin, Todd; Botterud, Audun

Here, we present a computationally efficient mixed-integer program (MIP) that determines optimal generator expansion decisions, and hourly unit commitment and dispatch in a power system. The impact of increasing wind power capacity on the optimal generation mix and generator profitability is analyzed for a test case that approximates the electricity market in Texas (ERCOT). We analyze three market policies that may support resource adequacy: Operating Reserve Demand Curves (ORDC), Fixed Reserve Scarcity Prices (FRSP) and fixed capacity payments (CP). Optimal expansion plans are comparable between the ORDC and FRSP implementations, while capacity payments may result in additional new capacity. Themore » FRSP policy leads to frequent reserves scarcity events and corresponding price spikes, while the ORDC implementation results in more continuous energy prices. Average energy prices decrease with increasing wind penetration under all policies, as do revenues for baseload and wind generators. Intermediate and peak load plants benefit from higher reserve prices and are less exposed to reduced energy prices. All else equal, an ORDC approach may be preferred to FRSP as it results in similar expansion and revenues with less extreme energy prices. A fixed CP leads to additional new flexible NGCT units, but lower profits for other technologies.« less

Electricity market design for generator revenue sufficiency with increased variable generation

DOE PAGES

Levin, Todd; Botterud, Audun

2015-10-01

Here, we present a computationally efficient mixed-integer program (MIP) that determines optimal generator expansion decisions, and hourly unit commitment and dispatch in a power system. The impact of increasing wind power capacity on the optimal generation mix and generator profitability is analyzed for a test case that approximates the electricity market in Texas (ERCOT). We analyze three market policies that may support resource adequacy: Operating Reserve Demand Curves (ORDC), Fixed Reserve Scarcity Prices (FRSP) and fixed capacity payments (CP). Optimal expansion plans are comparable between the ORDC and FRSP implementations, while capacity payments may result in additional new capacity. Themore » FRSP policy leads to frequent reserves scarcity events and corresponding price spikes, while the ORDC implementation results in more continuous energy prices. Average energy prices decrease with increasing wind penetration under all policies, as do revenues for baseload and wind generators. Intermediate and peak load plants benefit from higher reserve prices and are less exposed to reduced energy prices. All else equal, an ORDC approach may be preferred to FRSP as it results in similar expansion and revenues with less extreme energy prices. A fixed CP leads to additional new flexible NGCT units, but lower profits for other technologies.« less

Computational Science: A Research Methodology for the 21st Century

NASA Astrophysics Data System (ADS)

Orbach, Raymond L.

2004-03-01

Computational simulation - a means of scientific discovery that employs computer systems to simulate a physical system according to laws derived from theory and experiment - has attained peer status with theory and experiment. Important advances in basic science are accomplished by a new "sociology" for ultrascale scientific computing capability (USSCC), a fusion of sustained advances in scientific models, mathematical algorithms, computer architecture, and scientific software engineering. Expansion of current capabilities by factors of 100 - 1000 open up new vistas for scientific discovery: long term climatic variability and change, macroscopic material design from correlated behavior at the nanoscale, design and optimization of magnetic confinement fusion reactors, strong interactions on a computational lattice through quantum chromodynamics, and stellar explosions and element production. The "virtual prototype," made possible by this expansion, can markedly reduce time-to-market for industrial applications such as jet engines and safer, more fuel efficient cleaner cars. In order to develop USSCC, the National Energy Research Scientific Computing Center (NERSC) announced the competition "Innovative and Novel Computational Impact on Theory and Experiment" (INCITE), with no requirement for current DOE sponsorship. Fifty nine proposals for grand challenge scientific problems were submitted for a small number of awards. The successful grants, and their preliminary progress, will be described.

A new surrogate modeling technique combining Kriging and polynomial chaos expansions – Application to uncertainty analysis in computational dosimetry

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

Kersaudy, Pierric, E-mail: pierric.kersaudy@orange.com; Whist Lab, 38 avenue du Général Leclerc, 92130 Issy-les-Moulineaux; ESYCOM, Université Paris-Est Marne-la-Vallée, 5 boulevard Descartes, 77700 Marne-la-Vallée

2015-04-01

In numerical dosimetry, the recent advances in high performance computing led to a strong reduction of the required computational time to assess the specific absorption rate (SAR) characterizing the human exposure to electromagnetic waves. However, this procedure remains time-consuming and a single simulation can request several hours. As a consequence, the influence of uncertain input parameters on the SAR cannot be analyzed using crude Monte Carlo simulation. The solution presented here to perform such an analysis is surrogate modeling. This paper proposes a novel approach to build such a surrogate model from a design of experiments. Considering a sparse representationmore » of the polynomial chaos expansions using least-angle regression as a selection algorithm to retain the most influential polynomials, this paper proposes to use the selected polynomials as regression functions for the universal Kriging model. The leave-one-out cross validation is used to select the optimal number of polynomials in the deterministic part of the Kriging model. The proposed approach, called LARS-Kriging-PC modeling, is applied to three benchmark examples and then to a full-scale metamodeling problem involving the exposure of a numerical fetus model to a femtocell device. The performances of the LARS-Kriging-PC are compared to an ordinary Kriging model and to a classical sparse polynomial chaos expansion. The LARS-Kriging-PC appears to have better performances than the two other approaches. A significant accuracy improvement is observed compared to the ordinary Kriging or to the sparse polynomial chaos depending on the studied case. This approach seems to be an optimal solution between the two other classical approaches. A global sensitivity analysis is finally performed on the LARS-Kriging-PC model of the fetus exposure problem.« less

A novel track-before-detect algorithm based on optimal nonlinear filtering for detecting and tracking infrared dim target

NASA Astrophysics Data System (ADS)

Tian, Yuexin; Gao, Kun; Liu, Ying; Han, Lu

2015-08-01

Aiming at the nonlinear and non-Gaussian features of the real infrared scenes, an optimal nonlinear filtering based algorithm for the infrared dim target tracking-before-detecting application is proposed. It uses the nonlinear theory to construct the state and observation models and uses the spectral separation scheme based Wiener chaos expansion method to resolve the stochastic differential equation of the constructed models. In order to improve computation efficiency, the most time-consuming operations independent of observation data are processed on the fore observation stage. The other observation data related rapid computations are implemented subsequently. Simulation results show that the algorithm possesses excellent detection performance and is more suitable for real-time processing.

Point Charges Optimally Placed to Represent the Multipole Expansion of Charge Distributions

PubMed Central

Onufriev, Alexey V.

2013-01-01

We propose an approach for approximating electrostatic charge distributions with a small number of point charges to optimally represent the original charge distribution. By construction, the proposed optimal point charge approximation (OPCA) retains many of the useful properties of point multipole expansion, including the same far-field asymptotic behavior of the approximate potential. A general framework for numerically computing OPCA, for any given number of approximating charges, is described. We then derive a 2-charge practical point charge approximation, PPCA, which approximates the 2-charge OPCA via closed form analytical expressions, and test the PPCA on a set of charge distributions relevant to biomolecular modeling. We measure the accuracy of the new approximations as the RMS error in the electrostatic potential relative to that produced by the original charge distribution, at a distance the extent of the charge distribution–the mid-field. The error for the 2-charge PPCA is found to be on average 23% smaller than that of optimally placed point dipole approximation, and comparable to that of the point quadrupole approximation. The standard deviation in RMS error for the 2-charge PPCA is 53% lower than that of the optimal point dipole approximation, and comparable to that of the point quadrupole approximation. We also calculate the 3-charge OPCA for representing the gas phase quantum mechanical charge distribution of a water molecule. The electrostatic potential calculated by the 3-charge OPCA for water, in the mid-field (2.8 Å from the oxygen atom), is on average 33.3% more accurate than the potential due to the point multipole expansion up to the octupole order. Compared to a 3 point charge approximation in which the charges are placed on the atom centers, the 3-charge OPCA is seven times more accurate, by RMS error. The maximum error at the oxygen-Na distance (2.23 Å ) is half that of the point multipole expansion up to the octupole order. PMID:23861790

Approximate labeling via graph cuts based on linear programming.

PubMed

Komodakis, Nikos; Tziritas, Georgios

2007-08-01

A new framework is presented for both understanding and developing graph-cut-based combinatorial algorithms suitable for the approximate optimization of a very wide class of Markov Random Fields (MRFs) that are frequently encountered in computer vision. The proposed framework utilizes tools from the duality theory of linear programming in order to provide an alternative and more general view of state-of-the-art techniques like the \\alpha-expansion algorithm, which is included merely as a special case. Moreover, contrary to \\alpha-expansion, the derived algorithms generate solutions with guaranteed optimality properties for a much wider class of problems, for example, even for MRFs with nonmetric potentials. In addition, they are capable of providing per-instance suboptimality bounds in all occasions, including discrete MRFs with an arbitrary potential function. These bounds prove to be very tight in practice (that is, very close to 1), which means that the resulting solutions are almost optimal. Our algorithms' effectiveness is demonstrated by presenting experimental results on a variety of low-level vision tasks, such as stereo matching, image restoration, image completion, and optical flow estimation, as well as on synthetic problems.

Combinatorial and Algorithmic Rigidity: Beyond Two Dimensions

DTIC Science & Technology

2012-12-01

problem. Manuscript, 2010. [35] G. Panina and I. Streinu. Flattening single-vertex origami : the non- expansive case. Computational Geometry : Theory and...in 2008, under the DARPA solicitation “Mathemat- ical Challenges, BAA 07-68”. It addressed Mathematical Challenge Ten: Al- gorithmic Origami and...a number of optimal algorithms and provided critical complexity analysis. The topic of algorithmic origami was successfully engaged from the same

Optimal guidance law development for an advanced launch system

NASA Technical Reports Server (NTRS)

Calise, Anthony J.; Hodges, Dewey H.; Leung, Martin S.; Bless, Robert R.

1991-01-01

The proposed investigation on a Matched Asymptotic Expansion (MAE) method was carried out. It was concluded that the method of MAE is not applicable to launch vehicle ascent trajectory optimization due to a lack of a suitable stretched variable. More work was done on the earlier regular perturbation approach using a piecewise analytic zeroth order solution to generate a more accurate approximation. In the meantime, a singular perturbation approach using manifold theory is also under current investigation. Work on a general computational environment based on the use of MACSYMA and the weak Hamiltonian finite element method continued during this period. This methodology is capable of the solution of a large class of optimal control problems.

Beyond Euler angles: exploiting the angle-axis parametrization in a multipole expansion of the rotation operator.

PubMed

Siemens, Mark; Hancock, Jason; Siminovitch, David

2007-02-01

Euler angles (alpha,beta,gamma) are cumbersome from a computational point of view, and their link to experimental parameters is oblique. The angle-axis {Phi, n} parametrization, especially in the form of quaternions (or Euler-Rodrigues parameters), has served as the most promising alternative, and they have enjoyed considerable success in rf pulse design and optimization. We focus on the benefits of angle-axis parameters by considering a multipole operator expansion of the rotation operator D(Phi, n), and a Clebsch-Gordan expansion of the rotation matrices D(MM')(J)(Phi, n). Each of the coefficients in the Clebsch-Gordan expansion is proportional to the product of a spherical harmonic of the vector n specifying the axis of rotation, Y(lambdamu)(n), with a fixed function of the rotation angle Phi, a Gegenbauer polynomial C(2J-lambda)(lambda+1)(cosPhi/2). Several application examples demonstrate that this Clebsch-Gordan expansion gives easy and direct access to many of the parameters of experimental interest, including coherence order changes (isolated in the Clebsch-Gordan coefficients), and rotation angle (isolated in the Gegenbauer polynomials).

Towards quantifying uncertainty in Greenland's contribution to 21st century sea-level rise

NASA Astrophysics Data System (ADS)

Perego, M.; Tezaur, I.; Price, S. F.; Jakeman, J.; Eldred, M.; Salinger, A.; Hoffman, M. J.

2015-12-01

We present recent work towards developing a methodology for quantifying uncertainty in Greenland's 21st century contribution to sea-level rise. While we focus on uncertainties associated with the optimization and calibration of the basal sliding parameter field, the methodology is largely generic and could be applied to other (or multiple) sets of uncertain model parameter fields. The first step in the workflow is the solution of a large-scale, deterministic inverse problem, which minimizes the mismatch between observed and computed surface velocities by optimizing the two-dimensional coefficient field in a linear-friction sliding law. We then expand the deviation in this coefficient field from its estimated "mean" state using a reduced basis of Karhunen-Loeve Expansion (KLE) vectors. A Bayesian calibration is used to determine the optimal coefficient values for this expansion. The prior for the Bayesian calibration can be computed using the Hessian of the deterministic inversion or using an exponential covariance kernel. The posterior distribution is then obtained using Markov Chain Monte Carlo run on an emulator of the forward model. Finally, the uncertainty in the modeled sea-level rise is obtained by performing an ensemble of forward propagation runs. We present and discuss preliminary results obtained using a moderate-resolution model of the Greenland Ice sheet. As demonstrated in previous work, the primary difficulty in applying the complete workflow to realistic, high-resolution problems is that the effective dimension of the parameter space is very large.

An improved method for design of expansion-chamber mufflers with application to an operational helicopter

NASA Technical Reports Server (NTRS)

Parrott, T. L.

1973-01-01

An improved method for the design of expansion-chamber mufflers is described and applied to the task of reducing exhaust noise generated by a helicopter. The method is an improvement of standard transmission-line theory in that it accounts for the effect of the mean exhaust-gas flow on the acoustic-transmission properties of a muffler system, including the termination boundary condition. The method has been computerized, and the computer program includes an optimization procedure that adjusts muffler component lengths to achieve a minimum specified desired transmission loss over a specified frequency range. A printout of the program is included together with a user-oriented description.

Computational Methods for Aerodynamic Design (Inverse) and Optimization

DTIC Science & Technology

1990-01-01

rroducing lift. The upper surface is cylindrical in undisturbed flow or produces addi- tional lift by utllIzlnf, an also known Prandll-Meyer expansion...rotationally symmetric and the core jet is simulated by a cylindrical body. The total number of grid points is around 56000. Although characteristic...to determine if the design option could reproduce this geometry starting from an ogive- cylindrical body, figures 6 and 10. The two configurations

A nonlinear optimal control approach for chaotic finance dynamics

NASA Astrophysics Data System (ADS)

Rigatos, G.; Siano, P.; Loia, V.; Tommasetti, A.; Troisi, O.

2017-11-01

A new nonlinear optimal control approach is proposed for stabilization of the dynamics of a chaotic finance model. The dynamic model of the financial system, which expresses interaction between the interest rate, the investment demand, the price exponent and the profit margin, undergoes approximate linearization round local operating points. These local equilibria are defined at each iteration of the control algorithm and consist of the present value of the systems state vector and the last value of the control inputs vector that was exerted on it. The approximate linearization makes use of Taylor series expansion and of the computation of the associated Jacobian matrices. The truncation of higher order terms in the Taylor series expansion is considered to be a modelling error that is compensated by the robustness of the control loop. As the control algorithm runs, the temporary equilibrium is shifted towards the reference trajectory and finally converges to it. The control method needs to compute an H-infinity feedback control law at each iteration, and requires the repetitive solution of an algebraic Riccati equation. Through Lyapunov stability analysis it is shown that an H-infinity tracking performance criterion holds for the control loop. This implies elevated robustness against model approximations and external perturbations. Moreover, under moderate conditions the global asymptotic stability of the control loop is proven.

Stabilization of business cycles of finance agents using nonlinear optimal control

NASA Astrophysics Data System (ADS)

Rigatos, G.; Siano, P.; Ghosh, T.; Sarno, D.

2017-11-01

Stabilization of the business cycles of interconnected finance agents is performed with the use of a new nonlinear optimal control method. First, the dynamics of the interacting finance agents and of the associated business cycles is described by a modeled of coupled nonlinear oscillators. Next, this dynamic model undergoes approximate linearization round a temporary operating point which is defined by the present value of the system's state vector and the last value of the control inputs vector that was exerted on it. The linearization procedure is based on Taylor series expansion of the dynamic model and on the computation of Jacobian matrices. The modelling error, which is due to the truncation of higher-order terms in the Taylor series expansion is considered as a disturbance which is compensated by the robustness of the control loop. Next, for the linearized model of the interacting finance agents, an H-infinity feedback controller is designed. The computation of the feedback control gain requires the solution of an algebraic Riccati equation at each iteration of the control algorithm. Through Lyapunov stability analysis it is proven that the control scheme satisfies an H-infinity tracking performance criterion, which signifies elevated robustness against modelling uncertainty and external perturbations. Moreover, under moderate conditions the global asymptotic stability features of the control loop are proven.

Biomechanical effects of maxillary expansion on a patient with cleft palate: A finite element analysis

PubMed Central

Lee, Haofu; Nguyen, Alan; Hong, Christine; Hoang, Paul; Pham, John; Ting, Kang

2017-01-01

Introduction The aims of this study were to evaluate the effects of rapid palatal expansion on the craniofacial skeleton of a patient with unilateral cleft lip and palate (UCLP) and to predict the points of force application for optimal expansion using a 3-dimensional finite element model. Methods A 3-dimensional finite element model of the craniofacial complex with UCLP was generated from spiral computed tomographic scans with imaging software (Mimics, version 13.1; Materialise, Leuven, Belgium). This model was imported into the finite element solver (version 12.0; ANSYS, Canonsburg, Pa) to evaluate transverse expansion forces from rapid palatal expansion. Finite element analysis was performed with transverse expansion to achieve 5 mm of anterolateral expansion of the collapsed minor segment to simulate correction of the anterior crossbite in a patient with UCLP. Results High-stress concentrations were observed at the body of the sphenoid, medial to the orbit, and at the inferior area of the zygomatic process of the maxilla. The craniofacial stress distribution was asymmetric, with higher stress levels on the cleft side. When forces were applied more anteriorly on the collapsed minor segment and more posteriorly on the major segment, there was greater expansion of the anterior region of the minor segment with minimal expansion of the major segment. Conclusions The transverse expansion forces from rapid palatal expansion are distributed to the 3 maxillary buttresses. Finite element analysis is an appropriate tool to study and predict the points of force application for better controlled expansion in patients with UCLP. PMID:27476365

Biomechanical effects of maxillary expansion on a patient with cleft palate: A finite element analysis.

PubMed

Lee, Haofu; Nguyen, Alan; Hong, Christine; Hoang, Paul; Pham, John; Ting, Kang

2016-08-01

The aims of this study were to evaluate the effects of rapid palatal expansion on the craniofacial skeleton of a patient with unilateral cleft lip and palate (UCLP) and to predict the points of force application for optimal expansion using a 3-dimensional finite element model. A 3-dimensional finite element model of the craniofacial complex with UCLP was generated from spiral computed tomographic scans with imaging software (Mimics, version 13.1; Materialise, Leuven, Belgium). This model was imported into the finite element solver (version 12.0; ANSYS, Canonsburg, Pa) to evaluate transverse expansion forces from rapid palatal expansion. Finite element analysis was performed with transverse expansion to achieve 5 mm of anterolateral expansion of the collapsed minor segment to simulate correction of the anterior crossbite in a patient with UCLP. High-stress concentrations were observed at the body of the sphenoid, medial to the orbit, and at the inferior area of the zygomatic process of the maxilla. The craniofacial stress distribution was asymmetric, with higher stress levels on the cleft side. When forces were applied more anteriorly on the collapsed minor segment and more posteriorly on the major segment, there was greater expansion of the anterior region of the minor segment with minimal expansion of the major segment. The transverse expansion forces from rapid palatal expansion are distributed to the 3 maxillary buttresses. Finite element analysis is an appropriate tool to study and predict the points of force application for better controlled expansion in patients with UCLP. Copyright © 2016 American Association of Orthodontists. Published by Elsevier Inc. All rights reserved.

Degree of bioresorbable vascular scaffold expansion modulates loss of essential function.

PubMed

Ferdous, Jahid; Kolachalama, Vijaya B; Kolandaivelu, Kumaran; Shazly, Tarek

2015-10-01

Drug-eluting bioresorbable vascular scaffolds (BVSs) have the potential to restore lumen patency, enable recovery of the native vascular environment, and circumvent late complications associated with permanent endovascular devices. To ensure therapeutic effects persist for sufficient times prior to scaffold resorption and resultant functional loss, many factors dictating BVS performance must be identified, characterized and optimized. While some factors relate to BVS design and manufacturing, others depend on device deployment and intrinsic vascular properties. Importantly, these factors interact and cannot be considered in isolation. The objective of this study is to quantify the extent to which degree of radial expansion modulates BVS performance, specifically in the context of modifying device erosion kinetics and evolution of structural mechanics and local drug elution. We systematically varied degree of radial expansion in model BVS constructs composed of poly dl-lactide-glycolide and generated in vitro metrics of device microstructure, degradation, erosion, mechanics and drug release. Experimental data permitted development of computational models that predicted transient concentrations of scaffold-derived soluble species and drug in the arterial wall, thus enabling speculation on the short- and long-term effects of differential expansion. We demonstrate that degree of expansion significantly affects scaffold properties critical to functionality, underscoring its relevance in BVS design and optimization. Bioresorbable vascular scaffold (BVS) therapy is beginning to transform the treatment of obstructive artery disease, owing to effective treatment of short term vessel closure while avoiding long term consequences such as in situ, late stent thrombosis - a fatal event associated with permanent implants such as drug-eluting stents. As device scaffolding and drug elution are temporary for BVS, the notion of using this therapy in lieu of existing, clinically approved devices seems attractive. However, there is still a limited understanding regarding the optimal lifetime and performance characteristics of erodible endovascular implants. Several engineering criteria must be met and clinical endpoints confirmed to ensure these devices are both safe and effective. In this manuscript, we sought to establish general principles for the design and deployment of erodible, drug-eluting endovascular scaffolds, with focus on how differential expansion can modulate device performance. Copyright © 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Dakota, a multilevel parallel object-oriented framework for design optimization, parameter estimation, uncertainty quantification, and sensitivity analysis version 6.0 theory manual

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

Adams, Brian M.; Ebeida, Mohamed Salah; Eldred, Michael S

The Dakota (Design Analysis Kit for Optimization and Terascale Applications) toolkit provides a exible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quanti cation with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components requiredmore » for iterative systems analyses, the Dakota toolkit provides a exible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a theoretical manual for selected algorithms implemented within the Dakota software. It is not intended as a comprehensive theoretical treatment, since a number of existing texts cover general optimization theory, statistical analysis, and other introductory topics. Rather, this manual is intended to summarize a set of Dakota-related research publications in the areas of surrogate-based optimization, uncertainty quanti cation, and optimization under uncertainty that provide the foundation for many of Dakota's iterative analysis capabilities.« less

Optimization of binary thermodynamic and phase diagram data

NASA Astrophysics Data System (ADS)

Bale, Christopher W.; Pelton, A. D.

1983-03-01

An optimization technique based upon least squares regression is presented to permit the simultaneous analysis of diverse experimental binary thermodynamic and phase diagram data. Coefficients of polynomial expansions for the enthalpy and excess entropy of binary solutions are obtained which can subsequently be used to calculate the thermodynamic properties or the phase diagram. In an interactive computer-assisted analysis employing this technique, one can critically analyze a large number of diverse data in a binary system rapidly, in a manner which is fully self-consistent thermodynamically. Examples of applications to the Bi-Zn, Cd-Pb, PbCl2-KCl, LiCl-FeCl2, and Au-Ni binary systems are given.

Voigt equivalent widths and spectral-bin single-line transmittances: Exact expansions and the MODTRAN®5 implementation

NASA Astrophysics Data System (ADS)

Berk, Alexander

2013-03-01

Exact expansions for Voigt line-shape total, line-tail and spectral bin equivalent widths and for Voigt finite spectral bin single-line transmittances have been derived in terms of optical depth dependent exponentially-scaled modified Bessel functions of integer order and optical depth independent Fourier integral coefficients. The series are convergent for the full range of Voigt line-shapes, from pure Doppler to pure Lorentzian. In the Lorentz limit, the expansion reduces to the Ladenburg and Reiche function for the total equivalent width. Analytic expressions are derived for the first 8 Fourier coefficients for pure Lorentzian lines, for pure Doppler lines and for Voigt lines with at most moderate Doppler dependence. A strong-line limit sum rule on the Fourier coefficients is enforced to define an additional Fourier coefficient and to optimize convergence of the truncated expansion. The moderate Doppler dependence scenario is applicable to and has been implemented in the MODTRAN5 atmospheric band model radiative transfer software. Finite-bin transmittances computed with the truncated expansions reduce transmittance residuals compared to the former Rodgers-Williams equivalent width based approach by ∼2 orders of magnitude.

Golden Ratio Genetic Algorithm Based Approach for Modelling and Analysis of the Capacity Expansion of Urban Road Traffic Network

PubMed Central

Zhang, Lun; Zhang, Meng; Yang, Wenchen; Dong, Decun

2015-01-01

This paper presents the modelling and analysis of the capacity expansion of urban road traffic network (ICURTN). Thebilevel programming model is first employed to model the ICURTN, in which the utility of the entire network is maximized with the optimal utility of travelers' route choice. Then, an improved hybrid genetic algorithm integrated with golden ratio (HGAGR) is developed to enhance the local search of simple genetic algorithms, and the proposed capacity expansion model is solved by the combination of the HGAGR and the Frank-Wolfe algorithm. Taking the traditional one-way network and bidirectional network as the study case, three numerical calculations are conducted to validate the presented model and algorithm, and the primary influencing factors on extended capacity model are analyzed. The calculation results indicate that capacity expansion of road network is an effective measure to enlarge the capacity of urban road network, especially on the condition of limited construction budget; the average computation time of the HGAGR is 122 seconds, which meets the real-time demand in the evaluation of the road network capacity. PMID:25802512

Revision and Expansion of Navy Computer Adaptive Personality Scales (NCAPS)

DTIC Science & Technology

2007-08-01

Nav Pesne Reerh Stde, an Technolg y Dii sio Revision and Expansion of Navy Computer Adaptive Personality Scales ( NCAPS ) Robert J. Schneider, Ph.D...TN-o7-12 August 2007 Revision and Expansion of Navy Computer Adaptive Personality Scales ( NCAPS ) Robert J. Schneider, Ph.D. Kerri L. Ferstl, Ph.D...03/31/2006 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER Revision and Expansion of Navy Computer Adaptive Personality Scales ( NCAPS ) 5b. GRANT NUMBER 5c

Optimal variable-grid finite-difference modeling for porous media

NASA Astrophysics Data System (ADS)

Liu, Xinxin; Yin, Xingyao; Li, Haishan

2014-12-01

Numerical modeling of poroelastic waves by the finite-difference (FD) method is more expensive than that of acoustic or elastic waves. To improve the accuracy and computational efficiency of seismic modeling, variable-grid FD methods have been developed. In this paper, we derived optimal staggered-grid finite difference schemes with variable grid-spacing and time-step for seismic modeling in porous media. FD operators with small grid-spacing and time-step are adopted for low-velocity or small-scale geological bodies, while FD operators with big grid-spacing and time-step are adopted for high-velocity or large-scale regions. The dispersion relations of FD schemes were derived based on the plane wave theory, then the FD coefficients were obtained using the Taylor expansion. Dispersion analysis and modeling results demonstrated that the proposed method has higher accuracy with lower computational cost for poroelastic wave simulation in heterogeneous reservoirs.

An Information-theoretic Approach to Optimize JWST Observations and Retrievals of Transiting Exoplanet Atmospheres

NASA Astrophysics Data System (ADS)

Howe, Alex R.; Burrows, Adam; Deming, Drake

2017-01-01

We provide an example of an analysis to explore the optimization of observations of transiting hot Jupiters with the James Webb Space Telescope (JWST) to characterize their atmospheres based on a simple three-parameter forward model. We construct expansive forward model sets for 11 hot Jupiters, 10 of which are relatively well characterized, exploring a range of parameters such as equilibrium temperature and metallicity, as well as considering host stars over a wide range in brightness. We compute posterior distributions of our model parameters for each planet with all of the available JWST spectroscopic modes and several programs of combined observations and compute their effectiveness using the metric of estimated mutual information per degree of freedom. From these simulations, clear trends emerge that provide guidelines for designing a JWST observing program. We demonstrate that these guidelines apply over a wide range of planet parameters and target brightnesses for our simple forward model.

Calculating three loop ladder and V-topologies for massive operator matrix elements by computer algebra

NASA Astrophysics Data System (ADS)

Ablinger, J.; Behring, A.; Blümlein, J.; De Freitas, A.; von Manteuffel, A.; Schneider, C.

2016-05-01

Three loop ladder and V-topology diagrams contributing to the massive operator matrix element AQg are calculated. The corresponding objects can all be expressed in terms of nested sums and recurrences depending on the Mellin variable N and the dimensional parameter ε. Given these representations, the desired Laurent series expansions in ε can be obtained with the help of our computer algebra toolbox. Here we rely on generalized hypergeometric functions and Mellin-Barnes representations, on difference ring algorithms for symbolic summation, on an optimized version of the multivariate Almkvist-Zeilberger algorithm for symbolic integration, and on new methods to calculate Laurent series solutions of coupled systems of differential equations. The solutions can be computed for general coefficient matrices directly for any basis also performing the expansion in the dimensional parameter in case it is expressible in terms of indefinite nested product-sum expressions. This structural result is based on new results of our difference ring theory. In the cases discussed we deal with iterative sum- and integral-solutions over general alphabets. The final results are expressed in terms of special sums, forming quasi-shuffle algebras, such as nested harmonic sums, generalized harmonic sums, and nested binomially weighted (cyclotomic) sums. Analytic continuations to complex values of N are possible through the recursion relations obeyed by these quantities and their analytic asymptotic expansions. The latter lead to a host of new constants beyond the multiple zeta values, the infinite generalized harmonic and cyclotomic sums in the case of V-topologies.

Reduction of shock induced noise in imperfectly expanded supersonic jets using convex optimization

NASA Astrophysics Data System (ADS)

Adhikari, Sam

2007-11-01

Imperfectly expanded jets generate screech noise. The imbalance between the backpressure and the exit pressure of the imperfectly expanded jets produce shock cells and expansion or compression waves from the nozzle. The instability waves and the shock cells interact to generate the screech sound. The mathematical model consists of cylindrical coordinate based full Navier-Stokes equations and large-eddy-simulation turbulence modeling. Analytical and computational analysis of the three-dimensional helical effects provide a model that relates several parameters with shock cell patterns, screech frequency and distribution of shock generation locations. Convex optimization techniques minimize the shock cell patterns and the instability waves. The objective functions are (convex) quadratic and the constraint functions are affine. In the quadratic optimization programs, minimization of the quadratic functions over a set of polyhedrons provides the optimal result. Various industry standard methods like regression analysis, distance between polyhedra, bounding variance, Markowitz optimization, and second order cone programming is used for Quadratic Optimization.

Deterministic absorbed dose estimation in computed tomography using a discrete ordinates method

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

Norris, Edward T.; Liu, Xin, E-mail: xinliu@mst.edu; Hsieh, Jiang

Purpose: Organ dose estimation for a patient undergoing computed tomography (CT) scanning is very important. Although Monte Carlo methods are considered gold-standard in patient dose estimation, the computation time required is formidable for routine clinical calculations. Here, the authors instigate a deterministic method for estimating an absorbed dose more efficiently. Methods: Compared with current Monte Carlo methods, a more efficient approach to estimating the absorbed dose is to solve the linear Boltzmann equation numerically. In this study, an axial CT scan was modeled with a software package, Denovo, which solved the linear Boltzmann equation using the discrete ordinates method. Themore » CT scanning configuration included 16 x-ray source positions, beam collimators, flat filters, and bowtie filters. The phantom was the standard 32 cm CT dose index (CTDI) phantom. Four different Denovo simulations were performed with different simulation parameters, including the number of quadrature sets and the order of Legendre polynomial expansions. A Monte Carlo simulation was also performed for benchmarking the Denovo simulations. A quantitative comparison was made of the simulation results obtained by the Denovo and the Monte Carlo methods. Results: The difference in the simulation results of the discrete ordinates method and those of the Monte Carlo methods was found to be small, with a root-mean-square difference of around 2.4%. It was found that the discrete ordinates method, with a higher order of Legendre polynomial expansions, underestimated the absorbed dose near the center of the phantom (i.e., low dose region). Simulations of the quadrature set 8 and the first order of the Legendre polynomial expansions proved to be the most efficient computation method in the authors’ study. The single-thread computation time of the deterministic simulation of the quadrature set 8 and the first order of the Legendre polynomial expansions was 21 min on a personal computer. Conclusions: The simulation results showed that the deterministic method can be effectively used to estimate the absorbed dose in a CTDI phantom. The accuracy of the discrete ordinates method was close to that of a Monte Carlo simulation, and the primary benefit of the discrete ordinates method lies in its rapid computation speed. It is expected that further optimization of this method in routine clinical CT dose estimation will improve its accuracy and speed.« less

Topology optimization under stochastic stiffness

NASA Astrophysics Data System (ADS)

Asadpoure, Alireza

Topology optimization is a systematic computational tool for optimizing the layout of materials within a domain for engineering design problems. It allows variation of structural boundaries and connectivities. This freedom in the design space often enables discovery of new, high performance designs. However, solutions obtained by performing the optimization in a deterministic setting may be impractical or suboptimal when considering real-world engineering conditions with inherent variabilities including (for example) variabilities in fabrication processes and operating conditions. The aim of this work is to provide a computational methodology for topology optimization in the presence of uncertainties associated with structural stiffness, such as uncertain material properties and/or structural geometry. Existing methods for topology optimization under deterministic conditions are first reviewed. Modifications are then proposed to improve the numerical performance of the so-called Heaviside Projection Method (HPM) in continuum domains. Next, two approaches, perturbation and Polynomial Chaos Expansion (PCE), are proposed to account for uncertainties in the optimization procedure. These approaches are intrusive, allowing tight and efficient coupling of the uncertainty quantification with the optimization sensitivity analysis. The work herein develops a robust topology optimization framework aimed at reducing the sensitivity of optimized solutions to uncertainties. The perturbation-based approach combines deterministic topology optimization with a perturbation method for the quantification of uncertainties. The use of perturbation transforms the problem of topology optimization under uncertainty to an augmented deterministic topology optimization problem. The PCE approach combines the spectral stochastic approach for the representation and propagation of uncertainties with an existing deterministic topology optimization technique. The resulting compact representations for the response quantities allow for efficient and accurate calculation of sensitivities of response statistics with respect to the design variables. The proposed methods are shown to be successful at generating robust optimal topologies. Examples from topology optimization in continuum and discrete domains (truss structures) under uncertainty are presented. It is also shown that proposed methods lead to significant computational savings when compared to Monte Carlo-based optimization which involve multiple formations and inversions of the global stiffness matrix and that results obtained from the proposed method are in excellent agreement with those obtained from a Monte Carlo-based optimization algorithm.

More efficient optimization of long-term water supply portfolios

NASA Astrophysics Data System (ADS)

Kirsch, Brian R.; Characklis, Gregory W.; Dillard, Karen E. M.; Kelley, C. T.

2009-03-01

The use of temporary transfers, such as options and leases, has grown as utilities attempt to meet increases in demand while reducing dependence on the expansion of costly infrastructure capacity (e.g., reservoirs). Earlier work has been done to construct optimal portfolios comprising firm capacity and transfers, using decision rules that determine the timing and volume of transfers. However, such work has only focused on the short-term (e.g., 1-year scenarios), which limits the utility of these planning efforts. Developing multiyear portfolios can lead to the exploration of a wider range of alternatives but also increases the computational burden. This work utilizes a coupled hydrologic-economic model to simulate the long-term performance of a city's water supply portfolio. This stochastic model is linked with an optimization search algorithm that is designed to handle the high-frequency, low-amplitude noise inherent in many simulations, particularly those involving expected values. This noise is detrimental to the accuracy and precision of the optimized solution and has traditionally been controlled by investing greater computational effort in the simulation. However, the increased computational effort can be substantial. This work describes the integration of a variance reduction technique (control variate method) within the simulation/optimization as a means of more efficiently identifying minimum cost portfolios. Random variation in model output (i.e., noise) is moderated using knowledge of random variations in stochastic input variables (e.g., reservoir inflows, demand), thereby reducing the computing time by 50% or more. Using these efficiency gains, water supply portfolios are evaluated over a 10-year period in order to assess their ability to reduce costs and adapt to demand growth, while still meeting reliability goals. As a part of the evaluation, several multiyear option contract structures are explored and compared.

Venous phase of computed tomography angiography increases spot sign detection, but intracerebral hemorrhage expansion is greater in spot signs detected in arterial phase.

PubMed

Rodriguez-Luna, David; Dowlatshahi, Dar; Aviv, Richard I; Molina, Carlos A; Silva, Yolanda; Dzialowski, Imanuel; Lum, Cheemun; Czlonkowska, Anna; Boulanger, Jean-Martin; Kase, Carlos S; Gubitz, Gord; Bhatia, Rohit; Padma, Vasantha; Roy, Jayanta; Stewart, Teri; Huynh, Thien J; Hill, Michael D; Demchuk, Andrew M

2014-03-01

Variability in computed tomography angiography (CTA) acquisitions may be one explanation for the modest accuracy of the spot sign for predicting intracerebral hemorrhage expansion detected in the multicenter Predicting Hematoma Growth and Outcome in Intracerebral Hemorrhage Using Contrast Bolus CT (PREDICT) study. This study aimed to determine the frequency of the spot sign in intracerebral hemorrhage and its relationship with hematoma expansion depending on the phase of image acquisition. PREDICT study was a prospective observational cohort study of patients with intracerebral hemorrhage presenting within 6 hours from onset. A post hoc analysis of the Hounsfield units of an artery and venous structure were measured on CTA source images of the entire PREDICT cohort in a core laboratory. Each CTA study was classified into arterial or venous phase and into 1 of 5 specific image acquisition phases. Significant hematoma expansion and total hematoma enlargement were recorded at 24 hours. Overall (n=371), 77.9% of CTA were acquired in arterial phase. The spot sign, present in 29.9% of patients, was more frequently seen in venous phase as compared with arterial phase (39% versus 27.3%; P=0.041) and the later the phase of image acquisition (P=0.095). Significant hematoma expansion (P=0.253) and higher total hematoma enlargement (P=0.019) were observed more frequently among spot sign-positive patients with earlier phases of image acquisition. Later image acquisition of CTA improves the frequency of spot sign detection. However, spot signs identified in earlier phases may be associated with greater absolute enlargement. A multiphase CTA including arterial and venous acquisitions could be optimal in patients with intracerebral hemorrhage.

High capacity reversible watermarking for audio by histogram shifting and predicted error expansion.

PubMed

Wang, Fei; Xie, Zhaoxin; Chen, Zuo

2014-01-01

Being reversible, the watermarking information embedded in audio signals can be extracted while the original audio data can achieve lossless recovery. Currently, the few reversible audio watermarking algorithms are confronted with following problems: relatively low SNR (signal-to-noise) of embedded audio; a large amount of auxiliary embedded location information; and the absence of accurate capacity control capability. In this paper, we present a novel reversible audio watermarking scheme based on improved prediction error expansion and histogram shifting. First, we use differential evolution algorithm to optimize prediction coefficients and then apply prediction error expansion to output stego data. Second, in order to reduce location map bits length, we introduced histogram shifting scheme. Meanwhile, the prediction error modification threshold according to a given embedding capacity can be computed by our proposed scheme. Experiments show that this algorithm improves the SNR of embedded audio signals and embedding capacity, drastically reduces location map bits length, and enhances capacity control capability.

An improved numerical procedure for the parametric optimization of three dimensional scramjet nozzles. [supersonic combustion ramjet engines - computer programs

NASA Technical Reports Server (NTRS)

Dash, S.; Delguidice, P. D.

1975-01-01

A parametric numerical procedure permitting the rapid determination of the performance of a class of scramjet nozzle configurations is presented. The geometric complexity of these configurations ruled out attempts to employ conventional nozzle design procedures. The numerical program developed permitted the parametric variation of cowl length, turning angles on the cowl and vehicle undersurface and lateral expansion, and was subject to fixed constraints such as the vehicle length and nozzle exit height. The program required uniform initial conditions at the burner exit station and yielded the location of all predominant wave zones, accounting for lateral expansion effects. In addition, the program yielded the detailed pressure distribution on the cowl, vehicle undersurface and fences, if any, and calculated the nozzle thrust, lift and pitching moments.

Optimizing reserve expansion for disjunct populations of San Joaquin kit fox

Treesearch

Robert G. Haight; Brian Cypher; Patrick A. Kelly; Scott Phillips; Katherine Ralls; Hugh P. Possingham

2004-01-01

Expanding habitat protection is a common strategy for species conservation. We present a model to optimize the expansion of reserves for disjunct populations of an endangered species. The objective is to maximize the expected number of surviving populations subject to budget and habitat constraints. The model accounts for benefits of reserve expansion in terms of...

Optimized nonorthogonal transforms for image compression.

PubMed

Guleryuz, O G; Orchard, M T

1997-01-01

The transform coding of images is analyzed from a common standpoint in order to generate a framework for the design of optimal transforms. It is argued that all transform coders are alike in the way they manipulate the data structure formed by transform coefficients. A general energy compaction measure is proposed to generate optimized transforms with desirable characteristics particularly suited to the simple transform coding operation of scalar quantization and entropy coding. It is shown that the optimal linear decoder (inverse transform) must be an optimal linear estimator, independent of the structure of the transform generating the coefficients. A formulation that sequentially optimizes the transforms is presented, and design equations and algorithms for its computation provided. The properties of the resulting transform systems are investigated. In particular, it is shown that the resulting basis are nonorthogonal and complete, producing energy compaction optimized, decorrelated transform coefficients. Quantization issues related to nonorthogonal expansion coefficients are addressed with a simple, efficient algorithm. Two implementations are discussed, and image coding examples are given. It is shown that the proposed design framework results in systems with superior energy compaction properties and excellent coding results.

Second-order shaped pulsed for solid-state quantum computation

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

Sengupta, Pinaki

2008-01-01

We present the construction and detailed analysis of highly optimized self-refocusing pulse shapes for several rotation angles. We characterize the constructed pulses by the coefficients appearing in the Magnus expansion up to second order. This allows a semianalytical analysis of the performance of the constructed shapes in sequences and composite pulses by computing the corresponding leading-order error operators. Higher orders can be analyzed with the numerical technique suggested by us previously. We illustrate the technique by analyzing several composite pulses designed to protect against pulse amplitude errors, and on decoupling sequences for potentially long chains of qubits with on-site andmore » nearest-neighbor couplings.« less

Reliability-based trajectory optimization using nonintrusive polynomial chaos for Mars entry mission

NASA Astrophysics Data System (ADS)

Huang, Yuechen; Li, Haiyang

2018-06-01

This paper presents the reliability-based sequential optimization (RBSO) method to settle the trajectory optimization problem with parametric uncertainties in entry dynamics for Mars entry mission. First, the deterministic entry trajectory optimization model is reviewed, and then the reliability-based optimization model is formulated. In addition, the modified sequential optimization method, in which the nonintrusive polynomial chaos expansion (PCE) method and the most probable point (MPP) searching method are employed, is proposed to solve the reliability-based optimization problem efficiently. The nonintrusive PCE method contributes to the transformation between the stochastic optimization (SO) and the deterministic optimization (DO) and to the approximation of trajectory solution efficiently. The MPP method, which is used for assessing the reliability of constraints satisfaction only up to the necessary level, is employed to further improve the computational efficiency. The cycle including SO, reliability assessment and constraints update is repeated in the RBSO until the reliability requirements of constraints satisfaction are satisfied. Finally, the RBSO is compared with the traditional DO and the traditional sequential optimization based on Monte Carlo (MC) simulation in a specific Mars entry mission to demonstrate the effectiveness and the efficiency of the proposed method.

Utilizing multiple state variables to improve the dynamic range of analog switching in a memristor

NASA Astrophysics Data System (ADS)

Jeong, YeonJoo; Kim, Sungho; Lu, Wei D.

2015-10-01

Memristors and memristive systems have been extensively studied for data storage and computing applications such as neuromorphic systems. To act as synapses in neuromorphic systems, the memristor needs to exhibit analog resistive switching (RS) behavior with incremental conductance change. In this study, we show that the dynamic range of the analog RS behavior can be significantly enhanced in a tantalum-oxide-based memristor. By controlling different state variables enabled by different physical effects during the RS process, the gradual filament expansion stage can be selectively enhanced without strongly affecting the abrupt filament length growth stage. Detailed physics-based modeling further verified the observed experimental effects and revealed the roles of oxygen vacancy drift and diffusion processes, and how the diffusion process can be selectively enhanced during the filament expansion stage. These findings lead to more desirable and reliable memristor behaviors for analog computing applications. Additionally, the ability to selectively control different internal physical processes demonstrated in the current study provides guidance for continued device optimization of memristor devices in general.

NEW DEVELOPMENTS ON INVERSE POLYGON MAPPING TO CALCULATE GRAVITATIONAL LENSING MAGNIFICATION MAPS: OPTIMIZED COMPUTATIONS

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

Mediavilla, E.; Lopez, P.; Mediavilla, T.

2011-11-01

We derive an exact solution (in the form of a series expansion) to compute gravitational lensing magnification maps. It is based on the backward gravitational lens mapping of a partition of the image plane in polygonal cells (inverse polygon mapping, IPM), not including critical points (except perhaps at the cell boundaries). The zeroth-order term of the series expansion leads to the method described by Mediavilla et al. The first-order term is used to study the error induced by the truncation of the series at zeroth order, explaining the high accuracy of the IPM even at this low order of approximation.more » Interpreting the Inverse Ray Shooting (IRS) method in terms of IPM, we explain the previously reported N {sup -3/4} dependence of the IRS error with the number of collected rays per pixel. Cells intersected by critical curves (critical cells) transform to non-simply connected regions with topological pathologies like auto-overlapping or non-preservation of the boundary under the transformation. To define a non-critical partition, we use a linear approximation of the critical curve to divide each critical cell into two non-critical subcells. The optimal choice of the cell size depends basically on the curvature of the critical curves. For typical applications in which the pixel of the magnification map is a small fraction of the Einstein radius, a one-to-one relationship between the cell and pixel sizes in the absence of lensing guarantees both the consistence of the method and a very high accuracy. This prescription is simple but very conservative. We show that substantially larger cells can be used to obtain magnification maps with huge savings in computation time.« less

Convergence of Legendre Expansion of Doppler-Broadened Double Differential Elastic Scattering Cross Section

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

Arbanas, Goran; Dunn, Michael E; Larson, Nancy M

2012-01-01

Convergence properties of Legendre expansion of a Doppler-broadened double-differential elastic neutron scattering cross section of {sup 238}U near the 6.67 eV resonance at temperature 10{sup 3} K are studied. A variance of Legendre expansion from a reference Monte Carlo computation is used as a measure of convergence and is computed for as many as 15 terms in the Legendre expansion. When the outgoing energy equals the incoming energy, it is found that the Legendre expansion converges very slowly. Therefore, a supplementary method of computing many higher-order terms is suggested and employed for this special case.

AN INFORMATION-THEORETIC APPROACH TO OPTIMIZE JWST OBSERVATIONS AND RETRIEVALS OF TRANSITING EXOPLANET ATMOSPHERES

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

Howe, Alex R.; Burrows, Adam; Deming, Drake, E-mail: arhowe@umich.edu, E-mail: burrows@astro.princeton.edu, E-mail: ddeming@astro.umd.edu

We provide an example of an analysis to explore the optimization of observations of transiting hot Jupiters with the James Webb Space Telescope ( JWST ) to characterize their atmospheres based on a simple three-parameter forward model. We construct expansive forward model sets for 11 hot Jupiters, 10 of which are relatively well characterized, exploring a range of parameters such as equilibrium temperature and metallicity, as well as considering host stars over a wide range in brightness. We compute posterior distributions of our model parameters for each planet with all of the available JWST spectroscopic modes and several programs ofmore » combined observations and compute their effectiveness using the metric of estimated mutual information per degree of freedom. From these simulations, clear trends emerge that provide guidelines for designing a JWST observing program. We demonstrate that these guidelines apply over a wide range of planet parameters and target brightnesses for our simple forward model.« less

Market penetration of energy supply technologies

NASA Astrophysics Data System (ADS)

Condap, R. J.

1980-03-01

Techniques to incorporate the concepts of profit-induced growth and risk aversion into policy-oriented optimization models of the domestic energy sector are examined. After reviewing the pertinent market penetration literature, simple mathematical programs in which the introduction of new energy technologies is constrained primarily by the reinvestment of profits are formulated. The main results involve the convergence behavior of technology production levels under various assumptions about the form of the energy demand function. Next, profitability growth constraints are embedded in a full-scale model of U.S. energy-economy interactions. A rapidly convergent algorithm is developed to utilize optimal shadow prices in the computation of profitability for individual technologies. Allowance is made for additional policy variables such as government funding and taxation. The result is an optimal deployment schedule for current and future energy technologies which is consistent with the sector's ability to finance capacity expansion.

Data processing and optimization system to study prospective interstate power interconnections

NASA Astrophysics Data System (ADS)

Podkovalnikov, Sergei; Trofimov, Ivan; Trofimov, Leonid

2018-01-01

The paper presents Data processing and optimization system for studying and making rational decisions on the formation of interstate electric power interconnections, with aim to increasing effectiveness of their functioning and expansion. The technologies for building and integrating a Data processing and optimization system including an object-oriented database and a predictive mathematical model for optimizing the expansion of electric power systems ORIRES, are described. The technology of collection and pre-processing of non-structured data collected from various sources and its loading to the object-oriented database, as well as processing and presentation of information in the GIS system are described. One of the approaches of graphical visualization of the results of optimization model is considered on the example of calculating the option for expansion of the South Korean electric power grid.

Long-term orbit prediction for the Venus Radar Mapper Mission using an averaging method

NASA Technical Reports Server (NTRS)

Kwok, J. H.

1984-01-01

A set of singly averaged equations of motion are presented and applied to long-term orbit prediction of an orbiting spacecraft around a slowly rotating planet, using the Venus Radar Mapper Mission as an example. The equations of motion used are valid for all eccentricities less than one. The disturbing potentials used include nonsphericity of the Venus gravity field and third-body effects due to the sun. Recursive relationships are used in the expansion and evaluation of these potentials and their respective partial derivatives. Special care is taken to optimize computational efficiency. The averaging method is compared with high precision Cowell's method using a desktop microcomputer and shows computational saving of about two orders of magnitude.

Cumulant expansions for measuring water exchange using diffusion MRI

NASA Astrophysics Data System (ADS)

Ning, Lipeng; Nilsson, Markus; Lasič, Samo; Westin, Carl-Fredrik; Rathi, Yogesh

2018-02-01

The rate of water exchange across cell membranes is a parameter of biological interest and can be measured by diffusion magnetic resonance imaging (dMRI). In this work, we investigate a stochastic model for the diffusion-and-exchange of water molecules. This model provides a general solution for the temporal evolution of dMRI signal using any type of gradient waveform, thereby generalizing the signal expressions for the Kärger model. Moreover, we also derive a general nth order cumulant expansion of the dMRI signal accounting for water exchange, which has not been explored in earlier studies. Based on this analytical expression, we compute the cumulant expansion for dMRI signals for the special case of single diffusion encoding (SDE) and double diffusion encoding (DDE) sequences. Our results provide a theoretical guideline on optimizing experimental parameters for SDE and DDE sequences, respectively. Moreover, we show that DDE signals are more sensitive to water exchange at short-time scale but provide less attenuation at long-time scale than SDE signals. Our theoretical analysis is also validated using Monte Carlo simulations on synthetic structures.

Gear optimization

NASA Technical Reports Server (NTRS)

Vanderplaats, G. N.; Chen, Xiang; Zhang, Ning-Tian

1988-01-01

The use of formal numerical optimization methods for the design of gears is investigated. To achieve this, computer codes were developed for the analysis of spur gears and spiral bevel gears. These codes calculate the life, dynamic load, bending strength, surface durability, gear weight and size, and various geometric parameters. It is necessary to calculate all such important responses because they all represent competing requirements in the design process. The codes developed here were written in subroutine form and coupled to the COPES/ADS general purpose optimization program. This code allows the user to define the optimization problem at the time of program execution. Typical design variables include face width, number of teeth and diametral pitch. The user is free to choose any calculated response as the design objective to minimize or maximize and may impose lower and upper bounds on any calculated responses. Typical examples include life maximization with limits on dynamic load, stress, weight, etc. or minimization of weight subject to limits on life, dynamic load, etc. The research codes were written in modular form for easy expansion and so that they could be combined to create a multiple reduction optimization capability in future.

Cast Off expansion plan by rapid improvement through Optimization tool design, Tool Parameters and using Six Sigma’s ECRS Technique

NASA Astrophysics Data System (ADS)

Gopalakrishnan, T.; Saravanan, R.

2017-03-01

Powerful management concepts step-up the quality of the product, time saving in producing the product thereby increase the production rate, improves tools and techniques, work culture, work place and employee motivation and morale. In this paper discussed about the case study of optimizing the tool design, tool parameters to cast off expansion plan according ECRS technique. The proposed designs and optimal tool parameters yielded best results and meet the customer demand without expansion plan. Hence the work yielded huge savings of money (direct and indirect cost), time and improved the motivation and more of employees significantly.

Equivalence of the Floquet-Magnus and Fer Expansions to Investigate the Dynamics of a Spin System in the Three-Level System.

PubMed

Mananga, Eugene Stephane

2017-08-17

In this work, we investigated the orders to which the Floquet-Magnus expansion (FME) and Fer expansion (FE) are equivalent or different for the three-level system. Specifically, we performed the third-order calculations of both approaches based on elegant integrations formalism. We present an important close relationship between the Floquet-Magnus and Fer expansions. As the propagator from the FME takes the form of the evolution operator, which removes the constraint of a stroboscopic observation, we appreciated the effects of time-evolution under Hamiltonians with different orders separately. Our work unifies and generalizes existing results of Floquet-Magnus and Fer approaches and delivers illustrations of novel springs that boost previous applications that are based on the classical information. Due to the lack of an unequivocal relationship between the FME and FE, some disagreements between the results produced by these theories will be found, especially in NMR experiments. Our results can find applications in the optimization of NMR spectroscopy, quantum computation, quantum optical control, and coherence in optics and might bear new awareness in fundamental perusals of quantum spin dynamics. This work is an important theoretical and numerical contribution in the general field of spin dynamics.

Photonic band structures solved by a plane-wave-based transfer-matrix method.

PubMed

Li, Zhi-Yuan; Lin, Lan-Lan

2003-04-01

Transfer-matrix methods adopting a plane-wave basis have been routinely used to calculate the scattering of electromagnetic waves by general multilayer gratings and photonic crystal slabs. In this paper we show that this technique, when combined with Bloch's theorem, can be extended to solve the photonic band structure for 2D and 3D photonic crystal structures. Three different eigensolution schemes to solve the traditional band diagrams along high-symmetry lines in the first Brillouin zone of the crystal are discussed. Optimal rules for the Fourier expansion over the dielectric function and electromagnetic fields with discontinuities occurring at the boundary of different material domains have been employed to accelerate the convergence of numerical computation. Application of this method to an important class of 3D layer-by-layer photonic crystals reveals the superior convergency of this different approach over the conventional plane-wave expansion method.

iQIST v0.7: An open source continuous-time quantum Monte Carlo impurity solver toolkit

NASA Astrophysics Data System (ADS)

Huang, Li

2017-12-01

In this paper, we present a new version of the iQIST software package, which is capable of solving various quantum impurity models by using the hybridization expansion (or strong coupling expansion) continuous-time quantum Monte Carlo algorithm. In the revised version, the software architecture is completely redesigned. New basis (intermediate representation or singular value decomposition representation) for the single-particle and two-particle Green's functions is introduced. A lot of useful physical observables are added, such as the charge susceptibility, fidelity susceptibility, Binder cumulant, and autocorrelation time. Especially, we optimize measurement for the two-particle Green's functions. Both the particle-hole and particle-particle channels are supported. In addition, the block structure of the two-particle Green's functions is exploited to accelerate the calculation. Finally, we fix some known bugs and limitations. The computational efficiency of the code is greatly enhanced.

Image size invariant visual cryptography for general access structures subject to display quality constraints.

PubMed

Lee, Kai-Hui; Chiu, Pei-Ling

2013-10-01

Conventional visual cryptography (VC) suffers from a pixel-expansion problem, or an uncontrollable display quality problem for recovered images, and lacks a general approach to construct visual secret sharing schemes for general access structures. We propose a general and systematic approach to address these issues without sophisticated codebook design. This approach can be used for binary secret images in non-computer-aided decryption environments. To avoid pixel expansion, we design a set of column vectors to encrypt secret pixels rather than using the conventional VC-based approach. We begin by formulating a mathematic model for the VC construction problem to find the column vectors for the optimal VC construction, after which we develop a simulated-annealing-based algorithm to solve the problem. The experimental results show that the display quality of the recovered image is superior to that of previous papers.

Wiener Chaos and Nonlinear Filtering

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

Lototsky, S.V.

2006-11-15

The paper discusses two algorithms for solving the Zakai equation in the time-homogeneous diffusion filtering model with possible correlation between the state process and the observation noise. Both algorithms rely on the Cameron-Martin version of the Wiener chaos expansion, so that the approximate filter is a finite linear combination of the chaos elements generated by the observation process. The coefficients in the expansion depend only on the deterministic dynamics of the state and observation processes. For real-time applications, computing the coefficients in advance improves the performance of the algorithms in comparison with most other existing methods of nonlinear filtering. Themore » paper summarizes the main existing results about these Wiener chaos algorithms and resolves some open questions concerning the convergence of the algorithms in the noise-correlated setting. The presentation includes the necessary background on the Wiener chaos and optimal nonlinear filtering.« less

Microscopically based energy density functionals for nuclei using the density matrix expansion. II. Full optimization and validation

NASA Astrophysics Data System (ADS)

Navarro Pérez, R.; Schunck, N.; Dyhdalo, A.; Furnstahl, R. J.; Bogner, S. K.

2018-05-01

Background: Energy density functional methods provide a generic framework to compute properties of atomic nuclei starting from models of nuclear potentials and the rules of quantum mechanics. Until now, the overwhelming majority of functionals have been constructed either from empirical nuclear potentials such as the Skyrme or Gogny forces, or from systematic gradient-like expansions in the spirit of the density functional theory for atoms. Purpose: We seek to obtain a usable form of the nuclear energy density functional that is rooted in the modern theory of nuclear forces. We thus consider a functional obtained from the density matrix expansion of local nuclear potentials from chiral effective field theory. We propose a parametrization of this functional carefully calibrated and validated on selected ground-state properties that is suitable for large-scale calculations of nuclear properties. Methods: Our energy functional comprises two main components. The first component is a non-local functional of the density and corresponds to the direct part (Hartree term) of the expectation value of local chiral potentials on a Slater determinant. Contributions to the mean field and the energy of this term are computed by expanding the spatial, finite-range components of the chiral potential onto Gaussian functions. The second component is a local functional of the density and is obtained by applying the density matrix expansion to the exchange part (Fock term) of the expectation value of the local chiral potential. We apply the UNEDF2 optimization protocol to determine the coupling constants of this energy functional. Results: We obtain a set of microscopically constrained functionals for local chiral potentials from leading order up to next-to-next-to-leading order with and without three-body forces and contributions from Δ excitations. These functionals are validated on the calculation of nuclear and neutron matter, nuclear mass tables, single-particle shell structure in closed-shell nuclei, and the fission barrier of 240Pu. Quantitatively, they perform noticeably better than the more phenomenological Skyrme functionals. Conclusions: The inclusion of higher-order terms in the chiral perturbation expansion seems to produce a systematic improvement in predicting nuclear binding energies while the impact on other observables is not really significant. This result is especially promising since all the fits have been performed at the single-reference level of the energy density functional approach, where important collective correlations such as center-of-mass correction, rotational correction, or zero-point vibrational energies have not been taken into account yet.

Analytic computation of energy derivatives - Relationships among partial derivatives of a variationally determined function

NASA Technical Reports Server (NTRS)

King, H. F.; Komornicki, A.

1986-01-01

Formulas are presented relating Taylor series expansion coefficients of three functions of several variables, the energy of the trial wave function (W), the energy computed using the optimized variational wave function (E), and the response function (lambda), under certain conditions. Partial derivatives of lambda are obtained through solution of a recursive system of linear equations, and solution through order n yields derivatives of E through order 2n + 1, extending Puley's application of Wigner's 2n + 1 rule to partial derivatives in couple perturbation theory. An examination of numerical accuracy shows that the usual two-term second derivative formula is less stable than an alternative four-term formula, and that previous claims that energy derivatives are stationary properties of the wave function are fallacious. The results have application to quantum theoretical methods for the computation of derivative properties such as infrared frequencies and intensities.

3D electron tomography of pretreated biomass informs atomic modeling of cellulose microfibrils.

PubMed

Ciesielski, Peter N; Matthews, James F; Tucker, Melvin P; Beckham, Gregg T; Crowley, Michael F; Himmel, Michael E; Donohoe, Bryon S

2013-09-24

Fundamental insights into the macromolecular architecture of plant cell walls will elucidate new structure-property relationships and facilitate optimization of catalytic processes that produce fuels and chemicals from biomass. Here we introduce computational methodology to extract nanoscale geometry of cellulose microfibrils within thermochemically treated biomass directly from electron tomographic data sets. We quantitatively compare the cell wall nanostructure in corn stover following two leading pretreatment strategies: dilute acid with iron sulfate co-catalyst and ammonia fiber expansion (AFEX). Computational analysis of the tomographic data is used to extract mathematical descriptions for longitudinal axes of cellulose microfibrils from which we calculate their nanoscale curvature. These nanostructural measurements are used to inform the construction of atomistic models that exhibit features of cellulose within real, process-relevant biomass. By computational evaluation of these atomic models, we propose relationships between the crystal structure of cellulose Iβ and the nanoscale geometry of cellulose microfibrils.

Computational Fluid Dynamic Modeling of Rocket Based Combined Cycle Engine Flowfields

NASA Technical Reports Server (NTRS)

Daines, Russell L.; Merkle, Charles L.

1994-01-01

Computational Fluid Dynamic techniques are used to study the flowfield of a fixed geometry Rocket Based Combined Cycle engine operating in rocket ejector mode. Heat addition resulting from the combustion of injected fuel causes the subsonic engine flow to choke and go supersonic in the slightly divergent combustor-mixer section. Reacting flow computations are undertaken to predict the characteristics of solutions where the heat addition is determined by the flowfield. Here, adaptive gridding is used to improve resolution in the shear layers. Results show that the sonic speed is reached in the unheated portions of the flow first, while the heated portions become supersonic later. Comparison with results from another code show reasonable agreement. The coupled solutions show that the character of the combustion-based thermal choking phenomenon can be controlled reasonably well such that there is opportunity to optimize the length and expansion ratio of the combustor-mixer.

ISCFD Nagoya 1989 - International Symposium on Computational Fluid Dynamics, 3rd, Nagoya, Japan, Aug. 28-31, 1989, Technical Papers

NASA Astrophysics Data System (ADS)

Recent advances in computational fluid dynamics are discussed in reviews and reports. Topics addressed include large-scale LESs for turbulent pipe and channel flows, numerical solutions of the Euler and Navier-Stokes equations on parallel computers, multigrid methods for steady high-Reynolds-number flow past sudden expansions, finite-volume methods on unstructured grids, supersonic wake flow on a blunt body, a grid-characteristic method for multidimensional gas dynamics, and CIC numerical simulation of a wave boundary layer. Consideration is given to vortex simulations of confined two-dimensional jets, supersonic viscous shear layers, spectral methods for compressible flows, shock-wave refraction at air/water interfaces, oscillatory flow in a two-dimensional collapsible channel, the growth of randomness in a spatially developing wake, and an efficient simplex algorithm for the finite-difference and dynamic linear-programming method in optimal potential control.

Optimized statistical parametric mapping procedure for NIRS data contaminated by motion artifacts : Neurometric analysis of body schema extension.

PubMed

Suzuki, Satoshi

2017-09-01

This study investigated the spatial distribution of brain activity on body schema (BS) modification induced by natural body motion using two versions of a hand-tracing task. In Task 1, participants traced Japanese Hiragana characters using the right forefinger, requiring no BS expansion. In Task 2, participants performed the tracing task with a long stick, requiring BS expansion. Spatial distribution was analyzed using general linear model (GLM)-based statistical parametric mapping of near-infrared spectroscopy data contaminated with motion artifacts caused by the hand-tracing task. Three methods were utilized in series to counter the artifacts, and optimal conditions and modifications were investigated: a model-free method (Step 1), a convolution matrix method (Step 2), and a boxcar-function-based Gaussian convolution method (Step 3). The results revealed four methodological findings: (1) Deoxyhemoglobin was suitable for the GLM because both Akaike information criterion and the variance against the averaged hemodynamic response function were smaller than for other signals, (2) a high-pass filter with a cutoff frequency of .014 Hz was effective, (3) the hemodynamic response function computed from a Gaussian kernel function and its first- and second-derivative terms should be included in the GLM model, and (4) correction of non-autocorrelation and use of effective degrees of freedom were critical. Investigating z-maps computed according to these guidelines revealed that contiguous areas of BA7-BA40-BA21 in the right hemisphere became significantly activated ([Formula: see text], [Formula: see text], and [Formula: see text], respectively) during BS modification while performing the hand-tracing task.

The influence of the free space environment on the superlight-weight thermal protection system: conception, methods, and risk analysis

NASA Astrophysics Data System (ADS)

Yatsenko, Vitaliy; Falchenko, Iurii; Fedorchuk, Viktor; Petrushynets, Lidiia

2016-07-01

This report focuses on the results of the EU project "Superlight-weight thermal protection system for space application (LIGHT-TPS)". The bottom line is an analysis of influence of the free space environment on the superlight-weight thermal protection system (TPS). This report focuses on new methods that based on the following models: synergetic, physical, and computational. This report concentrates on four approaches. The first concerns the synergetic approach. The synergetic approach to the solution of problems of self-controlled synthesis of structures and creation of self-organizing technologies is considered in connection with the super-problem of creation of materials with new functional properties. Synergetics methods and mathematical design are considered according to actual problems of material science. The second approach describes how the optimization methods can be used to determine material microstructures with optimized or targeted properties. This technique enables one to find unexpected microstructures with exotic behavior (e.g., negative thermal expansion coefficients). The third approach concerns the dynamic probabilistic risk analysis of TPS l elements with complex characterizations for damages using a physical model of TPS system and a predictable level of ionizing radiation and space weather. Focusing is given mainly on the TPS model, mathematical models for dynamic probabilistic risk assessment and software for the modeling and prediction of the influence of the free space environment. The probabilistic risk assessment method for TPS is presented considering some deterministic and stochastic factors. The last approach concerns results of experimental research of the temperature distribution on the surface of the honeycomb sandwich panel size 150 x 150 x 20 mm at the diffusion welding in vacuum are considered. An equipment, which provides alignment of temperature fields in a product for the formation of equal strength of welded joints is considered. Many tasks in computational materials science can be posed as optimization problems. This technique enables one to find unexpected microstructures with exotic behavior (e.g., negative thermal expansion coefficients). The last approach is concerned with the generation of realizations of materials with specified but limited microstructural information: an intriguing inverse problem of both fundamental and practical importance. Computational models based upon the theories of molecular dynamics or quantum mechanics would enable the prediction and modification of fundamental materials properties. This problem is solved using deterministic and stochastic optimization techniques. The main optimization approaches in the frame of the EU project "Superlight-weight thermal protection system for space application" are discussed. Optimization approach to the alloys for obtaining materials with required properties using modeling techniques and experimental data will be also considered. This report is supported by the EU project "Superlight-weight thermal protection system for space application (LIGHT-TPS)"

Multi-objective optimization of composite structures. A review

NASA Astrophysics Data System (ADS)

Teters, G. A.; Kregers, A. F.

1996-05-01

Studies performed on the optimization of composite structures by coworkers of the Institute of Polymers Mechanics of the Latvian Academy of Sciences in recent years are reviewed. The possibility of controlling the geometry and anisotropy of laminar composite structures will make it possible to design articles that best satisfy the requirements established for them. Conflicting requirements such as maximum bearing capacity, minimum weight and/or cost, prescribed thermal conductivity and thermal expansion, etc. usually exist for optimal design. This results in the multi-objective compromise optimization of structures. Numerical methods have been developed for solution of problems of multi-objective optimization of composite structures; parameters of the structure of the reinforcement and the geometry of the design are assigned as controlling parameters. Programs designed to run on personal computers have been compiled for multi-objective optimization of the properties of composite materials, plates, and shells. Solutions are obtained for both linear and nonlinear models. The programs make it possible to establish the Pareto compromise region and special multicriterial solutions. The problem of the multi-objective optimization of the elastic moduli of a spatially reinforced fiberglass with stochastic stiffness parameters has been solved. The region of permissible solutions and the Pareto region have been found for the elastic moduli. The dimensions of the scatter ellipse have been determined for a multidimensional Gaussian probability distribution where correlation between the composite's properties being optimized are accounted for. Two types of problems involving the optimization of a laminar rectangular composite plate are considered: the plate is considered elastic and anisotropic in the first case, and viscoelastic properties are accounted for in the second. The angle of reinforcement and the relative amount of fibers in the longitudinal direction are controlling parameters. The optimized properties are the critical stresses, thermal conductivity, and thermal expansion. The properties of a plate are determined by the properties of the components in the composite, eight of which are stochastic. The region of multi-objective compromise solutions is presented, and the parameters of the scatter ellipses of the properties are given.

Computational multiobjective topology optimization of silicon anode structures for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Mitchell, Sarah L.; Ortiz, Michael

2016-09-01

This study utilizes computational topology optimization methods for the systematic design of optimal multifunctional silicon anode structures for lithium-ion batteries. In order to develop next generation high performance lithium-ion batteries, key design challenges relating to the silicon anode structure must be addressed, namely the lithiation-induced mechanical degradation and the low intrinsic electrical conductivity of silicon. As such this work considers two design objectives, the first being minimum compliance under design dependent volume expansion, and the second maximum electrical conduction through the structure, both of which are subject to a constraint on material volume. Density-based topology optimization methods are employed in conjunction with regularization techniques, a continuation scheme, and mathematical programming methods. The objectives are first considered individually, during which the influence of the minimum structural feature size and prescribed volume fraction are investigated. The methodology is subsequently extended to a bi-objective formulation to simultaneously address both the structural and conduction design criteria. The weighted sum method is used to derive the Pareto fronts, which demonstrate a clear trade-off between the competing design objectives. A rigid frame structure was found to be an excellent compromise between the structural and conduction design criteria, providing both the required structural rigidity and direct conduction pathways. The developments and results presented in this work provide a foundation for the informed design and development of silicon anode structures for high performance lithium-ion batteries.

Inverse analysis of giant macroscopic negative thermal expansion of Ca2RuO4‑ y ceramics based on elasticity and structural topology optimization

NASA Astrophysics Data System (ADS)

Takezawa, Akihiro; Takenaka, Koshi; Zhang, Xiaopeng

2018-05-01

Ca2RuO4‑ y ceramics exhibit a large volumetric negative thermal expansions (NTE), although the crystallographic volume contraction on heating is much smaller than the NTE. Therefore, we examine the differences in the mechanisms underlying the volumetric thermal expansion for ruthenate ceramics and crystals in the context of the elasticity. We identify the possible microstructure of ruthenate ceramics composed of crystal grains and cavities using structural topology optimization. We conclude that the measured large volumetric NTE of ruthenate ceramics is certainly possible via anisotropic crystallographic thermal expansion through an elastic mechanism.

Differential Higgs production at N3LO beyond threshold

NASA Astrophysics Data System (ADS)

Dulat, Falko; Mistlberger, Bernhard; Pelloni, Andrea

2018-01-01

We present several key steps towards the computation of differential Higgs boson cross sections at N3LO in perturbative QCD. Specifically, we work in the framework of Higgs-differential cross sections that allows to compute precise predictions for realistic LHC observables. We demonstrate how to perform an expansion of the analytic N3LO coefficient functions around the production threshold of the Higgs boson. Our framework allows us to compute to arbitrarily high order in the threshold expansion and we explicitly obtain the first two expansion coefficients in analytic form. Furthermore, we assess the phenomenological viability of threshold expansions for differential distributions. We find that while a few terms in the threshold expansion are sufficient to approximate the exact rapidity distribution well, transverse momentum distributions require a signficantly higher number of terms in the expansion to be adequately described. We find that to improve state of the art predictions for the rapidity distribution beyond NNLO even more sub-leading terms in the threshold expansion than presented in this article are required. In addition, we report on an interesting obstacle for the computation of N3LO corrections with LHAPDF parton distribution functions and our solution. We provide files containing the analytic expressions for the partonic cross sections as supplementary material attached to this paper.

Differential Higgs production at N 3LO beyond threshold

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

Dulat, Falko; Mistlberger, Bernhard; Pelloni, Andrea

We present several key steps towards the computation of differential Higgs boson cross sections at N 3LO in perturbative QCD. Specifically, we work in the framework of Higgs-differential cross sections that allows to compute precise predictions for realistic LHC observables. We demonstrate how to perform an expansion of the analytic N 3LO coefficient functions around the production threshold of the Higgs boson. Our framework allows us to compute to arbitrarily high order in the threshold expansion and we explicitly obtain the first two expansion coefficients in analytic form. Furthermore, we assess the phenomenological viability of threshold expansions for differential distributions.more » We find that while a few terms in the threshold expansion are sufficient to approximate the exact rapidity distribution well, transverse momentum distributions require a signficantly higher number of terms in the expansion to be adequately described. We find that to improve state of the art predictions for the rapidity distribution beyond NNLO even more sub-leading terms in the threshold expansion than presented in this article are required. In addition, we report on an interesting obstacle for the computation of N 3LO corrections with LHAPDF parton distribution functions and our solution. We provide files containing the analytic expressions for the partonic cross sections as supplementary material attached to this paper.« less

Differential Higgs production at N 3LO beyond threshold

DOE PAGES

Dulat, Falko; Mistlberger, Bernhard; Pelloni, Andrea

2018-01-29

We present several key steps towards the computation of differential Higgs boson cross sections at N 3LO in perturbative QCD. Specifically, we work in the framework of Higgs-differential cross sections that allows to compute precise predictions for realistic LHC observables. We demonstrate how to perform an expansion of the analytic N 3LO coefficient functions around the production threshold of the Higgs boson. Our framework allows us to compute to arbitrarily high order in the threshold expansion and we explicitly obtain the first two expansion coefficients in analytic form. Furthermore, we assess the phenomenological viability of threshold expansions for differential distributions.more » We find that while a few terms in the threshold expansion are sufficient to approximate the exact rapidity distribution well, transverse momentum distributions require a signficantly higher number of terms in the expansion to be adequately described. We find that to improve state of the art predictions for the rapidity distribution beyond NNLO even more sub-leading terms in the threshold expansion than presented in this article are required. In addition, we report on an interesting obstacle for the computation of N 3LO corrections with LHAPDF parton distribution functions and our solution. We provide files containing the analytic expressions for the partonic cross sections as supplementary material attached to this paper.« less

Electricity system expansion studies to consider uncertainties and interactions in restructured markets

NASA Astrophysics Data System (ADS)

Jin, Shan

This dissertation concerns power system expansion planning under different market mechanisms. The thesis follows a three paper format, in which each paper emphasizes a different perspective. The first paper investigates the impact of market uncertainties on a long term centralized generation expansion planning problem. The problem is modeled as a two-stage stochastic program with uncertain fuel prices and demands, which are represented as probabilistic scenario paths in a multi-period tree. Two measurements, expected cost (EC) and Conditional Value-at-Risk (CVaR), are used to minimize, respectively, the total expected cost among scenarios and the risk of incurring high costs in unfavorable scenarios. We sample paths from the scenario tree to reduce the problem scale and determine the sufficient number of scenarios by computing confidence intervals on the objective values. The second paper studies an integrated electricity supply system including generation, transmission and fuel transportation with a restructured wholesale electricity market. This integrated system expansion problem is modeled as a bi-level program in which a centralized system expansion decision is made in the upper level and the operational decisions of multiple market participants are made in the lower level. The difficulty of solving a bi-level programming problem to global optimality is discussed and three problem relaxations obtained by reformulation are explored. The third paper solves a more realistic market-based generation and transmission expansion problem. It focuses on interactions among a centralized transmission expansion decision and decentralized generation expansion decisions. It allows each generator to make its own strategic investment and operational decisions both in response to a transmission expansion decision and in anticipation of a market price settled by an Independent System Operator (ISO) market clearing problem. The model poses a complicated tri-level structure including an equilibrium problem with equilibrium constraints (EPEC) sub-problem. A hybrid iterative algorithm is proposed to solve the problem efficiently and reliably.

The expansion of polarization charge layers into magnetized vacuum - Theory and computer simulations

NASA Technical Reports Server (NTRS)

Galvez, Miguel; Borovsky, Joseph E.

1991-01-01

The formation and evolution of polarization charge layers on cylindrical plasma streams moving in vacuum are investigated using analytic theory and 2D electrostatic particle-in-cell computer simulations. It is shown that the behavior of the electron charge layer goes through three stages. An early time expansion is driven by electrostatic repulsion of electrons in the charge layer. At the intermediate stage, the simulations show that the electron-charge-layer expansion is halted by the positively charged plasma stream. Electrons close to the stream are pulled back to the stream and a second electron expansion follows in time. At the late stage, the expansion of the ion charge layer along the magnetic field lines accompanies the electron expansion to form an ambipolar expansion. It is found that the velocities of these electron-ion expansions greatly exceed the velocities of ambipolar expansions which are driven by plasma temperatures.

Load balancing prediction method of cloud storage based on analytic hierarchy process and hybrid hierarchical genetic algorithm.

PubMed

Zhou, Xiuze; Lin, Fan; Yang, Lvqing; Nie, Jing; Tan, Qian; Zeng, Wenhua; Zhang, Nian

2016-01-01

With the continuous expansion of the cloud computing platform scale and rapid growth of users and applications, how to efficiently use system resources to improve the overall performance of cloud computing has become a crucial issue. To address this issue, this paper proposes a method that uses an analytic hierarchy process group decision (AHPGD) to evaluate the load state of server nodes. Training was carried out by using a hybrid hierarchical genetic algorithm (HHGA) for optimizing a radial basis function neural network (RBFNN). The AHPGD makes the aggregative indicator of virtual machines in cloud, and become input parameters of predicted RBFNN. Also, this paper proposes a new dynamic load balancing scheduling algorithm combined with a weighted round-robin algorithm, which uses the predictive periodical load value of nodes based on AHPPGD and RBFNN optimized by HHGA, then calculates the corresponding weight values of nodes and makes constant updates. Meanwhile, it keeps the advantages and avoids the shortcomings of static weighted round-robin algorithm.

Composite structural materials

NASA Technical Reports Server (NTRS)

Ansell, G. S.; Loewy, R. G.; Wiberley, S. E.

1979-01-01

A multifaceted program is described in which aeronautical, mechanical, and materials engineers interact to develop composite aircraft structures. Topics covered include: (1) the design of an advanced composite elevator and a proposed spar and rib assembly; (2) optimizing fiber orientation in the vicinity of heavily loaded joints; (3) failure mechanisms and delamination; (4) the construction of an ultralight sailplane; (5) computer-aided design; finite element analysis programs, preprocessor development, and array preprocessor for SPAR; (6) advanced analysis methods for composite structures; (7) ultrasonic nondestructive testing; (8) physical properties of epoxy resins and composites; (9) fatigue in composite materials, and (10) transverse thermal expansion of carbon/epoxy composites.

Utilizing T-cell Activation Signals 1, 2, and 3 for Tumor-infiltrating Lymphocytes (TIL) Expansion: The Advantage Over the Sole Use of Interleukin-2 in Cutaneous and Uveal Melanoma.

PubMed

Tavera, René J; Forget, Marie-Andrée; Kim, Young Uk; Sakellariou-Thompson, Donastas; Creasy, Caitlin A; Bhatta, Ankit; Fulbright, Orenthial J; Ramachandran, Renjith; Thorsen, Shawne T; Flores, Esteban; Wahl, Arely; Gonzalez, Audrey M; Toth, Christopher; Wardell, Seth; Mansaray, Rahmatu; Radvanyi, Laszlo G; Gombos, Dan S; Patel, Sapna P; Hwu, Patrick; Amaria, Rodabe N; Bernatchez, Chantale; Haymaker, Cara

2018-05-11

In this study, we address one of the major critiques for tumor-infiltrating lymphocyte (TIL) therapy-the time needed for proper expansion of a suitable product. We postulated that T-cell receptor activation in the first phase of expansion combined with an agonistic stimulation of CD137/4-1BB and interleukin-2 would favor preferential expansion of CD8 TIL. Indeed, this novel 3-signal approach for optimal T-cell activation resulted in faster and more consistent expansion of CD8CD3 TIL. This new method allowed for successful expansion of TIL from cutaneous and uveal melanoma tumors in 100% of the cultures in <3 weeks. Finally, providing the 3 signals attributed to optimal T-cell activation led to expansion of TIL capable of recognizing their tumor counterpart in cutaneous and uveal melanoma. This new methodology for the initial phase of TIL expansion brings a new opportunity for translation of TIL therapy in challenging malignancies such as uveal melanoma.

A CFD-based aerodynamic design procedure for hypersonic wind-tunnel nozzles

NASA Technical Reports Server (NTRS)

Korte, John J.

1993-01-01

A new procedure which unifies the best of current classical design practices, computational fluid dynamics (CFD), and optimization procedures is demonstrated for designing the aerodynamic lines of hypersonic wind-tunnel nozzles. The new procedure can be used to design hypersonic wind tunnel nozzles with thick boundary layers where the classical design procedure has been shown to break down. An efficient CFD code, which solves the parabolized Navier-Stokes (PNS) equations using an explicit upwind algorithm, is coupled to a least-squares (LS) optimization procedure. A LS problem is formulated to minimize the difference between the computed flow field and the objective function, consisting of the centerline Mach number distribution and the exit Mach number and flow angle profiles. The aerodynamic lines of the nozzle are defined using a cubic spline, the slopes of which are optimized with the design procedure. The advantages of the new procedure are that it allows full use of powerful CFD codes in the design process, solves an optimization problem to determine the new contour, can be used to design new nozzles or improve sections of existing nozzles, and automatically compensates the nozzle contour for viscous effects as part of the unified design procedure. The new procedure is demonstrated by designing two Mach 15, a Mach 12, and a Mach 18 helium nozzles. The flexibility of the procedure is demonstrated by designing the two Mach 15 nozzles using different constraints, the first nozzle for a fixed length and exit diameter and the second nozzle for a fixed length and throat diameter. The computed flow field for the Mach 15 least squares parabolized Navier-Stokes (LS/PNS) designed nozzle is compared with the classically designed nozzle and demonstrates a significant improvement in the flow expansion process and uniform core region.

An efficient algorithm for building locally refined hp - adaptive H-PCFE: Application to uncertainty quantification

NASA Astrophysics Data System (ADS)

Chakraborty, Souvik; Chowdhury, Rajib

2017-12-01

Hybrid polynomial correlated function expansion (H-PCFE) is a novel metamodel formulated by coupling polynomial correlated function expansion (PCFE) and Kriging. Unlike commonly available metamodels, H-PCFE performs a bi-level approximation and hence, yields more accurate results. However, till date, it is only applicable to medium scaled problems. In order to address this apparent void, this paper presents an improved H-PCFE, referred to as locally refined hp - adaptive H-PCFE. The proposed framework computes the optimal polynomial order and important component functions of PCFE, which is an integral part of H-PCFE, by using global variance based sensitivity analysis. Optimal number of training points are selected by using distribution adaptive sequential experimental design. Additionally, the formulated model is locally refined by utilizing the prediction error, which is inherently obtained in H-PCFE. Applicability of the proposed approach has been illustrated with two academic and two industrial problems. To illustrate the superior performance of the proposed approach, results obtained have been compared with those obtained using hp - adaptive PCFE. It is observed that the proposed approach yields highly accurate results. Furthermore, as compared to hp - adaptive PCFE, significantly less number of actual function evaluations are required for obtaining results of similar accuracy.

The art of spacecraft design: A multidisciplinary challenge

NASA Technical Reports Server (NTRS)

Abdi, F.; Ide, H.; Levine, M.; Austel, L.

1989-01-01

Actual design turn-around time has become shorter due to the use of optimization techniques which have been introduced into the design process. It seems that what, how and when to use these optimization techniques may be the key factor for future aircraft engineering operations. Another important aspect of this technique is that complex physical phenomena can be modeled by a simple mathematical equation. The new powerful multilevel methodology reduces time-consuming analysis significantly while maintaining the coupling effects. This simultaneous analysis method stems from the implicit function theorem and system sensitivity derivatives of input variables. Use of the Taylor's series expansion and finite differencing technique for sensitivity derivatives in each discipline makes this approach unique for screening dominant variables from nondominant variables. In this study, the current Computational Fluid Dynamics (CFD) aerodynamic and sensitivity derivative/optimization techniques are applied for a simple cone-type forebody of a high-speed vehicle configuration to understand basic aerodynamic/structure interaction in a hypersonic flight condition.

Minimizing coal terminal marine structure costs. A case history: Plaquemines Parish terminal. [Dock and piles design to absorb and distribute impact and longitudinal forces

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

Pardon, D.V.; Faeth, M.T.; Curth, O.

1981-01-01

At International Marine Terminals' Plaquemines Parish Terminal, design optimization was accomplished by optimizing the dock pile bent spacing and designing the superstructure to distribute berthing impact forces and bollard pulls over a large number of pile bents. Also, by resisting all longitudinal forces acting on the dock at a single location near the center of the structure, the number of longitudinal batter piles was minimized and the need for costly expansion joints was eliminated. Computer techniques were utilized to analyze and optimize the design of the new dock. Pile driving procedures were evaluated utilizing a wave equation technique. Tripod dolphinsmore » with a resilient fender system were provided. The resilent fender system, a combination of rubber shear type and wing type fenders, adds only a small percentage to the total cost of the dolphins but greatly increases their energy absorption capability.« less

Optimality of Thermal Expansion Bounds in Three Dimensions

DOE PAGES

Watts, Seth E.; Tortorelli, Daniel A.

2015-02-20

In this short note, we use topology optimization to design multi-phase isotropic three-dimensional composite materials with extremal combinations of isotropic thermal expansion and bulk modulus. In so doing, we provide evidence that the theoretical bounds for this combination of material properties are optimal. This has been shown in two dimensions, but not heretofore in three dimensions. Finally, we also show that restricting the design space by enforcing material symmetry by construction does not prevent one from obtaining extremal designs.

Continuous 4-1BB co-stimulatory signals for the optimal expansion of tumor-infiltrating lymphocytes for adoptive T-cell therapy.

PubMed

Chacon, Jessica Ann; Pilon-Thomas, Shari; Sarnaik, Amod A; Radvanyi, Laszlo G

2013-09-01

Co-stimulation through members of the tumor necrosis factor receptor (TNFR) family appears to be critical for the generation of T cells with optimal effector-memory properties for adoptive cell therapy. Our work suggests that continuous 4-1BB/CD137 co-stimulation is required for the expansion of T cells with an optimal therapeutic profile and that the administration of 4-1BB agonists upon adoptive cell transfer further improves antitumor T-cell functions.

The effect of code expanding optimizations on instruction cache design

NASA Technical Reports Server (NTRS)

Chen, William Y.; Chang, Pohua P.; Conte, Thomas M.; Hwu, Wen-Mei W.

1991-01-01

It is shown that code expanding optimizations have strong and non-intuitive implications on instruction cache design. Three types of code expanding optimizations are studied: instruction placement, function inline expansion, and superscalar optimizations. Overall, instruction placement reduces the miss ratio of small caches. Function inline expansion improves the performance for small cache sizes, but degrades the performance of medium caches. Superscalar optimizations increases the cache size required for a given miss ratio. On the other hand, they also increase the sequentiality of instruction access so that a simple load-forward scheme effectively cancels the negative effects. Overall, it is shown that with load forwarding, the three types of code expanding optimizations jointly improve the performance of small caches and have little effect on large caches.

COMPUTATIONAL METHODS FOR SENSITIVITY AND UNCERTAINTY ANALYSIS FOR ENVIRONMENTAL AND BIOLOGICAL MODELS

EPA Science Inventory

This work introduces a computationally efficient alternative method for uncertainty propagation, the Stochastic Response Surface Method (SRSM). The SRSM approximates uncertainties in model outputs through a series expansion in normal random variables (polynomial chaos expansion)...

Application of multiobjective optimization to scheduling capacity expansion of urban water resource systems

NASA Astrophysics Data System (ADS)

Mortazavi-Naeini, Mohammad; Kuczera, George; Cui, Lijie

2014-06-01

Significant population increase in urban areas is likely to result in a deterioration of drought security and level of service provided by urban water resource systems. One way to cope with this is to optimally schedule the expansion of system resources. However, the high capital costs and environmental impacts associated with expanding or building major water infrastructure warrant the investigation of scheduling system operational options such as reservoir operating rules, demand reduction policies, and drought contingency plans, as a way of delaying or avoiding the expansion of water supply infrastructure. Traditionally, minimizing cost has been considered the primary objective in scheduling capacity expansion problems. In this paper, we consider some of the drawbacks of this approach. It is shown that there is no guarantee that the social burden of coping with drought emergencies is shared equitably across planning stages. In addition, it is shown that previous approaches do not adequately exploit the benefits of joint optimization of operational and infrastructure options and do not adequately address the need for the high level of drought security expected for urban systems. To address these shortcomings, a new multiobjective optimization approach to scheduling capacity expansion in an urban water resource system is presented and illustrated in a case study involving the bulk water supply system for Canberra. The results show that the multiobjective approach can address the temporal equity issue of sharing the burden of drought emergencies and that joint optimization of operational and infrastructure options can provide solutions superior to those just involving infrastructure options.

Co-optimizing Generation and Transmission Expansion with Wind Power in Large-Scale Power Grids Implementation in the US Eastern Interconnection

DOE PAGES

You, Shutang; Hadley, Stanton W.; Shankar, Mallikarjun; ...

2016-01-12

This paper studies the generation and transmission expansion co-optimization problem with a high wind power penetration rate in the US Eastern Interconnection (EI) power grid. In this paper, the generation and transmission expansion problem for the EI system is modeled as a mixed-integer programming (MIP) problem. Our paper also analyzed a time series generation method to capture the variation and correlation of both load and wind power across regions. The obtained series can be easily introduced into the expansion planning problem and then solved through existing MIP solvers. Simulation results show that the proposed planning model and series generation methodmore » can improve the expansion result significantly through modeling more detailed information of wind and load variation among regions in the US EI system. Moreover, the improved expansion plan that combines generation and transmission will aid system planners and policy makers to maximize the social welfare in large-scale power grids.« less

Reliability models: the influence of model specification in generation expansion planning

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

Stremel, J.P.

1982-10-01

This paper is a critical evaluation of reliability methods used for generation expansion planning. It is shown that the methods for treating uncertainty are critical for determining the relative reliability value of expansion alternatives. It is also shown that the specification of the reliability model will not favor all expansion options equally. Consequently, the model is biased. In addition, reliability models should be augmented with an economic value of reliability (such as the cost of emergency procedures or energy not served). Generation expansion evaluations which ignore the economic value of excess reliability can be shown to be inconsistent. The conclusionsmore » are that, in general, a reliability model simplifies generation expansion planning evaluations. However, for a thorough analysis, the expansion options should be reviewed for candidates which may be unduly rejected because of the bias of the reliability model. And this implies that for a consistent formulation in an optimization framework, the reliability model should be replaced with a full economic optimization which includes the costs of emergency procedures and interruptions in the objective function.« less

Designing future dark energy space missions. II. Photometric redshift of space weak lensing optimized surveys

NASA Astrophysics Data System (ADS)

Jouvel, S.; Kneib, J.-P.; Bernstein, G.; Ilbert, O.; Jelinsky, P.; Milliard, B.; Ealet, A.; Schimd, C.; Dahlen, T.; Arnouts, S.

2011-08-01

Context. With the discovery of the accelerated expansion of the universe, different observational probes have been proposed to investigate the presence of dark energy, including possible modifications to the gravitation laws by accurately measuring the expansion of the Universe and the growth of structures. We need to optimize the return from future dark energy surveys to obtain the best results from these probes. Aims: A high precision weak-lensing analysis requires not an only accurate measurement of galaxy shapes but also a precise and unbiased measurement of galaxy redshifts. The survey strategy has to be defined following both the photometric redshift and shape measurement accuracy. Methods: We define the key properties of the weak-lensing instrument and compute the effective PSF and the overall throughput and sensitivities. We then investigate the impact of the pixel scale on the sampling of the effective PSF, and place upper limits on the pixel scale. We then define the survey strategy computing the survey area including in particular both the Galactic absorption and Zodiacal light variation accross the sky. Using the Le Phare photometric redshift code and realistic galaxy mock catalog, we investigate the properties of different filter-sets and the importance of the u-band photometry quality to optimize the photometric redshift and the dark energy figure of merit (FoM). Results: Using the predicted photometric redshift quality, simple shape measurement requirements, and a proper sky model, we explore what could be an optimal weak-lensing dark energy mission based on FoM calculation. We find that we can derive the most accurate the photometric redshifts for the bulk of the faint galaxy population when filters have a resolution ℛ ~ 3.2. We show that an optimal mission would survey the sky through eight filters using two cameras (visible and near infrared). Assuming a five-year mission duration, a mirror size of 1.5 m and a 0.5 deg2 FOV with a visible pixel scale of 0.15'', we found that a homogeneous survey reaching a survey population of IAB = 25.6 (10σ) with a sky coverage of ~11 000 deg2 maximizes the weak lensing FoM. The effective number density of galaxies used for WL is then ~45 gal/arcmin2, which is at least a factor of two higher than ground-based surveys. Conclusions: This study demonstrates that a full account of the observational strategy is required to properly optimize the instrument parameters and maximize the FoM of the future weak-lensing space dark energy mission.

NLSCIDNT user's guide maximum likehood parameter identification computer program with nonlinear rotorcraft model

NASA Technical Reports Server (NTRS)

1979-01-01

A nonlinear, maximum likelihood, parameter identification computer program (NLSCIDNT) is described which evaluates rotorcraft stability and control coefficients from flight test data. The optimal estimates of the parameters (stability and control coefficients) are determined (identified) by minimizing the negative log likelihood cost function. The minimization technique is the Levenberg-Marquardt method, which behaves like the steepest descent method when it is far from the minimum and behaves like the modified Newton-Raphson method when it is nearer the minimum. Twenty-one states and 40 measurement variables are modeled, and any subset may be selected. States which are not integrated may be fixed at an input value, or time history data may be substituted for the state in the equations of motion. Any aerodynamic coefficient may be expressed as a nonlinear polynomial function of selected 'expansion variables'.

The use of many-body expansions and geometry optimizations in fragment-based methods.

PubMed

Fedorov, Dmitri G; Asada, Naoya; Nakanishi, Isao; Kitaura, Kazuo

2014-09-16

Conspectus Chemists routinely work with complex molecular systems: solutions, biochemical molecules, and amorphous and composite materials provide some typical examples. The questions one often asks are what are the driving forces for a chemical phenomenon? How reasonable are our views of chemical systems in terms of subunits, such as functional groups and individual molecules? How can one quantify the difference in physicochemical properties of functional units found in a different chemical environment? Are various effects on functional units in molecular systems additive? Can they be represented by pairwise potentials? Are there effects that cannot be represented in a simple picture of pairwise interactions? How can we obtain quantitative values for these effects? Many of these questions can be formulated in the language of many-body effects. They quantify the properties of subunits (fragments), referred to as one-body properties, pairwise interactions (two-body properties), couplings of two-body interactions described by three-body properties, and so on. By introducing the notion of fragments in the framework of quantum chemistry, one obtains two immense benefits: (a) chemists can finally relate to quantum chemistry, which now speaks their language, by discussing chemically interesting subunits and their interactions and (b) calculations become much faster due to a reduced computational scaling. For instance, the somewhat academic sounding question of the importance of three-body effects in water clusters is actually another way of asking how two hydrogen bonds affect each other, when they involve three water molecules. One aspect of this is the many-body charge transfer (CT), because the charge transfers in the two hydrogen bonds are coupled to each other (not independent). In this work, we provide a generalized view on the use of many-body expansions in fragment-based methods, focusing on the general aspects of the property expansion and a contraction of a many-body expansion in a formally two-body series, as exemplified in the development of the fragment molecular orbital (FMO) method. Fragment-based methods have been very successful in delivering the properties of fragments, as well as the fragment interactions, providing insights into complex chemical processes in large molecular systems. We briefly review geometry optimizations performed with fragment-based methods and present an efficient geometry optimization method based on the combination of FMO with molecular mechanics (MM), applied to the complex of a subunit of protein kinase 2 (CK2) with a ligand. FMO results are discussed in comparison with experimental and MM-optimized structures.

A Versatile Nonlinear Method for Predictive Modeling

NASA Technical Reports Server (NTRS)

Liou, Meng-Sing; Yao, Weigang

2015-01-01

As computational fluid dynamics techniques and tools become widely accepted for realworld practice today, it is intriguing to ask: what areas can it be utilized to its potential in the future. Some promising areas include design optimization and exploration of fluid dynamics phenomena (the concept of numerical wind tunnel), in which both have the common feature where some parameters are varied repeatedly and the computation can be costly. We are especially interested in the need for an accurate and efficient approach for handling these applications: (1) capturing complex nonlinear dynamics inherent in a system under consideration and (2) versatility (robustness) to encompass a range of parametric variations. In our previous paper, we proposed to use first-order Taylor expansion collected at numerous sampling points along a trajectory and assembled together via nonlinear weighting functions. The validity and performance of this approach was demonstrated for a number of problems with a vastly different input functions. In this study, we are especially interested in enhancing the method's accuracy; we extend it to include the second-orer Taylor expansion, which however requires a complicated evaluation of Hessian matrices for a system of equations, like in fluid dynamics. We propose a method to avoid these Hessian matrices, while maintaining the accuracy. Results based on the method are presented to confirm its validity.

Multibody local approximation: Application to conformational entropy calculations on biomolecules

NASA Astrophysics Data System (ADS)

Suárez, Ernesto; Suárez, Dimas

2012-08-01

Multibody type expansions like mutual information expansions are widely used for computing or analyzing properties of large composite systems. The power of such expansions stems from their generality. Their weaknesses, however, are the large computational cost of including high order terms due to the combinatorial explosion and the fact that truncation errors do not decrease strictly with the expansion order. Herein, we take advantage of the redundancy of multibody expansions in order to derive an efficient reformulation that captures implicitly all-order correlation effects within a given cutoff, avoiding the combinatory explosion. This approach, which is cutoff dependent rather than order dependent, keeps the generality of the original expansions and simultaneously mitigates their limitations provided that a reasonable cutoff can be used. An application of particular interest can be the computation of the conformational entropy of flexible peptide molecules from molecular dynamics trajectories. By combining the multibody local estimations of conformational entropy with average values of the rigid-rotor and harmonic-oscillator entropic contributions, we obtain by far a tighter upper bound of the absolute entropy than the one obtained by the broadly used quasi-harmonic method.

Multibody local approximation: application to conformational entropy calculations on biomolecules.

PubMed

Suárez, Ernesto; Suárez, Dimas

2012-08-28

Multibody type expansions like mutual information expansions are widely used for computing or analyzing properties of large composite systems. The power of such expansions stems from their generality. Their weaknesses, however, are the large computational cost of including high order terms due to the combinatorial explosion and the fact that truncation errors do not decrease strictly with the expansion order. Herein, we take advantage of the redundancy of multibody expansions in order to derive an efficient reformulation that captures implicitly all-order correlation effects within a given cutoff, avoiding the combinatory explosion. This approach, which is cutoff dependent rather than order dependent, keeps the generality of the original expansions and simultaneously mitigates their limitations provided that a reasonable cutoff can be used. An application of particular interest can be the computation of the conformational entropy of flexible peptide molecules from molecular dynamics trajectories. By combining the multibody local estimations of conformational entropy with average values of the rigid-rotor and harmonic-oscillator entropic contributions, we obtain by far a tighter upper bound of the absolute entropy than the one obtained by the broadly used quasi-harmonic method.

Zambia : long-term generation expansion study - executive summary.

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

Conzelmann, G.; Koritarov, V.; Buehring, W.

2008-02-28

The objective of this study is to analyze possible long-term development options of the Zambian electric power system in the period up to 2015. The analysis involved the hydro operations studies of the Zambezi river basin and the systems planning studies for the least-cost generation expansion planning. Two well-known and widely accepted computer models were used in the analysis: PC-VALORAGUA model for the hydro operations and optimization studies and the WASP-III Plus model for the optimization of long-term system development. The WASP-III Plus model is a part of the Argonne National Laboratory's Energy and Power Evaluation Model (ENPEP). The analysismore » was conducted in close collaboration with the Zambia Electricity Supply Corporation (ZESCO). On the initiative from The World Bank, the sponsor of the study, ZESCO formed a team of experts that participated in the analysis and were trained in the use of computer models. Both models were transferred to ZESCO free of charge and installed on several computers in the ZESCO corporate offices in Lusaka. In September-October 1995, two members of the ZESCO National Team participated in a 4-week training course at Argonne National Laboratory near Chicago, U.S.A., focusing on the long-term system expansion planning using the WASP and VALORAGUA models. The hydropower operations studies were performed for the whole Zambezi river basin, including the full installation of the Kariba power station, and the Cahora Bassa hydro power station in Mozambique. The analysis also included possible future projects such as Itezhi-Tezhi, Kafue Gorge Lower, and Batoka Gorge power stations. As hydropower operations studies served to determine the operational characteristics of the existing and future hydro power plants, it was necessary to simulate the whole Zambezi river basin in order to take into account all interactions and mutual influences between the hydro power plants. In addition, it allowed for the optimization of reservoir management and optimization of hydro cascades, resulting in the better utilization of available hydro potential. Numerous analyses were performed for different stages of system development. These include system configurations that correspond to years 1997, 2001, 2015 and 2020. Additional simulations were performed in order to determine the operational parameters of the three existing hydro power stations Victoria Falls, Kariba, and Kafue Gorge Upper, that correspond to the situation before and after their rehabilitation. The rehabilitation works for these three major power stations, that would bring their operational parameters and availability back to the design level, are planned to be carried out in the period until 2000. The main results of the hydro operations studies are presented in Table ES-1. These results correspond to VALORAGUA simulations of system configurations in the years 2001 and 2015. The minimum, average, and maximum electricity generation is based on the simulation of monthly water inflows that correspond to the chronological series of unregulated water inflows at each hydro profile in the period from April 1961 to March 1990. The recommended hydrology dataset provided in the Hydrology Report of the SADC Energy Project AAA 3.8 was used for this study.« less

Aggressive plaque modification with rotational atherectomy and cutting balloon for optimal stent expansion in calcified lesions

PubMed Central

Tang, Zhe; Bai, Jing; Su, Shao-Ping; Lee, Pui-Wai; Peng, Liang; Zhang, Tao; Sun, Ting; Nong, Jing-Guo; Li, Tian-De; Wang, Yu

2016-01-01

Objective To evaluate the factors affecting optimal stent expansion in calcified lesions treated by aggressive plaque modification with rotational atherectomy (RA) and a cutting balloon (CB). Methods From January 2014 to May 2015, 92 patients with moderate to severe coronary calcified lesions underwent rotational atherectomy and intravascular ultrasound imaging at Chinese PLA General Hospital (Beijing, China) were included in this study. They were divided into a rotational artherectomy combined with cutting balloon (RACB) group (46 patients treated with RA followed by CB angioplasty) and an RA group (46 patients treated with RA followed by plain balloon angioplasty). Another 40 patients with similar severity of their calcified lesions treated with plain old balloon angioplasty (POBA) were demographically matched to the other groups and defined as the POBA group. All patients received a drug-eluting stent after plaque preparation. Lumen diameter and lumen diameter stenosis (LDS) were measured by quantitative coronary angiography at baseline, after RA, after dilatation, and after stenting. Optimal stent expansion was defined as the final LDS < 10%. Results The initial and post-RA LDS values were similar among the three groups. However, after dilatation, the LDS significantly decreased in the RACB group (from 54.5% ± 8.9% to 36.1% ± 7.1%) but only moderately decreased (from 55.7% ± 7.8% to 46.9% ± 9.4%) in the RA group (time × group, P < 0.001). After stenting, there was a higher rate of optimal stent expansion in the RACB group (71.7% in the RACB group, 54.5% in the RA group, and 15% in the POBA group, P < 0.001), and the final LDS was significantly diminished in the RACB group compared to the other two groups (6.0% ± 2.3%, 10.8% ± 3.3%, 12.7% ± 2.1%, P < 0.001). Moreover, an LDS ≤ 40% after plaque preparation (OR = 2.994, 95% CI: 1.297–6.911) was associated with optimal stent expansion, which also had a positive correlation with the appearance of a calcified ring split (r = 0.581, P < 0.001). Conclusions Aggressive plaque modification with RA and CB achieve more optimal stent expansion. An LDS ≤ 40% after plaque modification was a predictive factor for optimal stent expansion in calcified lesions. This parameter was also associated with the presence of calcified ring split. PMID:28321242

Evaluation of a finite multipole expansion technique for the computation of electrostatic potentials of dibenzo-p-dioxins and related systems

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

Murray, J.S.; Grice, M.E.; Politzer, P.

1990-01-01

The electrostatic potential V(r) that the nuclei and electrons of a molecule create in the surrounding space is well established as a guide in the study of molecular reactivity, and particularly, of biological recognition processes. Its rigorous computation is, however, very demanding of computer time for large molecules, such as those of interest in recognition interactions. The authors have accordingly investigated the use of an approximate finite multicenter multipole expansion technique to determine its applicability for producing reliable electrostatic potentials of dibenzo-p-dioxins and related molecules, with significantly reduced amounts of computer time, at distances of interest in recognition studies. Amore » comparative analysis of the potentials of three dibenzo-q-dioxins and a substituted naphthalene molecule computed using both the multipole expansion technique and GAUSSIAN 82 at the STO-5G level has been carried out. Overall they found that regions of negative and positive V(r) at 1.75 A above the molecular plane are very well reproduced by the multipole expansion technique, with up to a twenty-fold improvement in computer time.« less

Future earth orbit transportation systems/technology implications

NASA Technical Reports Server (NTRS)

Henry, B. Z.; Decker, J. P.

1976-01-01

Assuming Space Shuttle technology to be state-of-the-art, projected technological advances to improve the capabilities of single-stage-to-orbit (SSTO) derivatives are examined. An increase of about 30% in payload performance can be expected from upgrading the present Shuttle system through weight and drag reductions and improvements in the propellants and engines. The ODINEX (Optimal Design Integration Executive Computer Program) program has been used to explore design options. An advanced technology SSTO baseline system derived from ODINEX analysis has a conventional wing-body configuration using LOX/LH engines, three with two-position nozzles with expansion ratios of 40 and 200 and four with fixed nozzles with an expansion ratio of 40. Two assisted-takeoff approaches are under consideration in addition to a concept in which the orbital vehicle takes off empty using airbreathing propulsion and carries out a rendezvous with two large cryogenic tankers carrying propellant at an altitude of 6100 m. Further approaches under examination for propulsion, aerothermodynamic design, and design integration are described.

Kodiak: An Implementation Framework for Branch and Bound Algorithms

NASA Technical Reports Server (NTRS)

Smith, Andrew P.; Munoz, Cesar A.; Narkawicz, Anthony J.; Markevicius, Mantas

2015-01-01

Recursive branch and bound algorithms are often used to refine and isolate solutions to several classes of global optimization problems. A rigorous computation framework for the solution of systems of equations and inequalities involving nonlinear real arithmetic over hyper-rectangular variable and parameter domains is presented. It is derived from a generic branch and bound algorithm that has been formally verified, and utilizes self-validating enclosure methods, namely interval arithmetic and, for polynomials and rational functions, Bernstein expansion. Since bounds computed by these enclosure methods are sound, this approach may be used reliably in software verification tools. Advantage is taken of the partial derivatives of the constraint functions involved in the system, firstly to reduce the branching factor by the use of bisection heuristics and secondly to permit the computation of bifurcation sets for systems of ordinary differential equations. The associated software development, Kodiak, is presented, along with examples of three different branch and bound problem types it implements.

Rational positive real approximations for LQG optimal compensators arising in active stabilization of flexible structures

NASA Technical Reports Server (NTRS)

Desantis, A.

1994-01-01

In this paper the approximation problem for a class of optimal compensators for flexible structures is considered. The particular case of a simply supported truss with an offset antenna is dealt with. The nonrational positive real optimal compensator transfer function is determined, and it is proposed that an approximation scheme based on a continued fraction expansion method be used. Comparison with the more popular modal expansion technique is performed in terms of stability margin and parameters sensitivity of the relative approximated closed loop transfer functions.

Optimal Expansion of a Drinking Water Infrastructure System with Respect to Carbon Footprint, Cost Effectiveness and Water Demand

EPA Science Inventory

Urban water infrastructure requires careful long-term expansion planning to reduce the risk from climate change during both the periods of economic boom and recession. As part of the adaptation management strategies, capacity expansion in concert with other management alternativ...

Stents: Biomechanics, Biomaterials, and Insights from Computational Modeling.

PubMed

Karanasiou, Georgia S; Papafaklis, Michail I; Conway, Claire; Michalis, Lampros K; Tzafriri, Rami; Edelman, Elazer R; Fotiadis, Dimitrios I

2017-04-01

Coronary stents have revolutionized the treatment of coronary artery disease. Improvement in clinical outcomes requires detailed evaluation of the performance of stent biomechanics and the effectiveness as well as safety of biomaterials aiming at optimization of endovascular devices. Stents need to harmonize the hemodynamic environment and promote beneficial vessel healing processes with decreased thrombogenicity. Stent design variables and expansion properties are critical for vessel scaffolding. Drug-elution from stents, can help inhibit in-stent restenosis, but adds further complexity as drug release kinetics and coating formulations can dominate tissue responses. Biodegradable and bioabsorbable stents go one step further providing complete absorption over time governed by corrosion and erosion mechanisms. The advances in computing power and computational methods have enabled the application of numerical simulations and the in silico evaluation of the performance of stent devices made up of complex alloys and bioerodible materials in a range of dimensions and designs and with the capacity to retain and elute bioactive agents. This review presents the current knowledge on stent biomechanics, stent fatigue as well as drug release and mechanisms governing biodegradability focusing on the insights from computational modeling approaches.

A Stream Tilling Approach to Surface Area Estimation for Large Scale Spatial Data in a Shared Memory System

NASA Astrophysics Data System (ADS)

Liu, Jiping; Kang, Xiaochen; Dong, Chun; Xu, Shenghua

2017-12-01

Surface area estimation is a widely used tool for resource evaluation in the physical world. When processing large scale spatial data, the input/output (I/O) can easily become the bottleneck in parallelizing the algorithm due to the limited physical memory resources and the very slow disk transfer rate. In this paper, we proposed a stream tilling approach to surface area estimation that first decomposed a spatial data set into tiles with topological expansions. With these tiles, the one-to-one mapping relationship between the input and the computing process was broken. Then, we realized a streaming framework towards the scheduling of the I/O processes and computing units. Herein, each computing unit encapsulated a same copy of the estimation algorithm, and multiple asynchronous computing units could work individually in parallel. Finally, the performed experiment demonstrated that our stream tilling estimation can efficiently alleviate the heavy pressures from the I/O-bound work, and the measured speedup after being optimized have greatly outperformed the directly parallel versions in shared memory systems with multi-core processors.

Optimization of urban water supply portfolios combining infrastructure capacity expansion and water use decisions

NASA Astrophysics Data System (ADS)

Medellin-Azuara, J.; Fraga, C. C. S.; Marques, G.; Mendes, C. A.

2015-12-01

The expansion and operation of urban water supply systems under rapidly growing demands, hydrologic uncertainty, and scarce water supplies requires a strategic combination of various supply sources for added reliability, reduced costs and improved operational flexibility. The design and operation of such portfolio of water supply sources merits decisions of what and when to expand, and how much to use of each available sources accounting for interest rates, economies of scale and hydrologic variability. The present research provides a framework and an integrated methodology that optimizes the expansion of various water supply alternatives using dynamic programming and combining both short term and long term optimization of water use and simulation of water allocation. A case study in Bahia Do Rio Dos Sinos in Southern Brazil is presented. The framework couples an optimization model with quadratic programming model in GAMS with WEAP, a rain runoff simulation models that hosts the water supply infrastructure features and hydrologic conditions. Results allow (a) identification of trade offs between cost and reliability of different expansion paths and water use decisions and (b) evaluation of potential gains by reducing water system losses as a portfolio component. The latter is critical in several developing countries where water supply system losses are high and often neglected in favor of more system expansion. Results also highlight the potential of various water supply alternatives including, conservation, groundwater, and infrastructural enhancements over time. The framework proves its usefulness for planning its transferability to similarly urbanized systems.

Morphologic changes of the nasal cavity induced by rapid maxillary expansion: a study on 3-dimensional computed tomography models.

PubMed

Haralambidis, Adam; Ari-Demirkaya, Arzu; Acar, Ahu; Küçükkeleş, Nazan; Ateş, Mustafa; Ozkaya, Selin

2009-12-01

The aim of this study was to evaluate the effect of rapid maxillary expansion on the volume of the nasal cavity by using computed tomography. The sample consisted of 24 patients (10 boys, 14 girls) in the permanent dentition who had maxillary constriction and bilateral posterior crossbite. Ten patients had skeletal Class I and 14 had Class II relationships. Skeletal maturity was assessed with the modified cervical vertebral maturation method. Computed tomograms were taken before expansion and at the end of the 3-month retention period, after active expansion. The tomograms were analyzed by Mimics software (version 10.11, Materialise Medical Co, Leuven, Belgium) to reconstruct 3-dimensional images and calculate the volume of the nasal cavities before and after expansion. A significant (P = 0.000) average increase of 11.3% in nasal volume was found. Sex, growth, and skeletal relationship did not influence measurements or response to treatment. A significant difference was found in the volume increase between the Class I and Class II patients, but it was attributed to the longer expansion period of the latter. Therefore, rapid maxillary expansion induces a significant average increase of the nasal volume and consequently can increase nasal permeability and establish a predominant nasal respiration pattern.

Machine Learning to Discover and Optimize Materials

NASA Astrophysics Data System (ADS)

Rosenbrock, Conrad Waldhar

For centuries, scientists have dreamed of creating materials by design. Rather than discovery by accident, bespoke materials could be tailored to fulfill specific technological needs. Quantum theory and computational methods are essentially equal to the task, and computational power is the new bottleneck. Machine learning has the potential to solve that problem by approximating material behavior at multiple length scales. A full end-to-end solution must allow us to approximate the quantum mechanics, microstructure and engineering tasks well enough to be predictive in the real world. In this dissertation, I present algorithms and methodology to address some of these problems at various length scales. In the realm of enumeration, systems with many degrees of freedom such as high-entropy alloys may contain prohibitively many unique possibilities so that enumerating all of them would exhaust available compute memory. One possible way to address this problem is to know in advance how many possibilities there are so that the user can reduce their search space by restricting the occupation of certain lattice sites. Although tools to calculate this number were available, none performed well for very large systems and none could easily be integrated into low-level languages for use in existing scientific codes. I present an algorithm to solve these problems. Testing the robustness of machine-learned models is an essential component in any materials discovery or optimization application. While it is customary to perform a small number of system-specific tests to validate an approach, this may be insufficient in many cases. In particular, for Cluster Expansion models, the expansion may not converge quickly enough to be useful and reliable. Although the method has been used for decades, a rigorous investigation across many systems to determine when CE "breaks" was still lacking. This dissertation includes this investigation along with heuristics that use only a small training database to predict whether a model is worth pursuing in detail. To be useful, computational materials discovery must lead to experimental validation. However, experiments are difficult due to sample purity, environmental effects and a host of other considerations. In many cases, it is difficult to connect theory to experiment because computation is deterministic. By combining advanced group theory with machine learning, we created a new tool that bridges the gap between experiment and theory so that experimental and computed phase diagrams can be harmonized. Grain boundaries in real materials control many important material properties such as corrosion, thermal conductivity, and creep. Because of their high dimensionality, learning the underlying physics to optimizing grain boundaries is extremely complex. By leveraging a mathematically rigorous representation for local atomic environments, machine learning becomes a powerful tool to approximate properties for grain boundaries. But it also goes beyond predicting properties by highlighting those atomic environments that are most important for influencing the boundary properties. This provides an immense dimensionality reduction that empowers grain boundary scientists to know where to look for deeper physical insights.

ELSI: A unified software interface for Kohn–Sham electronic structure solvers

DOE PAGES

Yu, Victor Wen-zhe; Corsetti, Fabiano; Garcia, Alberto; ...

2017-09-15

Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn-Sham density-functional theory. This problem must be addressed by essentially all current electronic structure codes, based on similar matrix expressions, and by high-performance computation. We here present a unified software interface, ELSI, to access different strategies that address the Kohn-Sham eigenvalue problem. Currently supported algorithms include the dense generalized eigensolver library ELPA, the orbital minimization method implemented in libOMM, and the pole expansion and selected inversion (PEXSI) approach with lower computational complexity for semilocal density functionals. The ELSI interface aimsmore » to simplify the implementation and optimal use of the different strategies, by offering (a) a unified software framework designed for the electronic structure solvers in Kohn-Sham density-functional theory; (b) reasonable default parameters for a chosen solver; (c) automatic conversion between input and internal working matrix formats, and in the future (d) recommendation of the optimal solver depending on the specific problem. As a result, comparative benchmarks are shown for system sizes up to 11,520 atoms (172,800 basis functions) on distributed memory supercomputing architectures.« less

ELSI: A unified software interface for Kohn-Sham electronic structure solvers

NASA Astrophysics Data System (ADS)

Yu, Victor Wen-zhe; Corsetti, Fabiano; García, Alberto; Huhn, William P.; Jacquelin, Mathias; Jia, Weile; Lange, Björn; Lin, Lin; Lu, Jianfeng; Mi, Wenhui; Seifitokaldani, Ali; Vázquez-Mayagoitia, Álvaro; Yang, Chao; Yang, Haizhao; Blum, Volker

2018-01-01

Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn-Sham density-functional theory. This problem must be addressed by essentially all current electronic structure codes, based on similar matrix expressions, and by high-performance computation. We here present a unified software interface, ELSI, to access different strategies that address the Kohn-Sham eigenvalue problem. Currently supported algorithms include the dense generalized eigensolver library ELPA, the orbital minimization method implemented in libOMM, and the pole expansion and selected inversion (PEXSI) approach with lower computational complexity for semilocal density functionals. The ELSI interface aims to simplify the implementation and optimal use of the different strategies, by offering (a) a unified software framework designed for the electronic structure solvers in Kohn-Sham density-functional theory; (b) reasonable default parameters for a chosen solver; (c) automatic conversion between input and internal working matrix formats, and in the future (d) recommendation of the optimal solver depending on the specific problem. Comparative benchmarks are shown for system sizes up to 11,520 atoms (172,800 basis functions) on distributed memory supercomputing architectures.

ELSI: A unified software interface for Kohn–Sham electronic structure solvers

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

Yu, Victor Wen-zhe; Corsetti, Fabiano; Garcia, Alberto

Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn-Sham density-functional theory. This problem must be addressed by essentially all current electronic structure codes, based on similar matrix expressions, and by high-performance computation. We here present a unified software interface, ELSI, to access different strategies that address the Kohn-Sham eigenvalue problem. Currently supported algorithms include the dense generalized eigensolver library ELPA, the orbital minimization method implemented in libOMM, and the pole expansion and selected inversion (PEXSI) approach with lower computational complexity for semilocal density functionals. The ELSI interface aimsmore » to simplify the implementation and optimal use of the different strategies, by offering (a) a unified software framework designed for the electronic structure solvers in Kohn-Sham density-functional theory; (b) reasonable default parameters for a chosen solver; (c) automatic conversion between input and internal working matrix formats, and in the future (d) recommendation of the optimal solver depending on the specific problem. As a result, comparative benchmarks are shown for system sizes up to 11,520 atoms (172,800 basis functions) on distributed memory supercomputing architectures.« less

AUTOMATIC GENERATION OF FFT FOR TRANSLATIONS OF MULTIPOLE EXPANSIONS IN SPHERICAL HARMONICS

PubMed Central

Mirkovic, Dragan; Pettitt, B. Montgomery; Johnsson, S. Lennart

2009-01-01

The fast multipole method (FMM) is an efficient algorithm for calculating electrostatic interactions in molecular simulations and a promising alternative to Ewald summation methods. Translation of multipole expansion in spherical harmonics is the most important operation of the fast multipole method and the fast Fourier transform (FFT) acceleration of this operation is among the fastest methods of improving its performance. The technique relies on highly optimized implementation of fast Fourier transform routines for the desired expansion sizes, which need to incorporate the knowledge of symmetries and zero elements in the input arrays. Here a method is presented for automatic generation of such, highly optimized, routines. PMID:19763233

Optimal ex vivo expansion of neutrophils from PBSC CD34+ cells by a combination of SCF, Flt3-L and G-CSF and its inhibition by further addition of TPO.

PubMed

Tura, Olga; Barclay, G Robin; Roddie, Huw; Davies, John; Turner, Marc L

2007-10-30

Autologous mobilised peripheral blood stem cell (PBSC) transplantation is now a standard approach in the treatment of haematological diseases to reconstitute haematopoiesis following myeloablative chemotherapy. However, there remains a period of severe neutropenia and thrombocytopenia before haematopoietic reconstitution is achieved. Ex vivo expanded PBSC have been employed as an adjunct to unmanipulated HSC transplantation, but have tended to be produced using complex cytokine mixtures aimed at multilineage (neutrophil and megakaryocyte) progenitor expansion. These have been reported to reduce or abrogate neutropenia but have little major effect on thrombocytopenia. Selective megakaryocyte expansion has been to date ineffective in reducing thrombocytopenia. This study was implemented to evaluate neutrophil specific rather than multilineage ex vivo expansion of PBSC for specifically focusing on reduction or abrogation of neutropenia. CD34+ cells (PBSC) were enriched from peripheral blood mononuclear cells following G-CSF-mobilisation and cultured with different permutations of cytokines to determine optimal cytokine combinations and doses for expansion and functional differentiation and maturation of neutrophils and their progenitors. Results were assessed by cell number, morphology, phenotype and function. A simple cytokine combination, SCF + Flt3-L + G-CSF, synergised to optimally expand and mature neutrophil progenitors assessed by cell number, phenotype, morphology and function (superoxide respiratory burst measured by chemiluminescence). G-CSF appears mandatory for functional maturation. Addition of other commonly employed cytokines, IL-3 and IL-6, had no demonstrable additive effect on numbers or function compared to this optimal combination. Addition of TPO, commonly included in multilineage progenitor expansion for development of megakaryocytes, reduced the maturation of neutrophil progenitors as assessed by number, morphology and function (respiratory burst activity). Given that platelet transfusion support is available for autologous PBSC transplantation but granulocyte transfusion is generally lacking, and that multilineage expanded PBSC do not reduce thrombocytopenia, we suggest that instead of multilineage expansion selective neutrophil expansion based on this relatively simple cytokine combination might be prioritized for development for clinical use as an adjunct to unmanipulated PBSC transplantation to reduce or abrogate post-transplant neutropenia.

Pixel-based OPC optimization based on conjugate gradients.

PubMed

Ma, Xu; Arce, Gonzalo R

2011-01-31

Optical proximity correction (OPC) methods are resolution enhancement techniques (RET) used extensively in the semiconductor industry to improve the resolution and pattern fidelity of optical lithography. In pixel-based OPC (PBOPC), the mask is divided into small pixels, each of which is modified during the optimization process. Two critical issues in PBOPC are the required computational complexity of the optimization process, and the manufacturability of the optimized mask. Most current OPC optimization methods apply the steepest descent (SD) algorithm to improve image fidelity augmented by regularization penalties to reduce the complexity of the mask. Although simple to implement, the SD algorithm converges slowly. The existing regularization penalties, however, fall short in meeting the mask rule check (MRC) requirements often used in semiconductor manufacturing. This paper focuses on developing OPC optimization algorithms based on the conjugate gradient (CG) method which exhibits much faster convergence than the SD algorithm. The imaging formation process is represented by the Fourier series expansion model which approximates the partially coherent system as a sum of coherent systems. In order to obtain more desirable manufacturability properties of the mask pattern, a MRC penalty is proposed to enlarge the linear size of the sub-resolution assistant features (SRAFs), as well as the distances between the SRAFs and the main body of the mask. Finally, a projection method is developed to further reduce the complexity of the optimized mask pattern.

Compressive sampling of polynomial chaos expansions: Convergence analysis and sampling strategies

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

Hampton, Jerrad; Doostan, Alireza, E-mail: alireza.doostan@colorado.edu

2015-01-01

Sampling orthogonal polynomial bases via Monte Carlo is of interest for uncertainty quantification of models with random inputs, using Polynomial Chaos (PC) expansions. It is known that bounding a probabilistic parameter, referred to as coherence, yields a bound on the number of samples necessary to identify coefficients in a sparse PC expansion via solution to an ℓ{sub 1}-minimization problem. Utilizing results for orthogonal polynomials, we bound the coherence parameter for polynomials of Hermite and Legendre type under their respective natural sampling distribution. In both polynomial bases we identify an importance sampling distribution which yields a bound with weaker dependence onmore » the order of the approximation. For more general orthonormal bases, we propose the coherence-optimal sampling: a Markov Chain Monte Carlo sampling, which directly uses the basis functions under consideration to achieve a statistical optimality among all sampling schemes with identical support. We demonstrate these different sampling strategies numerically in both high-order and high-dimensional, manufactured PC expansions. In addition, the quality of each sampling method is compared in the identification of solutions to two differential equations, one with a high-dimensional random input and the other with a high-order PC expansion. In both cases, the coherence-optimal sampling scheme leads to similar or considerably improved accuracy.« less

Advances in computer-aided well-test interpretation

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

Horne, R.N.

1994-07-01

Despite the feeling expressed several times over the past 40 years that well-test analysis had reached it peak development, an examination of recent advances shows continuous expansion in capability, with future improvement likely. The expansion in interpretation capability over the past decade arose mainly from the development of computer-aided techniques, which, although introduced 20 years ago, have come into use only recently. The broad application of computer-aided interpretation originated with the improvement of the methodologies and continued with the expansion in computer access and capability that accompanied the explosive development of the microcomputer industry. This paper focuses on the differentmore » pieces of the methodology that combine to constitute a computer-aided interpretation and attempts to compare some of the approaches currently used. Future directions of the approach are also discussed. The separate areas discussed are deconvolution, pressure derivatives, model recognition, nonlinear regression, and confidence intervals.« less

Epitaxial phase diagrams of SrTiO3, CaTiO3, and SrHfO3: Computational investigation including the role of antiferrodistortive and A -site displacement modes

NASA Astrophysics Data System (ADS)

Angsten, Thomas; Asta, Mark

2018-04-01

Ground-state epitaxial phase diagrams are calculated by density functional theory (DFT) for SrTiO3, CaTiO3, and SrHfO3 perovskite-based compounds, accounting for the effects of antiferrodistortive and A -site displacement modes. Biaxial strain states corresponding to epitaxial growth of (001)-oriented films are considered, with misfit strains ranging between -4 % and 4%. Ground-state structures are determined using a computational procedure in which input structures for DFT optimizations are identified as local minima in expansions of the total energy with respect to strain and soft-mode degrees of freedom. Comparison to results of previous DFT studies demonstrates the effectiveness of the computational approach in predicting ground-state phases. The calculated results show that antiferrodistortive octahedral rotations and associated A -site displacement modes act to suppress polarization and reduce the epitaxial strain energy. A projection of calculated atomic displacements in the ground-state epitaxial structures onto soft-mode eigenvectors shows that three ferroelectric and six antiferrodistortive displacement modes are dominant at all misfit strains considered, with the relative contributions from each varying systematically with the strain. Additional A -site displacement modes contribute to the atomic displacements in CaTiO3 and SrHfO3, which serve to optimize the coordination of the undersized A -site cation.

A Power Series Expansion and Its Applications

ERIC Educational Resources Information Center

Chen, Hongwei

2006-01-01

Using the power series solution of a differential equation and the computation of a parametric integral, two elementary proofs are given for the power series expansion of (arcsin x)[squared], as well as some applications of this expansion.

Approximate optimal guidance for the advanced launch system

NASA Technical Reports Server (NTRS)

Feeley, T. S.; Speyer, J. L.

1993-01-01

A real-time guidance scheme for the problem of maximizing the payload into orbit subject to the equations of motion for a rocket over a spherical, non-rotating earth is presented. An approximate optimal launch guidance law is developed based upon an asymptotic expansion of the Hamilton - Jacobi - Bellman or dynamic programming equation. The expansion is performed in terms of a small parameter, which is used to separate the dynamics of the problem into primary and perturbation dynamics. For the zeroth-order problem the small parameter is set to zero and a closed-form solution to the zeroth-order expansion term of Hamilton - Jacobi - Bellman equation is obtained. Higher-order terms of the expansion include the effects of the neglected perturbation dynamics. These higher-order terms are determined from the solution of first-order linear partial differential equations requiring only the evaluation of quadratures. This technique is preferred as a real-time, on-line guidance scheme to alternative numerical iterative optimization schemes because of the unreliable convergence properties of these iterative guidance schemes and because the quadratures needed for the approximate optimal guidance law can be performed rapidly and by parallel processing. Even if the approximate solution is not nearly optimal, when using this technique the zeroth-order solution always provides a path which satisfies the terminal constraints. Results for two-degree-of-freedom simulations are presented for the simplified problem of flight in the equatorial plane and compared to the guidance scheme generated by the shooting method which is an iterative second-order technique.

An economic prefeasibility study of geothermal energy development at Platanares, Honduras. Estudio economico de prefactibilidad del desarrollo de energia geotermica en Platanares, Honduras

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

Trocki, L.K.

1989-09-01

The expected economic benefits from development of a geothermal power plant at Platanares in the Department of Copan, Honduras are evaluated in this report. The economic benefits of geothermal plants ranging in size from a 10-MW plant in the shallow reservoir to a 20-, 30-, 55-, or 110-MW plant in the assumed deeper reservoir were measured by computing optimal expansion plans for each size of geothermal plant. Savings are computed as the difference in present value cost between a plan that contains no geothermal plant and one that does. Present value savings in millions of 1987 dollars range from $25more » million for the 10-MW plant to $110 million for the 110-MW plant -- savings of 6% to 25% over the time period 1988 through 2008. 8 refs., 9 figs., 6 tabs.« less

Dimensional changes of upper airway after rapid maxillary expansion: a prospective cone-beam computed tomography study.

PubMed

Chang, Yoon; Koenig, Lisa J; Pruszynski, Jessica E; Bradley, Thomas G; Bosio, Jose A; Liu, Dawei

2013-04-01

The aim of this prospective study was to use cone-beam computed tomography to assess the dimensional changes of the upper airway in orthodontic patients with maxillary constriction treated by rapid maxillary expansion. Fourteen orthodontic patients (mean age, 12.9 years; range, 9.7-16 years) were recruited. The patients with posterior crossbite and constricted maxilla were treated with rapid maxillary expansion as the initial part of their comprehensive orthodontic treatments. Before and after rapid maxillary expansion cone-beam computed tomography scans were taken to measure the retropalatal and retroglossal airway changes in terms of volume, and sagittal and cross-sectional areas. The transverse expansions by rapid maxillary expansion were assessed between the midlingual alveolar bone plates at the maxillary first molar and first premolar levels. The measurements of the before and after rapid maxillary expansion scans were compared by using paired t tests with the Bonferroni adjustment for multiple comparisons. After rapid maxillary expansion, significant and equal amounts of 4.8 mm of expansion were observed at the first molar (P = 0.0000) and the first premolar (P = 0.0000) levels. The width increase at the first premolar level (20.0%) was significantly greater than that at the first molar level (15.0%) (P = 0.035). As the primary outcome variable, the cross-sectional airway measured from the posterior nasal spine to basion level was the only parameter showing a significant increase of 99.4 mm(2) (59.6%) after rapid maxillary expansion (P = 0.0004). These results confirm the findings of previous studies of the effect of rapid maxillary expansion on the maxilla. Additionally, we found that only the cross-sectional area of the upper airway at the posterior nasal spine to basion level significantly gains a moderate increase after rapid maxillary expansion. Copyright © 2013 American Association of Orthodontists. Published by Mosby, Inc. All rights reserved.

Analysis of the trade-off between high crop yield and low yield instability at the global scale

NASA Astrophysics Data System (ADS)

Ben-Ari, Tamara; Makowski, David

2016-10-01

Yield dynamics of major crops species vary remarkably among continents. Worldwide distribution of cropland influences both the expected levels and the interannual variability of global yields. An expansion of cultivated land in the most productive areas could theoretically increase global production, but also increase global yield instability if the most productive regions are characterized by high interannual yield variability. In this letter, we use portfolio analysis to quantify the tradeoff between the expected values and the interannual variance of global yield. We compute optimal frontiers for four crop species i.e., maize, rice, soybean and wheat and show how the distribution of cropland among large world regions can be optimized to either increase expected global crop production or decrease its interannual variability. We also show that a preferential allocation of cropland in the most productive regions can increase global expected yield at the expense of yield stability. Theoretically, optimizing the distribution of a small fraction of total cultivated areas can help find a good compromise between low instability and high crop yields at the global scale.

Evaluating MRI based vascular wall motion as a biomarker of Fontan hemodynamic performance

NASA Astrophysics Data System (ADS)

Menon, Prahlad G.; Hong, Haifa

2015-03-01

The Fontan procedure for single-ventricle heart disease involves creation of pathways to divert venous blood from the superior & inferior venacavae (SVC, IVC) directly into the pulmonary arteries (PA), bypassing the right ventricle. For optimal surgical outcomes, venous flow energy loss in the resulting vascular construction must be minimized and ensuring close to equal flow distribution from the Fontan conduit connecting IVC to the left & right PA is paramount. This requires patient-specific hemodynamic evaluation using computational fluid dynamics (CFD) simulations which are often time and resource intensive, limiting applicability for real-time patient management in the clinic. In this study, we report preliminary efforts at identifying a new non-invasive imaging based surrogate for CFD simulated hemodynamics. We establish correlations between computed hemodynamic criteria from CFD modeling and cumulative wall displacement characteristics of the Fontan conduit quantified from cine cardiovascular MRI segmentations over time (i.e. 20 cardiac phases gated from the start of ventricular systole), in 5 unique Fontan surgical connections. To focus our attention on diameter variations while discounting side-to-side swaying motion of the Fontan conduit, the difference between its instantaneous regional expansion and inward contraction (averaged across the conduit) was computed and analyzed. Maximum Fontan conduit-average expansion over the cardiac cycle correlated with the anatomy-specific diametric offset between the axis of the IVC and SVC (r2=0.13, p=0.55) - a known factor correlated with Fontan energy loss and IVC-to-PA flow distribution. Investigation in a larger study cohort is needed to establish stronger statistical correlations.

Expert Opinion: Optimising Stent Deployment in Contemporary Practice: The Role of Intracoronary Imaging and Non-compliant Balloons.

PubMed

Seth, Ashok; Gupta, Sajal; Pratap Singh, Vivudh; Kumar, Vijay

2017-09-01

Final stent dimensions remain an important predictor of restenosis, target vessel revascularisation (TVR) and subacute stent thrombosis (ST), even in the drug-eluting stent (DES) era. Stent balloons are usually semi-compliant and thus even high-pressure inflation may not achieve uniform or optimal stent expansion. Post-dilatation with non-compliant (NC) balloons after stent deployment has been shown to enhance stent expansion and could reduce TVR and ST. Based on supporting evidence and in the absence of large prospective randomised outcome-based trials, post-dilatation with an NC balloon to achieve optimal stent expansion and maximal luminal area is a logical technical recommendation, particularly in complex lesion subsets.

Gaussian process emulators for quantifying uncertainty in CO2 spreading predictions in heterogeneous media

NASA Astrophysics Data System (ADS)

Tian, Liang; Wilkinson, Richard; Yang, Zhibing; Power, Henry; Fagerlund, Fritjof; Niemi, Auli

2017-08-01

We explore the use of Gaussian process emulators (GPE) in the numerical simulation of CO2 injection into a deep heterogeneous aquifer. The model domain is a two-dimensional, log-normally distributed stochastic permeability field. We first estimate the cumulative distribution functions (CDFs) of the CO2 breakthrough time and the total CO2 mass using a computationally expensive Monte Carlo (MC) simulation. We then show that we can accurately reproduce these CDF estimates with a GPE, using only a small fraction of the computational cost required by traditional MC simulation. In order to build a GPE that can predict the simulator output from a permeability field consisting of 1000s of values, we use a truncated Karhunen-Loève (K-L) expansion of the permeability field, which enables the application of the Bayesian functional regression approach. We perform a cross-validation exercise to give an insight of the optimization of the experiment design for selected scenarios: we find that it is sufficient to use 100s values for the size of training set and that it is adequate to use as few as 15 K-L components. Our work demonstrates that GPE with truncated K-L expansion can be effectively applied to uncertainty analysis associated with modelling of multiphase flow and transport processes in heterogeneous media.

Analysis of point-to-point lung motion with full inspiration and expiration CT data using non-linear optimization method: optimal geometric assumption model for the effective registration algorithm

NASA Astrophysics Data System (ADS)

Kim, Namkug; Seo, Joon Beom; Heo, Jeong Nam; Kang, Suk-Ho

2007-03-01

The study was conducted to develop a simple model for more robust lung registration of volumetric CT data, which is essential for various clinical lung analysis applications, including the lung nodule matching in follow up CT studies, semi-quantitative assessment of lung perfusion, and etc. The purpose of this study is to find the most effective reference point and geometric model based on the lung motion analysis from the CT data sets obtained in full inspiration (In.) and expiration (Ex.). Ten pairs of CT data sets in normal subjects obtained in full In. and Ex. were used in this study. Two radiologists were requested to draw 20 points representing the subpleural point of the central axis in each segment. The apex, hilar point, and center of inertia (COI) of each unilateral lung were proposed as the reference point. To evaluate optimal expansion point, non-linear optimization without constraints was employed. The objective function is sum of distances from the line, consist of the corresponding points between In. and Ex. to the optimal point x. By using the nonlinear optimization, the optimal points was evaluated and compared between reference points. The average distance between the optimal point and each line segment revealed that the balloon model was more suitable to explain the lung expansion model. This lung motion analysis based on vector analysis and non-linear optimization shows that balloon model centered on the center of inertia of lung is most effective geometric model to explain lung expansion by breathing.

Polarizable six-point water models from computational and empirical optimization.

PubMed

Tröster, Philipp; Lorenzen, Konstantin; Tavan, Paul

2014-02-13

Tröster et al. (J. Phys. Chem B 2013, 117, 9486-9500) recently suggested a mixed computational and empirical approach to the optimization of polarizable molecular mechanics (PMM) water models. In the empirical part the parameters of Buckingham potentials are optimized by PMM molecular dynamics (MD) simulations. The computational part applies hybrid calculations, which combine the quantum mechanical description of a H2O molecule by density functional theory (DFT) with a PMM model of its liquid phase environment generated by MD. While the static dipole moments and polarizabilities of the PMM water models are fixed at the experimental gas phase values, the DFT/PMM calculations are employed to optimize the remaining electrostatic properties. These properties cover the width of a Gaussian inducible dipole positioned at the oxygen and the locations of massless negative charge points within the molecule (the positive charges are attached to the hydrogens). The authors considered the cases of one and two negative charges rendering the PMM four- and five-point models TL4P and TL5P. Here we extend their approach to three negative charges, thus suggesting the PMM six-point model TL6P. As compared to the predecessors and to other PMM models, which also exhibit partial charges at fixed positions, TL6P turned out to predict all studied properties of liquid water at p0 = 1 bar and T0 = 300 K with a remarkable accuracy. These properties cover, for instance, the diffusion constant, viscosity, isobaric heat capacity, isothermal compressibility, dielectric constant, density, and the isobaric thermal expansion coefficient. This success concurrently provides a microscopic physical explanation of corresponding shortcomings of previous models. It uniquely assigns the failures of previous models to substantial inaccuracies in the description of the higher electrostatic multipole moments of liquid phase water molecules. Resulting favorable properties concerning the transferability to other temperatures and conditions like the melting of ice are also discussed.

Incorporating Uncertainty into Spacecraft Mission and Trajectory Design

NASA Astrophysics Data System (ADS)

Juliana D., Feldhacker

The complex nature of many astrodynamic systems often leads to high computational costs or degraded accuracy in the analysis and design of spacecraft missions, and the incorporation of uncertainty into the trajectory optimization process often becomes intractable. This research applies mathematical modeling techniques to reduce computational cost and improve tractability for design, optimization, uncertainty quantication (UQ) and sensitivity analysis (SA) in astrodynamic systems and develops a method for trajectory optimization under uncertainty (OUU). This thesis demonstrates the use of surrogate regression models and polynomial chaos expansions for the purpose of design and UQ in the complex three-body system. Results are presented for the application of the models to the design of mid-eld rendezvous maneuvers for spacecraft in three-body orbits. The models are shown to provide high accuracy with no a priori knowledge on the sample size required for convergence. Additionally, a method is developed for the direct incorporation of system uncertainties into the design process for the purpose of OUU and robust design; these methods are also applied to the rendezvous problem. It is shown that the models can be used for constrained optimization with orders of magnitude fewer samples than is required for a Monte Carlo approach to the same problem. Finally, this research considers an application for which regression models are not well-suited, namely UQ for the kinetic de ection of potentially hazardous asteroids under the assumptions of real asteroid shape models and uncertainties in the impact trajectory and the surface material properties of the asteroid, which produce a non-smooth system response. An alternate set of models is presented that enables analytic computation of the uncertainties in the imparted momentum from impact. Use of these models for a survey of asteroids allows conclusions to be drawn on the eects of an asteroid's shape on the ability to successfully divert the asteroid via kinetic impactor.

SU-E-J-120: Comparing 4D CT Computed Ventilation to Lung Function Measured with Hyperpolarized Xenon-129 MRI

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

Neal, B; Chen, Q

2015-06-15

Purpose: To correlate ventilation parameters computed from 4D CT to ventilation, profusion, and gas exchange measured with hyperpolarized Xenon-129 MRI for a set of lung cancer patients. Methods: Hyperpolarized Xe-129 MRI lung scans were acquired for lung cancer patients, before and after radiation therapy, measuring ventilation, perfusion, and gas exchange. In the standard clinical workflow, these patients also received 4D CT scans before treatment. Ventilation was computed from 4D CT using deformable image registration (DIR). All phases of the 4D CT scan were registered using a B-spline deformable registration. Ventilation at the voxel level was then computed for each phasemore » based on a Jacobian volume expansion metric, yielding phase sorted ventilation images. Ventilation based upon 4D CT and Xe-129 MRI were co-registered, allowing qualitative visual comparison and qualitative comparison via the Pearson correlation coefficient. Results: Analysis shows a weak correlation between hyperpolarized Xe-129 MRI and 4D CT DIR ventilation, with a Pearson correlation coefficient of 0.17 to 0.22. Further work will refine the DIR parameters to optimize the correlation. The weak correlation could be due to the limitations of 4D CT, registration algorithms, or the Xe-129 MRI imaging. Continued development will refine parameters to optimize correlation. Conclusion: Current analysis yields a minimal correlation between 4D CT DIR and Xe-129 MRI ventilation. Funding provided by the 2014 George Amorino Pilot Grant in Radiation Oncology at the University of Virginia.« less

Intraspecific competition reduces niche width in experimental populations

PubMed Central

Parent, Christine E; Agashe, Deepa; Bolnick, Daniel I

2014-01-01

Intraspecific competition is believed to drive niche expansion, because otherwise suboptimal resources can provide a refuge from competition for preferred resources. Competitive niche expansion is well supported by empirical observations, experiments, and theory, and is often invoked to explain phenotypic diversification within populations, some forms of speciation, and adaptive radiation. However, some foraging models predict the opposite outcome, and it therefore remains unclear whether competition will promote or inhibit niche expansion. We conducted experiments to test whether competition changes the fitness landscape to favor niche expansion, and if competition indeed drives niche expansion as expected. Using Tribolium castaneum flour beetles fed either wheat (their ancestral resource), corn (a novel resource) or mixtures of both resources, we show that fitness is maximized on a mixed diet. Next, we show that at higher population density, the optimal diet shifts toward greater use of corn, favoring niche expansion. In stark contrast, when beetles were given a choice of resources, we found that competition caused niche contraction onto the ancestral resource. This presents a puzzling mismatch between how competition alters the fitness landscape, versus competition's effects on resource use. We discuss several explanations for this mismatch, highlighting potential reasons why optimality models might be misleading. PMID:25505525

Preferential ex vivo expansion of megakaryocytes from human cord blood CD34+-enriched cells in the presence of thrombopoietin and limiting amounts of stem cell factor and Flt-3 ligand.

PubMed

Proulx, Chantal; Boyer, Lucie; Hurnanen, Darin R; Lemieux, Réal

2003-04-01

The high proliferative potential of cord blood (CB) stem cells and the identification of the key factor of megakaryopoiesis, thrombopoietin (TPO), permit the ex vivo expansion of megakaryocytes (MKs) for possible use in early post-transplant support of patients and the production of functional platelets for transfusion. However, culture conditions for the generation of adequate MKs for this purpose are not yet optimized. Therefore, we sought to define the mixture of early-acting cytokines and TPO that would promote the expansion of MK progenitors over other lineages and result in overall better MK expansion and platelet yields. CB CD34(+)-enriched cells were cultured in serum-free medium for 17 days in presence of TPO alone or in various combinations with early-acting cytokines used at different concentrations and addition times. MK expansion and polyploidy and platelet production were monitored by flow cytometry analysis using specific surface markers (CD41 and CD42b) and propidium iodide labeling. Our results showed that the use of high concentrations of stem cell factor (SCF) and Flt-3 ligand (FL) in early CB TPO-supplemented cultures was more favorable to monocytic and granulocytic cell expansion. However, we observed that their presence in limiting amounts was required for the preferential expansion of MK progenitors. The addition of SCF, FL, TPO, and interleukin-6 (IL-6) at high concentrations in secondary cultures of these expanded MKs resulted in optimal MK proportion (approximately 25% of MKs) and expansion (>300 MK per seeded cell), highest proportions of polyploid MKs (22% of mature MKs > or = 8N), and best platelet yields. Our results indicate that TPO-induced MK progenitors are more sensitive to early-acting cytokines than non-MK cells. We propose that MKs generated in the optimized conditions, in combination with immature stem/progenitor cells, could prove useful for the short-term platelet recovery following CB transplantation.

On the optimization of Gaussian basis sets

NASA Astrophysics Data System (ADS)

Petersson, George A.; Zhong, Shijun; Montgomery, John A.; Frisch, Michael J.

2003-01-01

A new procedure for the optimization of the exponents, αj, of Gaussian basis functions, Ylm(ϑ,φ)rle-αjr2, is proposed and evaluated. The direct optimization of the exponents is hindered by the very strong coupling between these nonlinear variational parameters. However, expansion of the logarithms of the exponents in the orthonormal Legendre polynomials, Pk, of the index, j: ln αj=∑k=0kmaxAkPk((2j-2)/(Nprim-1)-1), yields a new set of well-conditioned parameters, Ak, and a complete sequence of well-conditioned exponent optimizations proceeding from the even-tempered basis set (kmax=1) to a fully optimized basis set (kmax=Nprim-1). The error relative to the exact numerical self-consistent field limit for a six-term expansion is consistently no more than 25% larger than the error for the completely optimized basis set. Thus, there is no need to optimize more than six well-conditioned variational parameters, even for the largest sets of Gaussian primitives.

Theoretical Investigation of oxides for batteries and fuel cell applications

NASA Astrophysics Data System (ADS)

Ganesh, Panchapakesan; Lubimtsev, Andrew A.; Balachandran, Janakiraman

I will present theoretical studies of Li-ion and proton-conducting oxides using a combination of theory and computations that involve Density Functional Theory based atomistic modeling, cluster-expansion based studies, global optimization, high-throughput computations and machine learning based investigation of ionic transport in oxide materials. In Li-ion intercalated oxides, we explain the experimentally observed (Nature Materials 12, 518-522 (2013)) 'intercalation pseudocapacitance' phenomenon, and explain why Nb2O5 is special to show this behavior when Li-ions are intercalated (J. Mater. Chem. A, 2013,1, 14951-14956), but not when Na-ions are used. In addition, we explore Li-ion intercalation theoretically in VO2 (B) phase, which is somewhat structurally similar to Nb2O5 and predict an interesting role of site-trapping on the voltage and capacity of the material, validated by ongoing experiments. Computations of proton conducting oxides explain why Y-doped BaZrO3 , one of the fastest proton conducting oxide, shows a decrease in conductivity above 20% Y-doping. Further, using high throughput computations and machine learning tools we discover general principles to improve proton conductivity. Acknowledgements: LDRD at ORNL and CNMS at ORNL

Systematic parameter inference in stochastic mesoscopic modeling

NASA Astrophysics Data System (ADS)

Lei, Huan; Yang, Xiu; Li, Zhen; Karniadakis, George Em

2017-02-01

We propose a method to efficiently determine the optimal coarse-grained force field in mesoscopic stochastic simulations of Newtonian fluid and polymer melt systems modeled by dissipative particle dynamics (DPD) and energy conserving dissipative particle dynamics (eDPD). The response surfaces of various target properties (viscosity, diffusivity, pressure, etc.) with respect to model parameters are constructed based on the generalized polynomial chaos (gPC) expansion using simulation results on sampling points (e.g., individual parameter sets). To alleviate the computational cost to evaluate the target properties, we employ the compressive sensing method to compute the coefficients of the dominant gPC terms given the prior knowledge that the coefficients are "sparse". The proposed method shows comparable accuracy with the standard probabilistic collocation method (PCM) while it imposes a much weaker restriction on the number of the simulation samples especially for systems with high dimensional parametric space. Fully access to the response surfaces within the confidence range enables us to infer the optimal force parameters given the desirable values of target properties at the macroscopic scale. Moreover, it enables us to investigate the intrinsic relationship between the model parameters, identify possible degeneracies in the parameter space, and optimize the model by eliminating model redundancies. The proposed method provides an efficient alternative approach for constructing mesoscopic models by inferring model parameters to recover target properties of the physics systems (e.g., from experimental measurements), where those force field parameters and formulation cannot be derived from the microscopic level in a straight forward way.

A structural topological optimization method for multi-displacement constraints and any initial topology configuration

NASA Astrophysics Data System (ADS)

Rong, J. H.; Yi, J. H.

2010-10-01

In density-based topological design, one expects that the final result consists of elements either black (solid material) or white (void), without any grey areas. Moreover, one also expects that the optimal topology can be obtained by starting from any initial topology configuration. An improved structural topological optimization method for multi- displacement constraints is proposed in this paper. In the proposed method, the whole optimization process is divided into two optimization adjustment phases and a phase transferring step. Firstly, an optimization model is built to deal with the varied displacement limits, design space adjustments, and reasonable relations between the element stiffness matrix and mass and its element topology variable. Secondly, a procedure is proposed to solve the optimization problem formulated in the first optimization adjustment phase, by starting with a small design space and advancing to a larger deign space. The design space adjustments are automatic when the design domain needs expansions, in which the convergence of the proposed method will not be affected. The final topology obtained by the proposed procedure in the first optimization phase, can approach to the vicinity of the optimum topology. Then, a heuristic algorithm is given to improve the efficiency and make the designed structural topology black/white in both the phase transferring step and the second optimization adjustment phase. And the optimum topology can finally be obtained by the second phase optimization adjustments. Two examples are presented to show that the topologies obtained by the proposed method are of very good 0/1 design distribution property, and the computational efficiency is enhanced by reducing the element number of the design structural finite model during two optimization adjustment phases. And the examples also show that this method is robust and practicable.

Optimizing high performance computing workflow for protein functional annotation.

PubMed

Stanberry, Larissa; Rekepalli, Bhanu; Liu, Yuan; Giblock, Paul; Higdon, Roger; Montague, Elizabeth; Broomall, William; Kolker, Natali; Kolker, Eugene

2014-09-10

Functional annotation of newly sequenced genomes is one of the major challenges in modern biology. With modern sequencing technologies, the protein sequence universe is rapidly expanding. Newly sequenced bacterial genomes alone contain over 7.5 million proteins. The rate of data generation has far surpassed that of protein annotation. The volume of protein data makes manual curation infeasible, whereas a high compute cost limits the utility of existing automated approaches. In this work, we present an improved and optmized automated workflow to enable large-scale protein annotation. The workflow uses high performance computing architectures and a low complexity classification algorithm to assign proteins into existing clusters of orthologous groups of proteins. On the basis of the Position-Specific Iterative Basic Local Alignment Search Tool the algorithm ensures at least 80% specificity and sensitivity of the resulting classifications. The workflow utilizes highly scalable parallel applications for classification and sequence alignment. Using Extreme Science and Engineering Discovery Environment supercomputers, the workflow processed 1,200,000 newly sequenced bacterial proteins. With the rapid expansion of the protein sequence universe, the proposed workflow will enable scientists to annotate big genome data.

Optimizing high performance computing workflow for protein functional annotation

PubMed Central

Stanberry, Larissa; Rekepalli, Bhanu; Liu, Yuan; Giblock, Paul; Higdon, Roger; Montague, Elizabeth; Broomall, William; Kolker, Natali; Kolker, Eugene

2014-01-01

Functional annotation of newly sequenced genomes is one of the major challenges in modern biology. With modern sequencing technologies, the protein sequence universe is rapidly expanding. Newly sequenced bacterial genomes alone contain over 7.5 million proteins. The rate of data generation has far surpassed that of protein annotation. The volume of protein data makes manual curation infeasible, whereas a high compute cost limits the utility of existing automated approaches. In this work, we present an improved and optmized automated workflow to enable large-scale protein annotation. The workflow uses high performance computing architectures and a low complexity classification algorithm to assign proteins into existing clusters of orthologous groups of proteins. On the basis of the Position-Specific Iterative Basic Local Alignment Search Tool the algorithm ensures at least 80% specificity and sensitivity of the resulting classifications. The workflow utilizes highly scalable parallel applications for classification and sequence alignment. Using Extreme Science and Engineering Discovery Environment supercomputers, the workflow processed 1,200,000 newly sequenced bacterial proteins. With the rapid expansion of the protein sequence universe, the proposed workflow will enable scientists to annotate big genome data. PMID:25313296

Petascale self-consistent electromagnetic computations using scalable and accurate algorithms for complex structures

NASA Astrophysics Data System (ADS)

Cary, John R.; Abell, D.; Amundson, J.; Bruhwiler, D. L.; Busby, R.; Carlsson, J. A.; Dimitrov, D. A.; Kashdan, E.; Messmer, P.; Nieter, C.; Smithe, D. N.; Spentzouris, P.; Stoltz, P.; Trines, R. M.; Wang, H.; Werner, G. R.

2006-09-01

As the size and cost of particle accelerators escalate, high-performance computing plays an increasingly important role; optimization through accurate, detailed computermodeling increases performance and reduces costs. But consequently, computer simulations face enormous challenges. Early approximation methods, such as expansions in distance from the design orbit, were unable to supply detailed accurate results, such as in the computation of wake fields in complex cavities. Since the advent of message-passing supercomputers with thousands of processors, earlier approximations are no longer necessary, and it is now possible to compute wake fields, the effects of dampers, and self-consistent dynamics in cavities accurately. In this environment, the focus has shifted towards the development and implementation of algorithms that scale to large numbers of processors. So-called charge-conserving algorithms evolve the electromagnetic fields without the need for any global solves (which are difficult to scale up to many processors). Using cut-cell (or embedded) boundaries, these algorithms can simulate the fields in complex accelerator cavities with curved walls. New implicit algorithms, which are stable for any time-step, conserve charge as well, allowing faster simulation of structures with details small compared to the characteristic wavelength. These algorithmic and computational advances have been implemented in the VORPAL7 Framework, a flexible, object-oriented, massively parallel computational application that allows run-time assembly of algorithms and objects, thus composing an application on the fly.

Multimodal airway evaluation in growing patients after rapid maxillary expansion.

PubMed

Fastuca, R; Meneghel, M; Zecca, P A; Mangano, F; Antonello, M; Nucera, R; Caprioglio, A

2015-06-01

The objective of this study was to evaluate the airway volume of growing patients combining a morphological approach using cone beam computed tomography associated with functional data obtained by polysomnography examination after rapid maxillary expansion treatment. 22 Caucasian patients (mean age 8.3±0.9 years) undergoing rapid maxillary expansion with Haas type expander banded on second deciduous upper molars were enrolled for this prospective study. Cone beam computed tomography scans and polysomnography exams were collected before placing the appliance (T0) and after 12 months (T1). Image processing with airway volume computing and analyses of oxygen saturation and apnoea/hypopnoea index were performed. Airway volume, oxygen saturation and apnea/hypopnea index underwent significant increase over time. However, no significant correlation was seen between their increases. The rapid maxillary expansion treatment induced significant increases in the total airway volume and respiratory performance. Functional respiratory parameters should be included in studies evaluating the RME treatment effects on the respiratory performance.

Making classical and quantum canonical general relativity computable through a power series expansion in the inverse cosmological constant.

PubMed

Gambini, R; Pullin, J

2000-12-18

We consider general relativity with a cosmological constant as a perturbative expansion around a completely solvable diffeomorphism invariant field theory. This theory is the lambda --> infinity limit of general relativity. This allows an explicit perturbative computational setup in which the quantum states of the theory and the classical observables can be explicitly computed. An unexpected relationship arises at a quantum level between the discrete spectrum of the volume operator and the allowed values of the cosmological constant.

Filtering with Marked Point Process Observations via Poisson Chaos Expansion

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

Sun Wei, E-mail: wsun@mathstat.concordia.ca; Zeng Yong, E-mail: zengy@umkc.edu; Zhang Shu, E-mail: zhangshuisme@hotmail.com

2013-06-15

We study a general filtering problem with marked point process observations. The motivation comes from modeling financial ultra-high frequency data. First, we rigorously derive the unnormalized filtering equation with marked point process observations under mild assumptions, especially relaxing the bounded condition of stochastic intensity. Then, we derive the Poisson chaos expansion for the unnormalized filter. Based on the chaos expansion, we establish the uniqueness of solutions of the unnormalized filtering equation. Moreover, we derive the Poisson chaos expansion for the unnormalized filter density under additional conditions. To explore the computational advantage, we further construct a new consistent recursive numerical schememore » based on the truncation of the chaos density expansion for a simple case. The new algorithm divides the computations into those containing solely system coefficients and those including the observations, and assign the former off-line.« less

Multiple optimization of chemical components and texture of purple maize expanded by IVDV treatment using the response surface methodology.

PubMed

Mrad, Rachelle; Debs, Espérance; Maroun, Richard G; Louka, Nicolas

2014-12-15

A new process, Intensification of Vaporization by Decompression to the Vacuum (IVDV), is proposed for texturizing purple maize. It consists in exposing humid kernels to high steam pressure followed by a decompression to the vacuum. Response surface methodology with three operating parameters (initial water content (W), steam pressure (P) and processing time (T)) was used to study the response parameters: Total Anthocyanins Content, Total Polyphenols Content, Free Radical Scavenging Activity, Expansion Ratio, Hardness and Work Done. P was the most important variable, followed by T. Pressure drop helped the release of bound phenolics arriving to their expulsion outside the cell. Combined with convenient T and W, it caused kernels expansion. Multiple optimization of expansion and chemical content showed that IVDV resulted in good texturization of maize while preserving the antioxidant compounds and activity. Optimal conditions were: W=29%, P=5 bar and T=37s. Copyright © 2014 Elsevier Ltd. All rights reserved.

Stability Evaluation of Buildings in Urban Area Using Persistent Scatterer Interfometry -Focused on Thermal Expansion Effect

NASA Astrophysics Data System (ADS)

Choi, J. H.; Kim, S. W.; Won, J. S.

2017-12-01

The objective of this study is monitoring and evaluating the stability of buildings in Seoul, Korea. This study includes both algorithm development and application to a case study. The development focuses on improving the PSI approach for discriminating various geophysical phase components and separating them from the target displacement phase. A thermal expansion is one of the key components that make it difficult for precise displacement measurement. The core idea is to optimize the thermal expansion factor using air temperature data and to model the corresponding phase by fitting the residual phase. We used TerraSAR-X SAR data acquired over two years from 2011 to 2013 in Seoul, Korea. The temperature fluctuation according to seasons is considerably high in Seoul, Korea. Other problem is the highly-developed skyscrapers in Seoul, which seriously contribute to DEM errors. To avoid a high computational burden and unstable solution of the nonlinear equation due to unknown parameters (a thermal expansion parameter as well as two conventional parameters: linear velocity and DEM errors), we separate a phase model into two main steps as follows. First, multi-baseline pairs with very short time interval in which deformation components and thermal expansion can be negligible were used to estimate DEM errors first. Second, single-baseline pairs were used to estimate two remaining parameters, linear deformation rate and thermal expansion. The thermal expansion of buildings closely correlate with the seasonal temperature fluctuation. Figure 1 shows deformation patterns of two selected buildings in Seoul. In the figures of left column (Figure 1), it is difficult to observe the true ground subsidence due to a large cyclic pattern caused by thermal dilation of the buildings. The thermal dilation often mis-leads the results into wrong conclusions. After the correction by the proposed method, true ground subsidence was able to be precisely measured as in the bottom right figure in Figure 1. The results demonstrate how the thermal expansion phase blinds the time-series measurement of ground motion and how well the proposed approach able to remove the noise phases caused by thermal expansion and DEM errors. Some of the detected displacements matched well with the pre-reported events, such as ground subsidence and sinkhole.

AAC menu interface: effectiveness of active versus passive learning to master abbreviation-expansion codes.

PubMed

Gregory, Ellyn; Soderman, Melinda; Ward, Christy; Beukelman, David R; Hux, Karen

2006-06-01

This study investigated the accuracy with which 30 young adults without disabilities learned abbreviation expansion codes associated with specific vocabulary items that were stored in an AAC device with two accessing methods: mouse access and keyboard access. Both accessing methods utilized a specialized computer application, called AAC Menu, which allowed for errorless practice. Mouse access prompted passive learning, whereas keyboard access prompted active learning. Results revealed that participants who accessed words via a keyboard demonstrated significantly higher mastery of abbreviation-expansion codes than those who accessed words via a computer mouse.

Uncertainty Quantification in CO 2 Sequestration Using Surrogate Models from Polynomial Chaos Expansion

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

Zhang, Yan; Sahinidis, Nikolaos V.

2013-03-06

In this paper, surrogate models are iteratively built using polynomial chaos expansion (PCE) and detailed numerical simulations of a carbon sequestration system. Output variables from a numerical simulator are approximated as polynomial functions of uncertain parameters. Once generated, PCE representations can be used in place of the numerical simulator and often decrease simulation times by several orders of magnitude. However, PCE models are expensive to derive unless the number of terms in the expansion is moderate, which requires a relatively small number of uncertain variables and a low degree of expansion. To cope with this limitation, instead of using amore » classical full expansion at each step of an iterative PCE construction method, we introduce a mixed-integer programming (MIP) formulation to identify the best subset of basis terms in the expansion. This approach makes it possible to keep the number of terms small in the expansion. Monte Carlo (MC) simulation is then performed by substituting the values of the uncertain parameters into the closed-form polynomial functions. Based on the results of MC simulation, the uncertainties of injecting CO{sub 2} underground are quantified for a saline aquifer. Moreover, based on the PCE model, we formulate an optimization problem to determine the optimal CO{sub 2} injection rate so as to maximize the gas saturation (residual trapping) during injection, and thereby minimize the chance of leakage.« less

Effects of orthopedic maxillary expansion on nasal cavity size in growing subjects: a low dose computer tomography clinical trial.

PubMed

Cordasco, Giancarlo; Nucera, Riccardo; Fastuca, Rosamaria; Matarese, Giovanni; Lindauer, Steven J; Leone, Pietro; Manzo, Paolo; Martina, Roberto

2012-11-01

The aim of this retrospective clinical trial was to evaluate the effects of rapid maxillary expansion on skeletal nasal cavity size in growing subjects by use of low dose computer tomography. Eight Caucasian children (three male; five female) with a mean age of 9.7 years (SD±1.41) were the final sample of this research that underwent palatal expansion as a first phase of orthodontic treatment. The maxillary expander was banded to the upper first molars and was activated according a rapid maxillary expansion protocol. Low-dose computer tomography examinations of maxilla and of the low portion of nasal cavity were performed before inserting the maxillary expander (T0) and at the end of retention (T1), 7 months later. A low-dose computer tomography protocol was applied during the exams. Image processing was achieved in 3 steps: reslicing; dental and skeletal measurements; skeletal nasal volume computing. A set of reproducible skeletal and dental landmarks were located in the coronal passing through the first upper right molar furcation. Using the landmarks, a set of transverse linear measurements were identified to estimate maximum nasal width and nasal floor width. To compute the nasal volume the lower portion of the nasal cavity was set as region of interest. Nasal volume was calculated using a set of coronal slices. In each coronal slice, the cortical bone of the nasal cavity was identified and selected with a segmentation technique. Dependent t-tests were used to evaluate changes due to expansion. For all tests, a significance level of P<0.05 was used. Rapid maxillary expansion produced significant increases of linear transverse skeletal measurements, these increments were bigger in the lower portion of the nasal cavities: nasal floor width (+3.15 mm; SD ± 0.99), maximum nasal width (+2.47 mm; SD ± 0.99). Rapid maxillary expansion produced significant increment of the total nasal volume (+1.27 cm(3) ± SD 0.65). The anterior volume increase was 0.58 cm(3) while the posterior one was 0.69 cm(3). In growing subjects RME is able to significantly enlarge the dimension of nasal cavity. The increment is bigger in the lower part of the nose and equally distributed between the anterior e the posterior part of the nasal cavity. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

Efficiency for preforming molecules from mixtures of light Fermi and heavy Bose atoms in optical lattices: The strong-coupling-expansion method

NASA Astrophysics Data System (ADS)

Hu, Anzi; Freericks, J. K.; Maśka, M. M.; Williams, C. J.

2011-04-01

We discuss the application of a strong-coupling expansion (perturbation theory in the hopping) for studying light-Fermi-heavy-Bose (like K40-Rb87) mixtures in optical lattices. We use the strong-coupling method to evaluate the efficiency for preforming molecules, the entropy per particle, and the thermal fluctuations. We show that within the strong interaction regime (and at high temperature), the strong-coupling expansion is an economical way to study this problem. In some cases, it remains valid even down to low temperatures. Because the computational effort is minimal, the strong-coupling approach allows us to work with much larger system sizes, where boundary effects can be eliminated, which is particularly important at higher temperatures. Since the strong-coupling approach is so efficient and accurate, it allows one to rapidly scan through parameter space in order to optimize the preforming of molecules on a lattice (by choosing the lattice depth and interspecies attraction). Based on the strong-coupling calculations, we test the thermometry scheme based on the fluctuation-dissipation theorem and find the scheme gives accurate temperature estimation even at very low temperature. We believe this approach and the calculation results will be useful in the design of the next generation of experiments and will hopefully lead to the ability to form dipolar matter in the quantum degenerate regime.

Exploring biorthonormal transformations of pair-correlation functions in atomic structure variational calculations

NASA Astrophysics Data System (ADS)

Verdebout, S.; Jönsson, P.; Gaigalas, G.; Godefroid, M.; Froese Fischer, C.

2010-04-01

Multiconfiguration expansions frequently target valence correlation and correlation between valence electrons and the outermost core electrons. Correlation within the core is often neglected. A large orbital basis is needed to saturate both the valence and core-valence correlation effects. This in turn leads to huge numbers of configuration state functions (CSFs), many of which are unimportant. To avoid the problems inherent to the use of a single common orthonormal orbital basis for all correlation effects in the multiconfiguration Hartree-Fock (MCHF) method, we propose to optimize independent MCHF pair-correlation functions (PCFs), bringing their own orthonormal one-electron basis. Each PCF is generated by allowing single- and double-excitations from a multireference (MR) function. This computational scheme has the advantage of using targeted and optimally localized orbital sets for each PCF. These pair-correlation functions are coupled together and with each component of the MR space through a low dimension generalized eigenvalue problem. Nonorthogonal orbital sets being involved, the interaction and overlap matrices are built using biorthonormal transformation of the coupled basis sets followed by a counter-transformation of the PCF expansions. Applied to the ground state of beryllium, the new method gives total energies that are lower than the ones from traditional complete active space (CAS)-MCHF calculations using large orbital active sets. It is fair to say that we now have the possibility to account for, in a balanced way, correlation deep down in the atomic core in variational calculations.

Numerical design of an EBIS collector to optimize electron collection and ion extraction

NASA Astrophysics Data System (ADS)

Dietrich, Jürgen

1990-12-01

For the Frankfurt EBIS (R. Becker et al., Nucl. Instr. and Meth. B24/25 (1987) 838, ref. [1]), a new collector was designed using the relativistic electron optics program EGUN (W.B. Herrmannsfeldt, SLAC-331 (1988), ref. [2]) and the magnetic field program INTMAG (R. Becker, Nucl. Instr. and Meth. B42 (1989) 303, ref. [3]). To model the fringing field of the main solenoid, a bucking coil and a cylindrical shim is provided. The current of the bucking coil and the position and shape of the shim are optimized with INTMAG for minimum fringing field to allow expansion of the electron beam by its space charge. The magnetic field data output from INTMAG is directly used as input for EGUN to calculate the electron and ion trajectories. The initial conditions for the trajectories were computed from the paraxial ray equation. Different operation modes of the collector are investigated including the behaviour of secondary electrons.

Capacity Adequacy and Revenue Sufficiency in Electricity Markets With Wind Power

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

Levin, Todd; Botterud, Audun

2015-05-01

We present a computationally efficient mixed-integer program (MIP) that determines optimal generator expansion decisions, as well as periodic unit commitment and dispatch. The model is applied to analyze the impact of increasing wind power capacity on the optimal generation mix and the profitability of thermal generators. In a case study, we find that increasing wind penetration reduces energy prices while the prices for operating reserves increase. Moreover, scarcity pricing for operating reserves through reserve shortfall penalties significantly impacts the prices and profitability of thermal generators. Without scarcity pricing, no thermal units are profitable, however scarcity pricing can ensure profitability formore » peaking units at high wind penetration levels. Capacity payments can also ensure profitability, but the payments required for baseload units to break even increase with the amount of wind power. The results indicate that baseload units are most likely to experience revenue sufficiency problems when wind penetration increases and new baseload units are only developed when natural gas prices are high and wind penetration is low.« less

Separated-pair independent particle model and the generalized Brillouin theorem: ab initio calculations on the dissociation of polyatomic molecules

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

Sundberg, Kenneth Randall

1976-01-01

A method is developed to optimize the separated-pair independent particle (SPIP) wave function; it is a special case of the separated-pair theory obtained by using two-term natural expansions of the geminals. The orbitals are optimized by a theory based on the generalized Brillouin theorem and iterative configuration interaction (CI) calculations in the space of the SPIP function and its single excitations. The geminal expansion coefficients are optimized by serial 2 x 2 CI calculations. Formulas are derived for the matrix elements. An algorithm to implement the method is presented, and the work needed to evaluate the molecular integrals is discussed.

Optimizing a Query by Transformation and Expansion.

PubMed

Glocker, Katrin; Knurr, Alexander; Dieter, Julia; Dominick, Friederike; Forche, Melanie; Koch, Christian; Pascoe Pérez, Analie; Roth, Benjamin; Ückert, Frank

2017-01-01

In the biomedical sector not only the amount of information produced and uploaded into the web is enormous, but also the number of sources where these data can be found. Clinicians and researchers spend huge amounts of time on trying to access this information and to filter the most important answers to a given question. As the formulation of these queries is crucial, automated query expansion is an effective tool to optimize a query and receive the best possible results. In this paper we introduce the concept of a workflow for an optimization of queries in the medical and biological sector by using a series of tools for expansion and transformation of the query. After the definition of attributes by the user, the query string is compared to previous queries in order to add semantic co-occurring terms to the query. Additionally, the query is enlarged by an inclusion of synonyms. The translation into database specific ontologies ensures the optimal query formulation for the chosen database(s). As this process can be performed in various databases at once, the results are ranked and normalized in order to achieve a comparable list of answers for a question.

Plasma plume expansion dynamics in nanosecond Nd:YAG laserosteotome

NASA Astrophysics Data System (ADS)

Abbasi, Hamed; Rauter, Georg; Guzman, Raphael; Cattin, Philippe C.; Zam, Azhar

2018-02-01

In minimal invasive laser osteotomy precise information about the ablation process can be obtained with LIBS in order to avoid carbonization, or cutting of wrong types of tissue. Therefore, the collecting fiber for LIBS needs to be optimally placed in narrow cavities in the endoscope. To determine this optimal placement, the plasma plume expansion dynamics in ablation of bone tissue by the second harmonic of a nanosecond Nd:YAG laser at 532 nm has been studied. The laserinduced plasma plume was monitored in different time delays, from one nanosecond up to one hundred microseconds. Measurements were performed using high-speed gated illumination imaging. The expansion features were studied using illumination of the overall visible emission by using a gated intensified charged coupled device (ICCD). The camera was capable of having a minimum gate width (Optical FWHM) of 3 ns and the timing resolution (minimum temporal shift of the gate) of 10 ps. The imaging data were used to generate position-time data of the luminous plasma-front. Moreover, the velocity of the plasma plume expansion was studied based on the time-resolved intensity data. By knowing the plasma plume profile over time, the optimum position (axial distance from the laser spot) of the collecting fiber and optimal time delay (to have the best signal to noise ratio) in spatial-resolved and time-resolved laser-induced breakdown spectroscopy (LIBS) can be determined. Additionally, the function of plasma plume expansion could be used to study the shock wave of the plasma plume.

Least squares polynomial chaos expansion: A review of sampling strategies

NASA Astrophysics Data System (ADS)

Hadigol, Mohammad; Doostan, Alireza

2018-04-01

As non-institutive polynomial chaos expansion (PCE) techniques have gained growing popularity among researchers, we here provide a comprehensive review of major sampling strategies for the least squares based PCE. Traditional sampling methods, such as Monte Carlo, Latin hypercube, quasi-Monte Carlo, optimal design of experiments (ODE), Gaussian quadratures, as well as more recent techniques, such as coherence-optimal and randomized quadratures are discussed. We also propose a hybrid sampling method, dubbed alphabetic-coherence-optimal, that employs the so-called alphabetic optimality criteria used in the context of ODE in conjunction with coherence-optimal samples. A comparison between the empirical performance of the selected sampling methods applied to three numerical examples, including high-order PCE's, high-dimensional problems, and low oversampling ratios, is presented to provide a road map for practitioners seeking the most suitable sampling technique for a problem at hand. We observed that the alphabetic-coherence-optimal technique outperforms other sampling methods, specially when high-order ODE are employed and/or the oversampling ratio is low.

Preparation of Shrinkage Compensating Concrete with HCSA Expansive Agent

NASA Astrophysics Data System (ADS)

Li, Changcheng; Jia, Fujia

2017-10-01

Shrinkage compensating concrete (SCC) has become one of the best effective methods of preventing and reducing concrete cracking. SCC is prepared by HCSA high performance expansive agent for concrete which restrained expansion rate is optimized by 0.057%. Slump, compressive strength, restrained expansion rate and cracking resistance test were carried out on SCC. The results show that the initial slump of fresh SCC was about 220mm-230mm, while slump after 2 hours was 180mm-200mm. The restrained expansion rate of SCC increased with the mixing amount of expansive agent. After cured in water for 14 days, the restrained expansion rate of C35 and C40 SCC were 0.020%-0.032%. With the dosage of expansive agent increasing, restrained expansion rate of SCC increased, maximum compressive stress and cracking stress improved, cracking temperature fell, thus cracking resistance got effectively improvement.

Expansion of Tabulated Scattering Matrices in Generalized Spherical Functions

NASA Technical Reports Server (NTRS)

Mishchenko, Michael I.; Geogdzhayev, Igor V.; Yang, Ping

2016-01-01

An efficient way to solve the vector radiative transfer equation for plane-parallel turbid media is to Fourier-decompose it in azimuth. This methodology is typically based on the analytical computation of the Fourier components of the phase matrix and is predicated on the knowledge of the coefficients appearing in the expansion of the normalized scattering matrix in generalized spherical functions. Quite often the expansion coefficients have to be determined from tabulated values of the scattering matrix obtained from measurements or calculated by solving the Maxwell equations. In such cases one needs an efficient and accurate computer procedure converting a tabulated scattering matrix into the corresponding set of expansion coefficients. This short communication summarizes the theoretical basis of this procedure and serves as the user guide to a simple public-domain FORTRAN program.

Porous composite with negative thermal expansion obtained by photopolymer additive manufacturing

NASA Astrophysics Data System (ADS)

Takezawa, Akihiro; Kobashi, Makoto; Kitamura, Mitsuru

2015-07-01

Additive manufacturing (AM) could be a novel method of fabricating composite and porous materials having various effective performances based on mechanisms of their internal geometries. Materials fabricated by AM could rapidly be used in industrial application since they could easily be embedded in the target part employing the same AM process used for the bulk material. Furthermore, multi-material AM has greater potential than usual single-material AM in producing materials with effective properties. Negative thermal expansion is a representative effective material property realized by designing a composite made of two materials with different coefficients of thermal expansion. In this study, we developed a porous composite having planar negative thermal expansion by employing multi-material photopolymer AM. After measurement of the physical properties of bulk photopolymers, the internal geometry was designed by topology optimization, which is the most effective structural optimization in terms of both minimizing thermal stress and maximizing stiffness. The designed structure was converted to a three-dimensional stereolithography (STL) model, which is a native digital format of AM, and assembled as a test piece. The thermal expansions of the specimens were measured using a laser scanning dilatometer. Negative thermal expansion corresponding to less than -1 × 10-4 K-1 was observed for each test piece of the N = 3 experiment.

Localized overlap algorithm for unexpanded dispersion energies

NASA Astrophysics Data System (ADS)

Rob, Fazle; Misquitta, Alston J.; Podeszwa, Rafał; Szalewicz, Krzysztof

2014-03-01

First-principles-based, linearly scaling algorithm has been developed for calculations of dispersion energies from frequency-dependent density susceptibility (FDDS) functions with account of charge-overlap effects. The transition densities in FDDSs are fitted by a set of auxiliary atom-centered functions. The terms in the dispersion energy expression involving products of such functions are computed using either the unexpanded (exact) formula or from inexpensive asymptotic expansions, depending on the location of these functions relative to the dimer configuration. This approach leads to significant savings of computational resources. In particular, for a dimer consisting of two elongated monomers with 81 atoms each in a head-to-head configuration, the most favorable case for our algorithm, a 43-fold speedup has been achieved while the approximate dispersion energy differs by less than 1% from that computed using the standard unexpanded approach. In contrast, the dispersion energy computed from the distributed asymptotic expansion differs by dozens of percent in the van der Waals minimum region. A further increase of the size of each monomer would result in only small increased costs since all the additional terms would be computed from the asymptotic expansion.

Spherical-wave expansions of piston-radiator fields.

PubMed

Wittmann, R C; Yaghjian, A D

1991-09-01

Simple spherical-wave expansions of the continuous-wave fields of a circular piston radiator in a rigid baffle are derived. These expansions are valid throughout the illuminated half-space and are useful for efficient numerical computation in the near-field region. Multipole coefficients are given by closed-form expressions which can be evaluated recursively.

Quantum computational complexity, Einstein's equations and accelerated expansion of the Universe

NASA Astrophysics Data System (ADS)

Ge, Xian-Hui; Wang, Bin

2018-02-01

We study the relation between quantum computational complexity and general relativity. The quantum computational complexity is proposed to be quantified by the shortest length of geodesic quantum curves. We examine the complexity/volume duality in a geodesic causal ball in the framework of Fermi normal coordinates and derive the full non-linear Einstein equation. Using insights from the complexity/action duality, we argue that the accelerated expansion of the universe could be driven by the quantum complexity and free from coincidence and fine-tunning problems.

Tratamiento formal de imágenes astronómicas con PSF espacialmente variable

NASA Astrophysics Data System (ADS)

Sánchez, B. O.; Domínguez, M. J.; Lares, M.

2017-10-01

We present a python implementation of a method for PSF determination in the context of optimal subtraction of astronomical images. We introduce an expansion of the spatially variant point spread function (PSF) in terms of the Karhunen Loève basis. The advantage of this approach is that the basis is able to naturally adapt to the data, instead of imposing a fixed ad-hoc analytic form. Simulated image reconstruction was analyzed, by using the measured PSF, with good agreement in terms of sky background level between the reconstructed and original images. The technique is simple enough to be implemented on more sophisticated image subtraction methods, since it improves its results without extra computational cost in a spatially variant PSF environment.

Shock capturing finite-difference and characteristic reference plane techniques for the prediction of three-dimensional nozzle-exhaust flowfields

NASA Technical Reports Server (NTRS)

Dash, S.; Delguidice, P.

1978-01-01

This report summarizes work accomplished under Contract No. NAS1-12726 towards the development of computational procedures and associated numerical. The flow fields considered were those associated with airbreathing hypersonic aircraft which require a high degree of engine/airframe integration in order to achieve optimized performance. The exhaust flow, due to physical area limitations, was generally underexpanded at the nozzle exit; the vehicle afterbody undersurface was used to provide additional expansion to obtain maximum propulsive efficiency. This resulted in a three dimensional nozzle flow, initialized at the combustor exit, whose boundaries are internally defined by the undersurface, cowling and walls separating individual modules, and externally, by the undersurface and slipstream separating the exhaust flow and external stream.

Pathways and Challenges to Innovation in Aerospace

NASA Technical Reports Server (NTRS)

Terrile, Richard J.

2010-01-01

This paper explores impediments to innovation in aerospace and suggests how successful pathways from other industries can be adopted to facilitate greater innovation. Because of its nature, space exploration would seem to be a ripe field of technical innovation. However, engineering can also be a frustratingly conservative endeavor when the realities of cost and risk are included. Impediments like the "find the fault" engineering culture, the treatment of technical risk as almost always evaluated in terms of negative impact, the difficult to account for expansive Moore's Law growth when making predictions, and the stove-piped structural organization of most large aerospace companies and federally funded research laboratories tend to inhibit cross-cutting technical innovation. One successful example of a multi-use cross cutting application that can scale with Moore's Law is the Evolutionary Computational Methods (ECM) technique developed at the Jet Propulsion Lab for automated spectral retrieval. Future innovations like computational engineering and automated design optimization can potentially redefine space exploration, but will require learning lessons from successful innovators.

Experimental and Computational Investigation of a Translating-Throat Single-Expansion-Ramp Nozzle

NASA Technical Reports Server (NTRS)

Deere, Karen A.; Asbury, Scott C.

1999-01-01

An experimental and computational study was conducted on a high-speed, single-expansion-ramp nozzle (SERN) concept designed for efficient off-design performance. The translating-throat SERN concept adjusts the axial location of the throat to provide a variable expansion ratio and allow a more optimum jet exhaust expansion at various flight conditions in an effort to maximize nozzle performance. Three design points (throat locations) were investigated to simulate the operation of this concept at subsonic-transonic, low supersonic, and high supersonic flight conditions. The experimental study was conducted in the jet exit test facility at the Langley Research Center. Internal nozzle performance was obtained at nozzle pressure ratios (NPR's) up to 13 for six nozzles with design nozzle pressure ratios near 9, 42, and 102. Two expansion-ramp surfaces, one concave and one convex, were tested for each design point. Paint-oil flow and focusing schlieren flow visualization techniques were utilized to acquire additional flow data at selected NPR'S. The Navier-Stokes code, PAB3D, was used with a two-equation k-e turbulence model for the computational study. Nozzle performance characteristics were predicted at nozzle pressure ratios of 5, 9, and 13 for the concave ramp, low Mach number nozzle and at 10, 13, and 102 for the concave ramp, high Mach number nozzle.

Description of deformed nuclei in the sdg boson model

NASA Astrophysics Data System (ADS)

Li, S. C.; Kuyucak, S.

1996-02-01

We present a study of deformed nuclei in the framework of the sdg interacting boson model utilizing both numerical diagonalization and analytical {1}/{N} expansion techniques. The focus is on the description of high-spin states which have recently become computationally accessible through the use of computer algebra in the {1}/{N} expansion formalism. A systematic study is made of high-spin states in rare-earth and actinide nuclei.

Energy of the amplitude mode in the bicubic antiferromagnet: Series expansion results

NASA Astrophysics Data System (ADS)

Oitmaa, J.

2018-05-01

Series expansion methods are used to study the quantum critical behavior of the bicubic spin-1/2 antiferromagnet. Excitation energies are computed throughout the Brillouin zone, for both the Néel and dimer phases. We compute the energy of the amplitude/Higgs mode and show that it becomes degenerate with the magnon modes at the quantum critical point, as expected on general symmetry grounds.

The symbolic computation of series solutions to ordinary differential equations using trees (extended abstract)

NASA Technical Reports Server (NTRS)

Grossman, Robert

1991-01-01

Algorithms previously developed by the author give formulas which can be used for the efficient symbolic computation of series expansions to solutions of nonlinear systems of ordinary differential equations. As a by product of this analysis, formulas are derived which relate to trees to the coefficients of the series expansions, similar to the work of Leroux and Viennot, and Lamnabhi, Leroux and Viennot.

Strategic Planning for Drought Mitigation Under Climate Change

NASA Astrophysics Data System (ADS)

Cai, X.; Zeng, R.; Valocchi, A. J.; Song, J.

2012-12-01

Droughts continue to be a major natural hazard and mounting evidence of global warming confronts society with a pressing question: Will climate change aggravate the risk of drought at local scale? It is important to explore what additional risk will be imposed by climate change and what level of strategic measures should be undertaken now to avoid vulnerable situations in the future, given that tactical measures may not avoid large damage. This study addresses the following key questions on strategic planning for drought mitigation under climate change: What combination of strategic and tactical measures will move the societal system response from a vulnerable situation to a resilient one with minimum cost? Are current infrastructures and their operation enough to mitigate the damage of future drought, or do we need in-advance infrastructure expansion for future drought preparedness? To address these questions, this study presents a decision support framework based on a coupled simulation and optimization model. A quasi-physically based watershed model is established for the Frenchman Creek Basin (FCB), part of the Republic River Basin, where groundwater based irrigation plays a significant role in agriculture production and local hydrological cycle. The physical model is used to train a statistical surrogate model, which predicts the watershed responses under future climate conditions. The statistical model replaces the complex physical model in the simulation-optimization framework, which makes the models computationally tractable. Decisions for drought preparedness include traditional short-term tactical measures (e.g. facility operation) and long-term or in-advance strategic measures, which require capital investment. A scenario based three-stage stochastic optimization model assesses the roles of strategic measures and tactical measures in drought preparedness and mitigation. Two benchmark climate prediction horizons, 2040s and 2090s, represent mid-term and long-term planning, respectively, compared to the baseline of the climate of 1980-2000. To handle uncertainty in climate change projections, outputs from three General Circulation Models (GCMs) with Regional Climate Model (RCM) for dynamic downscaling (PCM-RCM, Hadley-RCM, and CCSM-RCM) and four CO2 emission scenarios are used to represent the various possible climatic conditions in the mid-term (2040's) and long-term (2090's) time horizons. The model results show the relative roles of mid- and long-term investments and the complementary relationships between wait-and-see decisions and here-and-now decisions on infrastructure expansion. Even the best tactical measures (irrigation operation) alone are not sufficient for drought mitigation in the future. Infrastructure expansion is critical especially for environmental conversation purposes. With increasing budget, investment should be shifted from tactical measures to strategic measures for drought preparedness. Infrastructure expansion is preferred for the long term plan than the mid-term plan, i.e., larger investment is proposed in 2040s than the current, due to a larger likelihood of drought in 2090s than 2040s. Thus larger BMP expansion is proposed in 2040s for droughts preparedness in 2090s.

Systematic parameter inference in stochastic mesoscopic modeling

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

Lei, Huan; Yang, Xiu; Li, Zhen

2017-02-01

We propose a method to efficiently determine the optimal coarse-grained force field in mesoscopic stochastic simulations of Newtonian fluid and polymer melt systems modeled by dissipative particle dynamics (DPD) and energy conserving dissipative particle dynamics (eDPD). The response surfaces of various target properties (viscosity, diffusivity, pressure, etc.) with respect to model parameters are constructed based on the generalized polynomial chaos (gPC) expansion using simulation results on sampling points (e.g., individual parameter sets). To alleviate the computational cost to evaluate the target properties, we employ the compressive sensing method to compute the coefficients of the dominant gPC terms given the priormore » knowledge that the coefficients are “sparse”. The proposed method shows comparable accuracy with the standard probabilistic collocation method (PCM) while it imposes a much weaker restriction on the number of the simulation samples especially for systems with high dimensional parametric space. Fully access to the response surfaces within the confidence range enables us to infer the optimal force parameters given the desirable values of target properties at the macroscopic scale. Moreover, it enables us to investigate the intrinsic relationship between the model parameters, identify possible degeneracies in the parameter space, and optimize the model by eliminating model redundancies. The proposed method provides an efficient alternative approach for constructing mesoscopic models by inferring model parameters to recover target properties of the physics systems (e.g., from experimental measurements), where those force field parameters and formulation cannot be derived from the microscopic level in a straight forward way.« less

Combined micromechanical and fabrication process optimization for metal-matrix composites

NASA Technical Reports Server (NTRS)

Morel, M.; Saravanos, D. A.; Chamis, C. C.

1991-01-01

A method is presented to minimize the residual matrix stresses in metal matrix composites. Fabrication parameters such as temperature and consolidation pressure are optimized concurrently with the characteristics (i.e., modulus, coefficient of thermal expansion, strength, and interphase thickness) of a fiber-matrix interphase. By including the interphase properties in the fabrication process, lower residual stresses are achievable. Results for an ultra-high modulus graphite (P100)/copper composite show a reduction of 21 percent for the maximum matrix microstress when optimizing the fabrication process alone. Concurrent optimization of the fabrication process and interphase properties show a 41 percent decrease in the maximum microstress. Therefore, this optimization method demonstrates the capability of reducing residual microstresses by altering the temperature and consolidation pressure histories and tailoring the interphase properties for an improved composite material. In addition, the results indicate that the consolidation pressures are the most important fabrication parameters, and the coefficient of thermal expansion is the most critical interphase property.

Concurrent micromechanical tailoring and fabrication process optimization for metal-matrix composites

NASA Technical Reports Server (NTRS)

Morel, M.; Saravanos, D. A.; Chamis, Christos C.

1990-01-01

A method is presented to minimize the residual matrix stresses in metal matrix composites. Fabrication parameters such as temperature and consolidation pressure are optimized concurrently with the characteristics (i.e., modulus, coefficient of thermal expansion, strength, and interphase thickness) of a fiber-matrix interphase. By including the interphase properties in the fabrication process, lower residual stresses are achievable. Results for an ultra-high modulus graphite (P100)/copper composite show a reduction of 21 percent for the maximum matrix microstress when optimizing the fabrication process alone. Concurrent optimization of the fabrication process and interphase properties show a 41 percent decrease in the maximum microstress. Therefore, this optimization method demonstrates the capability of reducing residual microstresses by altering the temperature and consolidation pressure histories and tailoring the interphase properties for an improved composite material. In addition, the results indicate that the consolidation pressures are the most important fabrication parameters, and the coefficient of thermal expansion is the most critical interphase property.

A rapid method for optimization of the rocket propulsion system for single-stage-to-orbit vehicles

NASA Technical Reports Server (NTRS)

Eldred, C. H.; Gordon, S. V.

1976-01-01

A rapid analytical method for the optimization of rocket propulsion systems is presented for a vertical take-off, horizontal landing, single-stage-to-orbit launch vehicle. This method utilizes trade-offs between propulsion characteristics affecting flight performance and engine system mass. The performance results from a point-mass trajectory optimization program are combined with a linearized sizing program to establish vehicle sizing trends caused by propulsion system variations. The linearized sizing technique was developed for the class of vehicle systems studied herein. The specific examples treated are the optimization of nozzle expansion ratio and lift-off thrust-to-weight ratio to achieve either minimum gross mass or minimum dry mass. Assumed propulsion system characteristics are high chamber pressure, liquid oxygen and liquid hydrogen propellants, conventional bell nozzles, and the same fixed nozzle expansion ratio for all engines on a vehicle.

A Boussinesq-scaled, pressure-Poisson water wave model

NASA Astrophysics Data System (ADS)

Donahue, Aaron S.; Zhang, Yao; Kennedy, Andrew B.; Westerink, Joannes J.; Panda, Nishant; Dawson, Clint

2015-02-01

Through the use of Boussinesq scaling we develop and test a model for resolving non-hydrostatic pressure profiles in nonlinear wave systems over varying bathymetry. A Green-Nagdhi type polynomial expansion is used to resolve the pressure profile along the vertical axis, this is then inserted into the pressure-Poisson equation, retaining terms up to a prescribed order and solved using a weighted residual approach. The model shows rapid convergence properties with increasing order of polynomial expansion which can be greatly improved through the application of asymptotic rearrangement. Models of Boussinesq scaling of the fully nonlinear O (μ2) and weakly nonlinear O (μN) are presented, the analytical and numerical properties of O (μ2) and O (μ4) models are discussed. Optimal basis functions in the Green-Nagdhi expansion are determined through manipulation of the free-parameters which arise due to the Boussinesq scaling. The optimal O (μ2) model has dispersion accuracy equivalent to a Padé [2,2] approximation with one extra free-parameter. The optimal O (μ4) model obtains dispersion accuracy equivalent to a Padé [4,4] approximation with two free-parameters which can be used to optimize shoaling or nonlinear properties. In comparison to experimental results the O (μ4) model shows excellent agreement to experimental data.

Thermal expansion in the nickel-chromium-aluminum and cobalt-chromium-aluminum systems to 1200 degrees C

NASA Technical Reports Server (NTRS)

Lowell, C. E.; Garlick, R. G.; Henry, B.

1975-01-01

Thermal expansion data were obtained on 12 Ni-Cr-Al and 9 Co-Cr-Al alloys by high temperature X-ray diffraction. The data were computer fit to an empirical thermal expansion equation developed in the study. It is shown that the fit is excellent to good, and that the expansion constants depend on phase but not on composition. Phases for the Ni-Cr-Al system and Co-Cr-Al system are given. Results indicate that only alpha Cr has an expansion constant low enough to minimize oxide spalling or coating cracking induced by thermal expansion mismatch.

PLASTIC-SASS--A COMPUTER PROGRAM FOR STRESSES AND DEFLECTIONS IN A REACTOR SUBASSEMBLY UNDER THERMAL, HYDRAULIC, AND FUEL EXPANSION LOADS

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

Friedrich, C.M.

1963-05-01

PLASTlC-SASS, an ALTAC-3 computer program that determines stresses and deflections in a flat-plate, rectangular reactor subassembly is described. Elastic, plastic, and creep properties are used to calculate the results of temperature, pressure, and fuel expansion. Plate deflections increase or decrease local channel thicknesses and thus produce a hydraulic load which is a function of fuel plate deflection. (auth)

[Ecological suitability assessment and optimization of urban land expansion space in Guiyang City].

PubMed

Qiu, Cong-hao; Li, Yang-bing; Feng, Yuan-song

2015-09-01

Based on the case study of Guiyang City, the minimum cumulative resistance model integrating construction land source, ecological rigid constraints and ecological function type resistance factor, was built by use of cost-distance analysis of urban spatial expansion resistance value through ArcGIS 9.3 software in this paper. Then, the ecological resistance of city spatial expansion of Guiyang from 2010 was simulated dynamically and the ecological suitability classification of city spatial expansion was assessed. According to the conflict between the newly increased city construction land in 2014 and its ecological suitability, the unreasonable city land spatial allocation was discussed also. The results showed that the ecological suitability zonation and the city expansion in the study area were basically consistent during 2010-2014, but the conflict between the new city construction and its land ecological suitability was more serious. The ecological conflict area accounted for 58.2% of the new city construction sites, 35.4% of which happened in the ecological control area, 13.9% in the limited development area and 8.9% in the prohibition development area. The intensification of ecological land use conflict would impair the ecological service function and ecological safety, so this paper put forward the city spatial expansion optimal path to preserve the ecological land and improve the construction land space pattern of Guiyang City so as to ensure its ecological safety.

Generation Expansion Planning With Large Amounts of Wind Power via Decision-Dependent Stochastic Programming

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

Zhan, Yiduo; Zheng, Qipeng P.; Wang, Jianhui

Power generation expansion planning needs to deal with future uncertainties carefully, given that the invested generation assets will be in operation for a long time. Many stochastic programming models have been proposed to tackle this challenge. However, most previous works assume predetermined future uncertainties (i.e., fixed random outcomes with given probabilities). In several recent studies of generation assets' planning (e.g., thermal versus renewable), new findings show that the investment decisions could affect the future uncertainties as well. To this end, this paper proposes a multistage decision-dependent stochastic optimization model for long-term large-scale generation expansion planning, where large amounts of windmore » power are involved. In the decision-dependent model, the future uncertainties are not only affecting but also affected by the current decisions. In particular, the probability distribution function is determined by not only input parameters but also decision variables. To deal with the nonlinear constraints in our model, a quasi-exact solution approach is then introduced to reformulate the multistage stochastic investment model to a mixed-integer linear programming model. The wind penetration, investment decisions, and the optimality of the decision-dependent model are evaluated in a series of multistage case studies. The results show that the proposed decision-dependent model provides effective optimization solutions for long-term generation expansion planning.« less

Impact of Pharmacy Practice Model Expansion on Pharmacokinetic Services: Optimization of Vancomycin Dosing and Improved Patient Safety.

PubMed

Han, Zhe; Pettit, Natasha N; Landon, Emily M; Brielmaier, Benjamin D

2017-04-01

Background: The impact of pharmacy interventions on optimizing vancomycin therapy has been described, however interventions vary among studies and the most optimal pharmacy practice model (PPM) for pharmacokinetic (PK) services has not been established. Objective: The purpose of this study is to demonstrate the value of 24 hours a day, 7 days a week (24/7) PK services. Methods: New PK services were implemented in 2 phases with institutional PPM expansion. Phase 1 included universal monitoring by pharmacists with recommendations made to prescribers during business hours. Phase 2 expanded clinical pharmacists' coverage to 24/7 and provided an optional 24/7 pharmacist-managed PK consult service. We compared vancomycin therapeutic trough attainment, dosing, and clinical and safety outcomes between phases 1 and 2 in adult inpatients receiving therapeutic intravenous vancomycin. Results. One hundred and fifty patients were included in each phase. Phase 2 had a greater proportion of vancomycin courses with therapeutic initial trough concentrations (27.5% vs 46.1%; p = 0.002), higher initial trough concentrations (10.9 mcg/mL vs 16.4 mcg/mL; p < 0.001), and optimized initial vancomycin dosing (13.5 mg/kg vs 16.2 mg/kg; p < 0.001). Phase 2 also saw significant reduction in the incidence of vancomycin-associated nephrotoxicity (21.1% vs 11.7%; p = 0.038). Dose optimization and improvement in initial target trough attainment were most notable among intensive care unit (ICU) patients. Conclusions. Our study demonstrated that 24/7 PK services implemented with institutional PPM expansion optimized vancomycin target trough attainment and improved patient safety.

Program and charts for determining shock tube, and expansion tunnel flow quantities for real air

NASA Technical Reports Server (NTRS)

Miller, C. G., III; Wilder, S. E.

1975-01-01

A computer program in FORTRAN 4 language was written to determine shock tube, expansion tube, and expansion tunnel flow quantities for real-air test gas. This program permits, as input data, a number of possible combinations of flow quantities generally measured during a test. The versatility of the program is enhanced by the inclusion of such effects as a standing or totally reflected shock at the secondary diaphragm, thermochemical-equilibrium flow expansion and frozen flow expansion for the expansion tube and expansion tunnel, attenuation of the flow in traversing the acceleration section of the expansion tube, real air as the acceleration gas, and the effect of wall boundary layer on the acceleration section air flow. Charts which provide a rapid estimation of expansion tube performance prior to a test are included.

Implementation of a state-to-state analytical framework for the calculation of expansion tube flow properties

NASA Astrophysics Data System (ADS)

James, C. M.; Gildfind, D. E.; Lewis, S. W.; Morgan, R. G.; Zander, F.

2018-03-01

Expansion tubes are an important type of test facility for the study of planetary entry flow-fields, being the only type of impulse facility capable of simulating the aerothermodynamics of superorbital planetary entry conditions from 10 to 20 km/s. However, the complex flow processes involved in expansion tube operation make it difficult to fully characterise flow conditions, with two-dimensional full facility computational fluid dynamics simulations often requiring tens or hundreds of thousands of computational hours to complete. In an attempt to simplify this problem and provide a rapid flow condition prediction tool, this paper presents a validated and comprehensive analytical framework for the simulation of an expansion tube facility. It identifies central flow processes and models them from state to state through the facility using established compressible and isentropic flow relations, and equilibrium and frozen chemistry. How the model simulates each section of an expansion tube is discussed, as well as how the model can be used to simulate situations where flow conditions diverge from ideal theory. The model is then validated against experimental data from the X2 expansion tube at the University of Queensland.

Photofragmentation of Gas-Phase Lanthanide Cyclopentadienyl Complexes: Experimental and Time-Dependent Excited-State Molecular Dynamics

PubMed Central

2015-01-01

Unimolecular gas-phase laser-photodissociation reaction mechanisms of open-shell lanthanide cyclopentadienyl complexes, Ln(Cp)3 and Ln(TMCp)3, are analyzed from experimental and computational perspectives. The most probable pathways for the photoreactions are inferred from photoionization time-of-flight mass spectrometry (PI-TOF-MS), which provides the sequence of reaction intermediates and the distribution of final products. Time-dependent excited-state molecular dynamics (TDESMD) calculations provide insight into the electronic mechanisms for the individual steps of the laser-driven photoreactions for Ln(Cp)3. Computational analysis correctly predicts several key reaction products as well as the observed branching between two reaction pathways: (1) ligand ejection and (2) ligand cracking. Simulations support our previous assertion that both reaction pathways are initiated via a ligand-to-metal charge-transfer (LMCT) process. For the more complex chemistry of the tetramethylcyclopentadienyl complexes Ln(TMCp)3, TMESMD is less tractable, but computational geometry optimization reveals the structures of intermediates deduced from PI-TOF-MS, including several classic “tuck-in” structures and products of Cp ring expansion. The results have important implications for metal–organic catalysis and laser-assisted metal–organic chemical vapor deposition (LCVD) of insulators with high dielectric constants. PMID:24910492

Hypoxic Three-Dimensional Scaffold-Free Aggregate Cultivation of Mesenchymal Stem Cells in a Stirred Tank Reactor.

PubMed

Egger, Dominik; Schwedhelm, Ivo; Hansmann, Jan; Kasper, Cornelia

2017-05-23

Extensive expansion of mesenchymal stem cells (MSCs) for cell-based therapies remains challenging since long-term cultivation and excessive passaging in two-dimensional conditions result in a loss of essential stem cell properties. Indeed, low survival rate of cells, alteration of surface marker profiles, and reduced differentiation capacity are observed after in vitro expansion and reduce therapeutic success in clinical studies. Remarkably, cultivation of MSCs in three-dimensional aggregates preserve stem cell properties. Hence, the large scale formation and cultivation of MSC aggregates is highly desirable. Besides other effects, MSCs cultivated under hypoxic conditions are known to display increased proliferation and genetic stability. Therefore, in this study we demonstrate cultivation of adipose derived human MSC aggregates in a stirred tank reactor under hypoxic conditions. Although aggregates were exposed to comparatively high average shear stress of 0.2 Pa as estimated by computational fluid dynamics, MSCs displayed a viability of 78-86% and maintained their surface marker profile and differentiation potential after cultivation. We postulate that cultivation of 3D MSC aggregates in stirred tank reactors is valuable for large-scale production of MSCs or their secreted compounds after further optimization of cultivation parameters.

A polynomial chaos expansion based molecular dynamics study for probabilistic strength analysis of nano-twinned copper

NASA Astrophysics Data System (ADS)

Mahata, Avik; Mukhopadhyay, Tanmoy; Adhikari, Sondipon

2016-03-01

Nano-twinned structures are mechanically stronger, ductile and stable than its non-twinned form. We have investigated the effect of varying twin spacing and twin boundary width (TBW) on the yield strength of the nano-twinned copper in a probabilistic framework. An efficient surrogate modelling approach based on polynomial chaos expansion has been proposed for the analysis. Effectively utilising 15 sets of expensive molecular dynamics simulations, thousands of outputs have been obtained corresponding to different sets of twin spacing and twin width using virtual experiments based on the surrogates. One of the major outcomes of this work is that there exists an optimal combination of twin boundary spacing and twin width until which the strength can be increased and after that critical point the nanowires weaken. This study also reveals that the yield strength of nano-twinned copper is more sensitive to TBW than twin spacing. Such robust inferences have been possible to be drawn only because of applying the surrogate modelling approach, which makes it feasible to obtain results corresponding to 40 000 combinations of different twin boundary spacing and twin width in a computationally efficient framework.

A goal-based angular adaptivity method for thermal radiation modelling in non grey media

NASA Astrophysics Data System (ADS)

Soucasse, Laurent; Dargaville, Steven; Buchan, Andrew G.; Pain, Christopher C.

2017-10-01

This paper investigates for the first time a goal-based angular adaptivity method for thermal radiation transport, suitable for non grey media when the radiation field is coupled with an unsteady flow field through an energy balance. Anisotropic angular adaptivity is achieved by using a Haar wavelet finite element expansion that forms a hierarchical angular basis with compact support and does not require any angular interpolation in space. The novelty of this work lies in (1) the definition of a target functional to compute the goal-based error measure equal to the radiative source term of the energy balance, which is the quantity of interest in the context of coupled flow-radiation calculations; (2) the use of different optimal angular resolutions for each absorption coefficient class, built from a global model of the radiative properties of the medium. The accuracy and efficiency of the goal-based angular adaptivity method is assessed in a coupled flow-radiation problem relevant for air pollution modelling in street canyons. Compared to a uniform Haar wavelet expansion, the adapted resolution uses 5 times fewer angular basis functions and is 6.5 times quicker, given the same accuracy in the radiative source term.

Uncertainty Quantification for Polynomial Systems via Bernstein Expansions

NASA Technical Reports Server (NTRS)

Crespo, Luis G.; Kenny, Sean P.; Giesy, Daniel P.

2012-01-01

This paper presents a unifying framework to uncertainty quantification for systems having polynomial response metrics that depend on both aleatory and epistemic uncertainties. The approach proposed, which is based on the Bernstein expansions of polynomials, enables bounding the range of moments and failure probabilities of response metrics as well as finding supersets of the extreme epistemic realizations where the limits of such ranges occur. These bounds and supersets, whose analytical structure renders them free of approximation error, can be made arbitrarily tight with additional computational effort. Furthermore, this framework enables determining the importance of particular uncertain parameters according to the extent to which they affect the first two moments of response metrics and failure probabilities. This analysis enables determining the parameters that should be considered uncertain as well as those that can be assumed to be constants without incurring significant error. The analytical nature of the approach eliminates the numerical error that characterizes the sampling-based techniques commonly used to propagate aleatory uncertainties as well as the possibility of under predicting the range of the statistic of interest that may result from searching for the best- and worstcase epistemic values via nonlinear optimization or sampling.

Derivative expansion of wave function equivalent potentials

NASA Astrophysics Data System (ADS)

Sugiura, Takuya; Ishii, Noriyoshi; Oka, Makoto

2017-04-01

Properties of the wave function equivalent potentials introduced by the HAL QCD collaboration are studied in a nonrelativistic coupled-channel model. The derivative expansion is generalized, and then applied to the energy-independent and nonlocal potentials. The expansion coefficients are determined from analytic solutions to the Nambu-Bethe-Salpeter wave functions. The scattering phase shifts computed from these potentials are compared with the exact values to examine the convergence of the expansion. It is confirmed that the generalized derivative expansion converges in terms of the scattering phase shift rather than the functional structure of the non-local potentials. It is also found that the convergence can be improved by tuning either the choice of interpolating fields or expansion scale in the generalized derivative expansion.

Providing an Optimal School Context for Talent Development: An Extended Curriculum Program in Practice

ERIC Educational Resources Information Center

Kronborg, Leonie; Plunkett, Margaret

2015-01-01

Developing the talents of academically able students in government secondary schools in Victoria, Australia, has recently gained support through the expansion of Select Entry Accelerated Learning (SEAL) Programs. In the private sector, a similar expansion of interest in talent development has occurred through the development and implementation of…

Linear precoding based on polynomial expansion: reducing complexity in massive MIMO.

PubMed

Mueller, Axel; Kammoun, Abla; Björnson, Emil; Debbah, Mérouane

Massive multiple-input multiple-output (MIMO) techniques have the potential to bring tremendous improvements in spectral efficiency to future communication systems. Counterintuitively, the practical issues of having uncertain channel knowledge, high propagation losses, and implementing optimal non-linear precoding are solved more or less automatically by enlarging system dimensions. However, the computational precoding complexity grows with the system dimensions. For example, the close-to-optimal and relatively "antenna-efficient" regularized zero-forcing (RZF) precoding is very complicated to implement in practice, since it requires fast inversions of large matrices in every coherence period. Motivated by the high performance of RZF, we propose to replace the matrix inversion and multiplication by a truncated polynomial expansion (TPE), thereby obtaining the new TPE precoding scheme which is more suitable for real-time hardware implementation and significantly reduces the delay to the first transmitted symbol. The degree of the matrix polynomial can be adapted to the available hardware resources and enables smooth transition between simple maximum ratio transmission and more advanced RZF. By deriving new random matrix results, we obtain a deterministic expression for the asymptotic signal-to-interference-and-noise ratio (SINR) achieved by TPE precoding in massive MIMO systems. Furthermore, we provide a closed-form expression for the polynomial coefficients that maximizes this SINR. To maintain a fixed per-user rate loss as compared to RZF, the polynomial degree does not need to scale with the system, but it should be increased with the quality of the channel knowledge and the signal-to-noise ratio.

Optimal rotated staggered-grid finite-difference schemes for elastic wave modeling in TTI media

NASA Astrophysics Data System (ADS)

Yang, Lei; Yan, Hongyong; Liu, Hong

2015-11-01

The rotated staggered-grid finite-difference (RSFD) is an effective approach for numerical modeling to study the wavefield characteristics in tilted transversely isotropic (TTI) media. But it surfaces from serious numerical dispersion, which directly affects the modeling accuracy. In this paper, we propose two different optimal RSFD schemes based on the sampling approximation (SA) method and the least-squares (LS) method respectively to overcome this problem. We first briefly introduce the RSFD theory, based on which we respectively derive the SA-based RSFD scheme and the LS-based RSFD scheme. Then different forms of analysis are used to compare the SA-based RSFD scheme and the LS-based RSFD scheme with the conventional RSFD scheme, which is based on the Taylor-series expansion (TE) method. The contrast in numerical accuracy analysis verifies the greater accuracy of the two proposed optimal schemes, and indicates that these schemes can effectively widen the wavenumber range with great accuracy compared with the TE-based RSFD scheme. Further comparisons between these two optimal schemes show that at small wavenumbers, the SA-based RSFD scheme performs better, while at large wavenumbers, the LS-based RSFD scheme leads to a smaller error. Finally, the modeling results demonstrate that for the same operator length, the SA-based RSFD scheme and the LS-based RSFD scheme can achieve greater accuracy than the TE-based RSFD scheme, while for the same accuracy, the optimal schemes can adopt shorter difference operators to save computing time.

Computer Innovations in Education.

ERIC Educational Resources Information Center

Molnar, Andrew R.

Computers in education are put in context by a brief review of current social and technological trends, a short history of the development of computers and the vast expansion of their use, and a brief description of computers and their use. Further chapters describe instructional applications, administrative uses, uses of computers for libraries…

Sparse gammatone signal model optimized for English speech does not match the human auditory filters.

PubMed

Strahl, Stefan; Mertins, Alfred

2008-07-18

Evidence that neurosensory systems use sparse signal representations as well as improved performance of signal processing algorithms using sparse signal models raised interest in sparse signal coding in the last years. For natural audio signals like speech and environmental sounds, gammatone atoms have been derived as expansion functions that generate a nearly optimal sparse signal model (Smith, E., Lewicki, M., 2006. Efficient auditory coding. Nature 439, 978-982). Furthermore, gammatone functions are established models for the human auditory filters. Thus far, a practical application of a sparse gammatone signal model has been prevented by the fact that deriving the sparsest representation is, in general, computationally intractable. In this paper, we applied an accelerated version of the matching pursuit algorithm for gammatone dictionaries allowing real-time and large data set applications. We show that a sparse signal model in general has advantages in audio coding and that a sparse gammatone signal model encodes speech more efficiently in terms of sparseness than a sparse modified discrete cosine transform (MDCT) signal model. We also show that the optimal gammatone parameters derived for English speech do not match the human auditory filters, suggesting for signal processing applications to derive the parameters individually for each applied signal class instead of using psychometrically derived parameters. For brain research, it means that care should be taken with directly transferring findings of optimality for technical to biological systems.

SU-F-J-102: Lower Esophagus Margin Implications Based On Rapid Computational Algorithm for SBRT

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

Cardenas, M; Mazur, T; Li, H

2016-06-15

Purpose: To quantify inter-fraction esophagus-variation. Methods: Computed tomography and daily on-treatment 0.3-T MRI data sets for 7 patients were analyzed using a novel Matlab-based (Mathworks, Natick, MA) rapid computational method. Rigid registration was performed from the cricoid to the gastro-esophageal junction. CT and MR-based contours were compared at slice intervals of 3mm. Variation was quantified by “expansion,” defined as additional length in any radial direction from CT contour to MR contour. Expansion computations were performed with 360° of freedom in each axial slice. We partitioned expansions into left anterior, right anterior, right posterior, and left posterior quadrants (LA, RA, RP,more » and LP, respectively). Sample means were compared by analysis of variance (ANOVA) and Fisher’s Protected Least Significant Difference test. Results: Fifteen fractions and 1121 axial slices from 7 patients undergoing SBRT for primary lung cancer (3) and metastatic lung disease (4) were analyzed, generating 41,970 measurements. Mean LA, RA, RP, and LP expansions were 4.30±0.05 mm, 3.71±0.05mm, 3.17±0.07, and 3.98±0.06mm, respectively. 50.13% of all axial slices showed variation > 5 mm in one or more directions. Variation was greatest in lower esophagus with mean LA, RA, RP, and LP expansion (5.98±0.09 mm, 4.59±0.09 mm, 4.04±0.16 mm, and 5.41±0.16 mm, respectively). The difference was significant compared to mid and upper esophagus (p<.0001). The 95th percentiles of expansion for LA, RA, RP, LP were 13.36 mm, 9.97 mm, 11.29 mm, and 12.19 mm, respectively. Conclusion: Analysis of on-treatment MR imaging of the lower esophagus during thoracic SBRT suggests margin expansions of 13.36 mm LA, 9.97 mm RA, 11.29 mm RP, 12.19 mm LP would account for 95% of measurements. Our novel algorithm for rapid assessment of margin expansion for critical structures with 360° of freedom in each axial slice enables continuously adaptive patient-specific margins which may reduce overlap with high-dose regions.« less

Coupling long and short term decisions in the design of urban water supply infrastructure for added reliability and flexibility

NASA Astrophysics Data System (ADS)

Marques, G.; Fraga, C. C. S.; Medellin-Azuara, J.

2016-12-01

The expansion and operation of urban water supply systems under growing demands, hydrologic uncertainty and water scarcity requires a strategic combination of supply sources for reliability, reduced costs and improved operational flexibility. The design and operation of such portfolio of water supply sources involves integration of long and short term planning to determine what and when to expand, and how much to use of each supply source accounting for interest rates, economies of scale and hydrologic variability. This research presents an integrated methodology coupling dynamic programming optimization with quadratic programming to optimize the expansion (long term) and operations (short term) of multiple water supply alternatives. Lagrange Multipliers produced by the short-term model provide a signal about the marginal opportunity cost of expansion to the long-term model, in an iterative procedure. A simulation model hosts the water supply infrastructure and hydrologic conditions. Results allow (a) identification of trade offs between cost and reliability of different expansion paths and water use decisions; (b) evaluation of water transfers between urban supply systems; and (c) evaluation of potential gains by reducing water system losses as a portfolio component. The latter is critical in several developing countries where water supply system losses are high and often neglected in favor of more system expansion.

Facilitators and barriers in expanding scope of practice: findings from a national survey of Irish nurses and midwives.

PubMed

Fealy, Gerard M; Rohde, Daniela; Casey, Mary; Brady, Anne-Marie; Hegarty, Josephine; Kennedy, Catriona; McNamara, Martin; O'Reilly, Pauline; Prizeman, Geraldine

2015-12-01

The aim was to examine current scope of practice among nurses and midwives in Ireland. The objectives were to describe practitioners' self-reported facilitators and barriers to expanding scope of practice and to develop a scope of practice barriers scale. Regulatory authorities permit practice expansion, so long as it falls within accepted parameters of scope of practice. Enduring difficulties in relation to scope of practice include the difficulty of balancing practice restriction with practice expansion. A postal survey design was used to examine registered nurses' and midwives' current scope of practice, including their experiences of facilitators and barriers to expanding practice. A stratified random sample of registered nurses and midwives in Ireland was surveyed using the Scope-QB, a 19-item self-report scope of practice barriers scale. Based on a sample of 1010 respondents, the self-reported perceived barriers to practice expansion included fear of legal consequences, time restrictions and lack of remuneration. Professional satisfaction, patients' needs, organisational support and having access to continuing professional education were perceived as facilitators of practice expansion. Older nurses and midwives as well as nurses and midwives holding more senior promotional grades, such as clinical nurse manager grades, perceived fewer barriers than their younger and more junior counterparts. Nurses and midwives continue to experience difficulties in relation to expanding their practice. Practitioners can operate to optimal scope of practice when practitioner-centred and workplace-based circumstances are optimal. The optimal circumstances for practice expansion exist when the facilitators of practice expansion outweigh the barriers. Given the critical role that nurses and midwives play in modern health services, it is important that they are empowered and enabled to expand their practice and to work to full scope of practice when patient needs and service requirements warrant it. © 2015 John Wiley & Sons Ltd.

Bounding the Failure Probability Range of Polynomial Systems Subject to P-box Uncertainties

NASA Technical Reports Server (NTRS)

Crespo, Luis G.; Kenny, Sean P.; Giesy, Daniel P.

2012-01-01

This paper proposes a reliability analysis framework for systems subject to multiple design requirements that depend polynomially on the uncertainty. Uncertainty is prescribed by probability boxes, also known as p-boxes, whose distribution functions have free or fixed functional forms. An approach based on the Bernstein expansion of polynomials and optimization is proposed. In particular, we search for the elements of a multi-dimensional p-box that minimize (i.e., the best-case) and maximize (i.e., the worst-case) the probability of inner and outer bounding sets of the failure domain. This technique yields intervals that bound the range of failure probabilities. The offset between this bounding interval and the actual failure probability range can be made arbitrarily tight with additional computational effort.

Dynamics of information diffusion and its applications on complex networks

NASA Astrophysics Data System (ADS)

Zhang, Zi-Ke; Liu, Chuang; Zhan, Xiu-Xiu; Lu, Xin; Zhang, Chu-Xu; Zhang, Yi-Cheng

2016-09-01

The ongoing rapid expansion of the Word Wide Web (WWW) greatly increases the information of effective transmission from heterogeneous individuals to various systems. Extensive research for information diffusion is introduced by a broad range of communities including social and computer scientists, physicists, and interdisciplinary researchers. Despite substantial theoretical and empirical studies, unification and comparison of different theories and approaches are lacking, which impedes further advances. In this article, we review recent developments in information diffusion and discuss the major challenges. We compare and evaluate available models and algorithms to respectively investigate their physical roles and optimization designs. Potential impacts and future directions are discussed. We emphasize that information diffusion has great scientific depth and combines diverse research fields which makes it interesting for physicists as well as interdisciplinary researchers.

Multivariate statistics of the Jacobian matrices in tensor based morphometry and their application to HIV/AIDS.

PubMed

Lepore, Natasha; Brun, Caroline A; Chiang, Ming-Chang; Chou, Yi-Yu; Dutton, Rebecca A; Hayashi, Kiralee M; Lopez, Oscar L; Aizenstein, Howard J; Toga, Arthur W; Becker, James T; Thompson, Paul M

2006-01-01

Tensor-based morphometry (TBM) is widely used in computational anatomy as a means to understand shape variation between structural brain images. A 3D nonlinear registration technique is typically used to align all brain images to a common neuroanatomical template, and the deformation fields are analyzed statistically to identify group differences in anatomy. However, the differences are usually computed solely from the determinants of the Jacobian matrices that are associated with the deformation fields computed by the registration procedure. Thus, much of the information contained within those matrices gets thrown out in the process. Only the magnitude of the expansions or contractions is examined, while the anisotropy and directional components of the changes are ignored. Here we remedy this problem by computing multivariate shape change statistics using the strain matrices. As the latter do not form a vector space, means and covariances are computed on the manifold of positive-definite matrices to which they belong. We study the brain morphology of 26 HIV/AIDS patients and 14 matched healthy control subjects using our method. The images are registered using a high-dimensional 3D fluid registration algorithm, which optimizes the Jensen-Rényi divergence, an information-theoretic measure of image correspondence. The anisotropy of the deformation is then computed. We apply a manifold version of Hotelling's T2 test to the strain matrices. Our results complement those found from the determinants of the Jacobians alone and provide greater power in detecting group differences in brain structure.

A two-parameter family of double-power-law biorthonormal potential-density expansions

NASA Astrophysics Data System (ADS)

Lilley, Edward J.; Sanders, Jason L.; Evans, N. Wyn

2018-07-01

We present a two-parameter family of biorthonormal double-power-law potential-density expansions. Both the potential and density are given in a closed analytic form and may be rapidly computed via recurrence relations. We show that this family encompasses all the known analytic biorthonormal expansions: the Zhao expansions (themselves generalizations of ones found earlier by Hernquist & Ostriker and by Clutton-Brock) and the recently discovered Lilley et al. expansion. Our new two-parameter family includes expansions based around many familiar spherical density profiles as zeroth-order models, including the γ models and the Jaffe model. It also contains a basis expansion that reproduces the famous Navarro-Frenk-White (NFW) profile at zeroth order. The new basis expansions have been found via a systematic methodology which has wide applications in finding other new expansions. In the process, we also uncovered a novel integral transform solution to Poisson's equation.

A two-parameter family of double-power-law biorthonormal potential-density expansions

NASA Astrophysics Data System (ADS)

Lilley, Edward J.; Sanders, Jason L.; Evans, N. Wyn

2018-05-01

We present a two-parameter family of biorthonormal double-power-law potential-density expansions. Both the potential and density are given in closed analytic form and may be rapidly computed via recurrence relations. We show that this family encompasses all the known analytic biorthonormal expansions: the Zhao expansions (themselves generalizations of ones found earlier by Hernquist & Ostriker and by Clutton-Brock) and the recently discovered Lilley et al. (2017a) expansion. Our new two-parameter family includes expansions based around many familiar spherical density profiles as zeroth-order models, including the γ models and the Jaffe model. It also contains a basis expansion that reproduces the famous Navarro-Frenk-White (NFW) profile at zeroth order. The new basis expansions have been found via a systematic methodology which has wide applications in finding other new expansions. In the process, we also uncovered a novel integral transform solution to Poisson's equation.

A two-parameter family of double-power-law biorthonormal potential-density expansions

NASA Astrophysics Data System (ADS)

Lilley, Edward J.; Sanders, Jason L.; Evans, N. Wyn

2018-05-01

We present a two-parameter family of biorthonormal double-power-law potential-density expansions. Both the potential and density are given in closed analytic form and may be rapidly computed via recurrence relations. We show that this family encompasses all the known analytic biorthonormal expansions: the Zhao expansions (themselves generalizations of ones found earlier by Hernquist & Ostriker and by Clutton-Brock) and the recently discovered Lilley et al. (2018b) expansion. Our new two-parameter family includes expansions based around many familiar spherical density profiles as zeroth-order models, including the γ models and the Jaffe model. It also contains a basis expansion that reproduces the famous Navarro-Frenk-White (NFW) profile at zeroth order. The new basis expansions have been found via a systematic methodology which has wide applications in finding other new expansions. In the process, we also uncovered a novel integral transform solution to Poisson's equation.

The computation of pi to 29,360,000 decimal digits using Borweins' quartically convergent algorithm

NASA Technical Reports Server (NTRS)

Bailey, David H.

1988-01-01

The quartically convergent numerical algorithm developed by Borwein and Borwein (1987) for 1/pi is implemented via a prime-modulus-transform multiprecision technique on the NASA Ames Cray-2 supercomputer to compute the first 2.936 x 10 to the 7th digits of the decimal expansion of pi. The history of pi computations is briefly recalled; the most recent algorithms are characterized; the implementation procedures are described; and samples of the output listing are presented. Statistical analyses show that the present decimal expansion is completely random, with only acceptable numbers of long repeating strings and single-digit runs.

Experiments on Interfaces To Support Query Expansion.

ERIC Educational Resources Information Center

Beaulieu, M.

1997-01-01

Focuses on the user and human-computer interaction aspects of the research based on the Okapi text retrieval system. Three experiments implementing different approaches to query expansion are described, including the use of graphical user interfaces with different windowing techniques. (Author/LRW)

On computing the geoelastic response to a disk load

NASA Astrophysics Data System (ADS)

Bevis, M.; Melini, D.; Spada, G.

2016-06-01

We review the theory of the Earth's elastic and gravitational response to a surface disk load. The solutions for displacement of the surface and the geoid are developed using expansions of Legendre polynomials, their derivatives and the load Love numbers. We provide a MATLAB function called diskload that computes the solutions for both uncompensated and compensated disk loads. In order to numerically implement the Legendre expansions, it is necessary to choose a harmonic degree, nmax, at which to truncate the series used to construct the solutions. We present a rule of thumb (ROT) for choosing an appropriate value of nmax, describe the consequences of truncating the expansions prematurely and provide a means to judiciously violate the ROT when that becomes a practical necessity.

Statistics of the stochastically forced Lorenz attractor by the Fokker-Planck equation and cumulant expansions.

PubMed

Allawala, Altan; Marston, J B

2016-11-01

We investigate the Fokker-Planck description of the equal-time statistics of the three-dimensional Lorenz attractor with additive white noise. The invariant measure is found by computing the zero (or null) mode of the linear Fokker-Planck operator as a problem of sparse linear algebra. Two variants are studied: a self-adjoint construction of the linear operator and the replacement of diffusion with hyperdiffusion. We also access the low-order statistics of the system by a perturbative expansion in equal-time cumulants. A comparison is made to statistics obtained by the standard approach of accumulation via direct numerical simulation. Theoretical and computational aspects of the Fokker-Planck and cumulant expansion methods are discussed.

Analytical guidance law development for aerocapture at Mars

NASA Technical Reports Server (NTRS)

Calise, A. J.

1992-01-01

During the first part of this reporting period research has concentrated on performing a detailed evaluation, to zero order, of the guidance algorithm developed in the first period taking the numerical approach developed in the third period. A zero order matched asymptotic expansion (MAE) solution that closely satisfies a set of 6 implicit equations in 6 unknowns to an accuracy of 10(exp -10), was evaluated. Guidance law implementation entails treating the current state as a new initial state and repetitively solving the MAE problem to obtain the feedback controls. A zero order guided solution was evaluated and compared with optimal solution that was obtained by numerical methods. Numerical experience shows that the zero order guided solution is close to optimal solution, and that the zero order MAE outer solution plays a critical role in accounting for the variations in Loh's term near the exit phase of the maneuver. However, the deficiency that remains in several of the critical variables indicates the need for a first order correction. During the second part of this period, methods for computing a first order correction were explored.

Optimizing phonon space in the phonon-coupling model

NASA Astrophysics Data System (ADS)

Tselyaev, V.; Lyutorovich, N.; Speth, J.; Reinhard, P.-G.

2017-08-01

We present a new scheme to select the most relevant phonons in the phonon-coupling model, named here the time-blocking approximation (TBA). The new criterion, based on the phonon-nucleon coupling strengths rather than on B (E L ) values, is more selective and thus produces much smaller phonon spaces in the TBA. This is beneficial in two respects: first, it curbs the computational cost, and second, it reduces the danger of double counting in the expansion basis of the TBA. We use here the TBA in a form where the coupling strength is regularized to keep the given Hartree-Fock ground state stable. The scheme is implemented in a random-phase approximation and TBA code based on the Skyrme energy functional. We first explore carefully the cutoff dependence with the new criterion and can work out a natural (optimal) cutoff parameter. Then we use the freshly developed and tested scheme for a survey of giant resonances and low-lying collective states in six doubly magic nuclei looking also at the dependence of the results when varying the Skyrme parametrization.

Superpixel-based graph cuts for accurate stereo matching

NASA Astrophysics Data System (ADS)

Feng, Liting; Qin, Kaihuai

2017-06-01

Estimating the surface normal vector and disparity of a pixel simultaneously, also known as three-dimensional label method, has been widely used in recent continuous stereo matching problem to achieve sub-pixel accuracy. However, due to the infinite label space, it’s extremely hard to assign each pixel an appropriate label. In this paper, we present an accurate and efficient algorithm, integrating patchmatch with graph cuts, to approach this critical computational problem. Besides, to get robust and precise matching cost, we use a convolutional neural network to learn a similarity measure on small image patches. Compared with other MRF related methods, our method has several advantages: its sub-modular property ensures a sub-problem optimality which is easy to perform in parallel; graph cuts can simultaneously update multiple pixels, avoiding local minima caused by sequential optimizers like belief propagation; it uses segmentation results for better local expansion move; local propagation and randomization can easily generate the initial solution without using external methods. Middlebury experiments show that our method can get higher accuracy than other MRF-based algorithms.

A nonlinear H-infinity approach to optimal control of the depth of anaesthesia

NASA Astrophysics Data System (ADS)

Rigatos, Gerasimos; Rigatou, Efthymia; Zervos, Nikolaos

2016-12-01

Controlling the level of anaesthesia is important for improving the success rate of surgeries and for reducing the risks to which operated patients are exposed. This paper proposes a nonlinear H-infinity approach to optimal control of the level of anaesthesia. The dynamic model of the anaesthesia, which describes the concentration of the anaesthetic drug in different parts of the body, is subjected to linearization at local operating points. These are defined at each iteration of the control algorithm and consist of the present value of the system's state vector and of the last control input that was exerted on it. For this linearization Taylor series expansion is performed and the system's Jacobian matrices are computed. For the linearized model an H-infinity controller is designed. The feedback control gains are found by solving at each iteration of the control algorithm an algebraic Riccati equation. The modelling errors due to this approximate linearization are considered as disturbances which are compensated by the robustness of the control loop. The stability of the control loop is confirmed through Lyapunov analysis.

A real-time approximate optimal guidance law for flight in a plane

NASA Technical Reports Server (NTRS)

Feeley, Timothy S.; Speyer, Jason L.

1990-01-01

A real-time guidance scheme is presented for the problem of maximizing the payload into orbit subject to the equations of motion of a rocket over a nonrotating spherical earth. The flight is constrained to a path in the equatorial plane while reaching an orbital altitude at orbital injection speeds. The dynamics of the problem can be separated into primary and perturbation effects by a small parameter, epsilon, which is the ratio of the atmospheric scale height to the radius of the earth. The Hamilton-Jacobi-Bellman or dynamic programming equation is expanded in an asymptotic series where the zeroth-order term (epsilon = 0) can be obtained in closed form. The neglected perturbation terms are included in the higher-order terms of the expansion, which are determined from the solution of first-order linear partial differential equations requiring only integrations which are quadratures. The quadratures can be performed rapidly with emerging computer capability, so that real-time approximate optimization can be used to construct the launch guidance law. The application of this technique to flight in three-dimensions is made apparent from the solution presented.

A Computer Code for Swirling Turbulent Axisymmetric Recirculating Flows in Practical Isothermal Combustor Geometries

NASA Technical Reports Server (NTRS)

Lilley, D. G.; Rhode, D. L.

1982-01-01

A primitive pressure-velocity variable finite difference computer code was developed to predict swirling recirculating inert turbulent flows in axisymmetric combustors in general, and for application to a specific idealized combustion chamber with sudden or gradual expansion. The technique involves a staggered grid system for axial and radial velocities, a line relaxation procedure for efficient solution of the equations, a two-equation k-epsilon turbulence model, a stairstep boundary representation of the expansion flow, and realistic accommodation of swirl effects. A user's manual, dealing with the computational problem, showing how the mathematical basis and computational scheme may be translated into a computer program is presented. A flow chart, FORTRAN IV listing, notes about various subroutines and a user's guide are supplied as an aid to prospective users of the code.

Computation of the radiation amplitude of oscillons

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

Fodor, Gyula; Forgacs, Peter; LMPT, CNRS-UMR 6083, Universite de Tours, Parc de Grandmont, 37200 Tours

2009-03-15

The radiation loss of small-amplitude oscillons (very long-living, spatially localized, time-dependent solutions) in one-dimensional scalar field theories is computed in the small-amplitude expansion analytically using matched asymptotic series expansions and Borel summation. The amplitude of the radiation is beyond all orders in perturbation theory and the method used has been developed by Segur and Kruskal in Phys. Rev. Lett. 58, 747 (1987). Our results are in good agreement with those of long-time numerical simulations of oscillons.

Increasing efficiency of human mesenchymal stromal cell culture by optimization of microcarrier concentration and design of medium feed.

PubMed

Chen, Allen Kuan-Liang; Chew, Yi Kong; Tan, Hong Yu; Reuveny, Shaul; Weng Oh, Steve Kah

2015-02-01

Large amounts of human mesenchymal stromal cells (MSCs) are needed for clinical cellular therapy. In a previous publication, we described a microcarrier-based process for expansion of MSCs. The present study optimized this process by selecting suitable basal media, microcarrier concentration and feeding regime to achieve higher cell yields and more efficient medium utilization. MSCs were expanded in stirred cultures on Cytodex 3 microcarriers with media containing 10% fetal bovine serum. Process optimization was carried out in spinner flasks. A 2-L bioreactor with an automated feeding system was used to validate the optimized parameters explored in spinner flask cultures. Minimum essential medium-α-based medium supported faster MSC growth on microcarriers than did Dulbecco's modified Eagle's medium (doubling time, 31.6 ± 1.4 vs 42 ± 1.7 h) and shortened the process time. At microcarrier concentration of 8 mg/mL, a high cell concentration of 1.08 × 10(6) cells/mL with confluent cell concentration of 4.7 × 10(4)cells/cm(2) was achieved. Instead of 50% medium exchange every 2 days, we have designed a full medium feed that is based on glucose consumption rate. The optimal medium feed that consisted of 1.5 g/L glucose supported MSC growth to full confluency while achieving the low medium usage efficiency of 3.29 mL/10(6)cells. Finally, a controlled bioreactor with the optimized parameters achieved maximal confluent cell concentration with 16-fold expansion and a further improved medium usage efficiency of 1.68 mL/10(6)cells. We have optimized the microcarrier-based platform for expansion of MSCs that generated high cell yields in a more efficient and cost-effective manner. This study highlighted the critical parameters in the optimization of MSC production process. Copyright © 2015 International Society for Cellular Therapy. Published by Elsevier Inc. All rights reserved.

Optimal sensor placement for spatial lattice structure based on genetic algorithms

NASA Astrophysics Data System (ADS)

Liu, Wei; Gao, Wei-cheng; Sun, Yi; Xu, Min-jian

2008-10-01

Optimal sensor placement technique plays a key role in structural health monitoring of spatial lattice structures. This paper considers the problem of locating sensors on a spatial lattice structure with the aim of maximizing the data information so that structural dynamic behavior can be fully characterized. Based on the criterion of optimal sensor placement for modal test, an improved genetic algorithm is introduced to find the optimal placement of sensors. The modal strain energy (MSE) and the modal assurance criterion (MAC) have been taken as the fitness function, respectively, so that three placement designs were produced. The decimal two-dimension array coding method instead of binary coding method is proposed to code the solution. Forced mutation operator is introduced when the identical genes appear via the crossover procedure. A computational simulation of a 12-bay plain truss model has been implemented to demonstrate the feasibility of the three optimal algorithms above. The obtained optimal sensor placements using the improved genetic algorithm are compared with those gained by exiting genetic algorithm using the binary coding method. Further the comparison criterion based on the mean square error between the finite element method (FEM) mode shapes and the Guyan expansion mode shapes identified by data-driven stochastic subspace identification (SSI-DATA) method are employed to demonstrate the advantage of the different fitness function. The results showed that some innovations in genetic algorithm proposed in this paper can enlarge the genes storage and improve the convergence of the algorithm. More importantly, the three optimal sensor placement methods can all provide the reliable results and identify the vibration characteristics of the 12-bay plain truss model accurately.

Optimization of computations

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

Mikhalevich, V.S.; Sergienko, I.V.; Zadiraka, V.K.

1994-11-01

This article examines some topics of optimization of computations, which have been discussed at 25 seminar-schools and symposia organized by the V.M. Glushkov Institute of Cybernetics of the Ukrainian Academy of Sciences since 1969. We describe the main directions in the development of computational mathematics and present some of our own results that reflect a certain design conception of speed-optimal and accuracy-optimal (or nearly optimal) algorithms for various classes of problems, as well as a certain approach to optimization of computer computations.

Off-diagonal series expansion for quantum partition functions

NASA Astrophysics Data System (ADS)

Hen, Itay

2018-05-01

We derive an integral-free thermodynamic perturbation series expansion for quantum partition functions which enables an analytical term-by-term calculation of the series. The expansion is carried out around the partition function of the classical component of the Hamiltonian with the expansion parameter being the strength of the off-diagonal, or quantum, portion. To demonstrate the usefulness of the technique we analytically compute to third order the partition functions of the 1D Ising model with longitudinal and transverse fields, and the quantum 1D Heisenberg model.

Tissue regeneration during tissue expansion and choosing an expander

PubMed Central

Agrawal, K.; Agrawal, S.

2012-01-01

This paper reviews the various aspects of tissue regeneration during the process of tissue expansion. “Creep” and mechanical and biological “stretch” are responsible for expansion. During expansion, the epidermis thickens, the dermis thins out, vascularity improves, significant angiogenesis occurs, hair telogen phase becomes shorter and the peripheral nerves, vessels and muscle fibres lengthen. Expansion is associated with molecular changes in the tissue. Almost all these biological changes are reversible after the removal of the expander.This study is also aimed at reviewing the difficulty in deciding the volume and dimension of the expander for a defect. Basic mathematical formulae and the computer programmes for calculating the dimension of tissue expanders, although available in the literature, are not popular. A user-friendly computer programme based on the easily available Microsoft Excel spread sheet has been introduced. When we feed the area of defect and base dimension of the donor area or tissue expander, this programme calculates the volume and height of the expander. The shape of the expander is decided clinically based on the availability of the donor area and the designing of the future tissue movement. Today, tissue expansion is better understood biologically and mechanically. Clinical judgement remains indispensable in choosing the size and shape of the tissue expander. PMID:22754146

Perturbation analysis of the limit cycle of the free van der Pol equation

NASA Technical Reports Server (NTRS)

Dadfar, M. B.; Geer, J.; Anderson, C. M.

1983-01-01

A power series expansion in the damping parameter, epsilon, of the limit cycle of the free van der Pol equation is constructed and analyzed. Coefficients in the expansion are computed in exact rational arithmetic using the symbolic manipulation system MACSYMA and using a FORTRAN program. The series is analyzed using Pade approximants. The convergence of the series for the maximum amplitude of the limit cycle is limited by two pair of complex conjugate singularities in the complex epsilon-plane. A new expansion parameter is introduced which maps these singularities to infinity and leads to a new expansion for the amplitude which converges for all real values of epsilon. Amplitudes computed from this transformed series agree very well with reported numerical and asymptotic results. For the limit cycle itself, convergence of the series expansion is limited by three pair of complex conjugate branch point singularities. Two pair remain fixed throughout the cycle, and correspond to the singularities found in the maximum amplitude series, while the third pair moves in the epsilon-plane as a function of t from one of the fixed pairs to the other. The limit cycle series is transformed using a new expansion parameter, which leads to a new series that converges for larger values of epsilon.

A comparison of homogeneous equilibrium and relaxation model for CO2 expansion inside the two-phase ejector

NASA Astrophysics Data System (ADS)

Palacz, M.; Haida, M.; Smolka, J.; Nowak, A. J.; Hafner, A.

2016-09-01

In this study, the comparison of the accuracy of the homogeneous equilibrium model (HEM) and homogeneous relaxation model (HRM) is presented. Both models were applied to simulate the CO2 expansion inside the two-phase ejectors. Moreover, the mentioned models were implemented in the robust and efficient computational tool ejectorPL. That tool guarantees the fully automated computational process and the repeatable computations for the various ejector shapes and operating conditions. The simulated motive nozzle mass flow rates were compared to the experimentally measured mass flow rates. That comparison was made for both, HEM and HRM. The results showed the unsatisfying fidelity of the HEM for the operating regimes far from the carbon dioxide critical point. On the other hand, the HRM accuracy for such conditions was slightly higher. The approach presented in this paper, showed the limitation of applicability of both two-phase models for the expansion phenomena inside the ejectors.

Real-Time IRI driven by GIRO data

NASA Astrophysics Data System (ADS)

Galkin, Ivan; Huang, Xueqin; Reinisch, Bodo; Bilitza, Dieter; Vesnin, Artem

Real-time extensions of the empirical International Reference Ionosphere (IRI) model are based on assimilative techniques that preserve the IRI formalism which is optimized for the description of climatological ionospheric features. The Global Ionosphere Radio Observatory (GIRO) team has developed critical parts of an IRI Real Time Assimilative Model (IRTAM) for the global ionospheric plasma distribution using measured data available in real time from ~50 ionosondes of the GIRO network, The current assimilation results present global assimilative maps of foF2 and hmF2 that reproduce available data at the sensor sites and smoothly return to the climatological specifications when and where the data are missing, and are free from artificial sharp gradients and short-lived artifacts when viewed in time progression. Animated real-time maps of foF2 and hmF2 are published with a few minutes latency at http://giro.uml.edu/IRTAM/. Our real-time IRI modeling uses morphing, a technique that transforms the climatological ionospheric specifications to match the observations by iteratively computing corrections to the original coefficients of the diurnal/spatial expansions, used in IRI to map the key ionospheric characteristics, while keeping the IRI expansion basis formalism intact. Computation of the updated coefficient set for a given point in time includes analysis of the latest 24-hour history of observations, which allows the morphing technique to sense evolving ionospheric dynamics even with a sparse sensor network. A Non-linear Error Compensation Technique for Associative Restoration (NECTAR), one of the features in our morphing approach, has been in operation at the Lowell GIRO Data Center since 2013. The cornerstone of NECTAR is a recurrent neural network optimizer that is responsible for smoothing the transitions between the grid cells where observations are available. NECTAR has proved suitable for real-time operations that require the assimilation code to be considerate of data uncertainties (noise) and immune to data errors. Future IRTAM work is directed toward accepting a greater diversity of near-real-time sensor data, and the paper discusses potential new data sources and challenges associated with their assimilation.

Large-Scale Culture and Genetic Modification of Human Natural Killer Cells for Cellular Therapy.

PubMed

Lapteva, Natalia; Parihar, Robin; Rollins, Lisa A; Gee, Adrian P; Rooney, Cliona M

2016-01-01

Recent advances in methods for the ex vivo expansion of human natural killer (NK) cells have facilitated the use of these powerful immune cells in clinical protocols. Further, the ability to genetically modify primary human NK cells following rapid expansion allows targeting and enhancement of their immune function. We have successfully adapted an expansion method for primary NK cells from peripheral blood mononuclear cells or from apheresis products in gas permeable rapid expansion devices (G-Rexes). Here, we describe an optimized protocol for rapid and robust NK cell expansion as well as a method for highly efficient retroviral transduction of these ex vivo expanded cells. These methodologies are good manufacturing practice (GMP) compliant and could be used for clinical-grade product manufacturing.

Optimization design of energy deposition on single expansion ramp nozzle

NASA Astrophysics Data System (ADS)

Ju, Shengjun; Yan, Chao; Wang, Xiaoyong; Qin, Yupei; Ye, Zhifei

2017-11-01

Optimization design has been widely used in the aerodynamic design process of scramjets. The single expansion ramp nozzle is an important component for scramjets to produces most of thrust force. A new concept of increasing the aerodynamics of the scramjet nozzle with energy deposition is presented. The essence of the method is to create a heated region in the inner flow field of the scramjet nozzle. In the current study, the two-dimensional coupled implicit compressible Reynolds Averaged Navier-Stokes and Menter's shear stress transport turbulence model have been applied to numerically simulate the flow fields of the single expansion ramp nozzle with and without energy deposition. The numerical results show that the proposal of energy deposition can be an effective method to increase force characteristics of the scramjet nozzle, the thrust coefficient CT increase by 6.94% and lift coefficient CN decrease by 26.89%. Further, the non-dominated sorting genetic algorithm coupled with the Radial Basis Function neural network surrogate model has been employed to determine optimum location and density of the energy deposition. The thrust coefficient CT and lift coefficient CN are selected as objective functions, and the sampling points are obtained numerically by using a Latin hypercube design method. The optimized thrust coefficient CT further increase by 1.94%, meanwhile, the optimized lift coefficient CN further decrease by 15.02% respectively. At the same time, the optimized performances are in good and reasonable agreement with the numerical predictions. The findings suggest that scramjet nozzle design and performance can benefit from the application of energy deposition.

Ontology-based vector space model and fuzzy query expansion to retrieve knowledge on medical computational problem solutions.

PubMed

Bratsas, Charalampos; Koutkias, Vassilis; Kaimakamis, Evangelos; Bamidis, Panagiotis; Maglaveras, Nicos

2007-01-01

Medical Computational Problem (MCP) solving is related to medical problems and their computerized algorithmic solutions. In this paper, an extension of an ontology-based model to fuzzy logic is presented, as a means to enhance the information retrieval (IR) procedure in semantic management of MCPs. We present herein the methodology followed for the fuzzy expansion of the ontology model, the fuzzy query expansion procedure, as well as an appropriate ontology-based Vector Space Model (VSM) that was constructed for efficient mapping of user-defined MCP search criteria and MCP acquired knowledge. The relevant fuzzy thesaurus is constructed by calculating the simultaneous occurrences of terms and the term-to-term similarities derived from the ontology that utilizes UMLS (Unified Medical Language System) concepts by using Concept Unique Identifiers (CUI), synonyms, semantic types, and broader-narrower relationships for fuzzy query expansion. The current approach constitutes a sophisticated advance for effective, semantics-based MCP-related IR.

Soft Expansion of Double-Real-Virtual Corrections to Higgs Production at N$^3$LO

DOE PAGES

Anastasiou, Charalampos; Duhr, Claude; Dulat, Falko; ...

2015-05-15

We present methods to compute higher orders in the threshold expansion for the one-loop production of a Higgs boson in association with two partons at hadron colliders. This process contributes to the N 3LO Higgs production cross section beyond the soft-virtual approximation. We use reverse unitarity to expand the phase-space integrals in the small kinematic parameters and to reduce the coefficients of the expansion to a small set of master integrals. We describe two methods for the calculation of the master integrals. The first was introduced for the calculation of the soft triple-real radiation relevant to N 3LO Higgs production.more » The second uses a particular factorization of the three body phase-space measure and the knowledge of the scaling properties of the integral itself. Our result is presented as a Laurent expansion in the dimensional regulator, although some of the master integrals are computed to all orders in this parameter.« less

Hyoid expansion with titanium plate and screw: a human cadaveric study using computer-assisted airway measurement.

PubMed

Toh, Song-Tar; Hsu, Pon-Poh; Tan, Kah Leong Alvin; Lu, Kuo-Sun Peter; Han, Hong-Juan

2013-08-01

Hyoid expansion with suspension can potentially increase the upper airway at the hypopharyngeal level, benefitting patients with sleep-related breathing disorder. To document the effect of hyoid expansion using titanium plate and screw on retrolingual hypopharyngeal airway dimension and to compare the airway dimension after isolated hyoid expansion with hyoid expansion + hyomandibular suspension. Anatomical cadaveric dissection study. This study was performed in a laboratory setting using human cadavers. This is an anatomical feasibility study of hyoid expansion using titanium plate and screw on 10 cadaveric human heads and necks. The hyoid bone is trifractured with bony cuts made just medial to the lesser cornu. The freed hyoid body and lateral segments are expanded and stabilized to a titanium adaptation plate. Computer-assisted airway measurement (CAM) was used to measure the airway dimension at the hypopharynx at the level of the tongue base before and after the hyoid expansion. The expanded hyoid bone was then suspended to the mandible, and the airway dimension was measured again with CAM. Airway dimension after isolated hyoid expansion with hyoid expansion with hyomandibular suspension. RESULTS Hyoid expansion with titanium plate and screw resulted in statistical significant increase in the retrolingual hypopharyngeal airway space in all of the 10 human cadavers. The mean (SD) increase in retroglossal area was 33.4 (13.2) mm² (P < .005) (range, 6.0-58.7 mm²). Hyoid expansion with hyomandibular suspension resulted in a greater degree of airway enlargement. The mean (SD) increase in retroglossal area was 99.4 (15.0) mm² (P < .005) (range, 81.9-127.5 mm²). The retrolingual hypopharyngeal airway space increased with hyoid expansion using titanium plate and screw in our human cadaveric study, measured using CAM. The degree of increase is further augmented with hyomandibular suspension.

The Evolution of Software and Its Impact on Complex System Design in Robotic Spacecraft Embedded Systems

NASA Technical Reports Server (NTRS)

Butler, Roy

2013-01-01

The growth in computer hardware performance, coupled with reduced energy requirements, has led to a rapid expansion of the resources available to software systems, driving them towards greater logical abstraction, flexibility, and complexity. This shift in focus from compacting functionality into a limited field towards developing layered, multi-state architectures in a grand field has both driven and been driven by the history of embedded processor design in the robotic spacecraft industry.The combinatorial growth of interprocess conditions is accompanied by benefits (concurrent development, situational autonomy, and evolution of goals) and drawbacks (late integration, non-deterministic interactions, and multifaceted anomalies) in achieving mission success, as illustrated by the case of the Mars Reconnaissance Orbiter. Approaches to optimizing the benefits while mitigating the drawbacks have taken the form of the formalization of requirements, modular design practices, extensive system simulation, and spacecraft data trend analysis. The growth of hardware capability and software complexity can be expected to continue, with future directions including stackable commodity subsystems, computer-generated algorithms, runtime reconfigurable processors, and greater autonomy.

Identifying and reducing error in cluster-expansion approximations of protein energies.

PubMed

Hahn, Seungsoo; Ashenberg, Orr; Grigoryan, Gevorg; Keating, Amy E

2010-12-01

Protein design involves searching a vast space for sequences that are compatible with a defined structure. This can pose significant computational challenges. Cluster expansion is a technique that can accelerate the evaluation of protein energies by generating a simple functional relationship between sequence and energy. The method consists of several steps. First, for a given protein structure, a training set of sequences with known energies is generated. Next, this training set is used to expand energy as a function of clusters consisting of single residues, residue pairs, and higher order terms, if required. The accuracy of the sequence-based expansion is monitored and improved using cross-validation testing and iterative inclusion of additional clusters. As a trade-off for evaluation speed, the cluster-expansion approximation causes prediction errors, which can be reduced by including more training sequences, including higher order terms in the expansion, and/or reducing the sequence space described by the cluster expansion. This article analyzes the sources of error and introduces a method whereby accuracy can be improved by judiciously reducing the described sequence space. The method is applied to describe the sequence-stability relationship for several protein structures: coiled-coil dimers and trimers, a PDZ domain, and T4 lysozyme as examples with computationally derived energies, and SH3 domains in amphiphysin-1 and endophilin-1 as examples where the expanded pseudo-energies are obtained from experiments. Our open-source software package Cluster Expansion Version 1.0 allows users to expand their own energy function of interest and thereby apply cluster expansion to custom problems in protein design. © 2010 Wiley Periodicals, Inc.

Significance of satellite sign and spot sign in predicting hematoma expansion in spontaneous intracerebral hemorrhage.

PubMed

Yu, Zhiyuan; Zheng, Jun; Ali, Hasan; Guo, Rui; Li, Mou; Wang, Xiaoze; Ma, Lu; Li, Hao; You, Chao

2017-11-01

Hematoma expansion is related to poor outcome in spontaneous intracerebral hemorrhage (ICH). Recently, a non-enhanced computed tomography (CT) based finding, termed the 'satellite sign', was reported to be a novel predictor for poor outcome in spontaneous ICH. However, it is still unclear whether the presence of the satellite sign is related to hematoma expansion. Initial computed tomography angiography (CTA) was conducted within 6h after ictus. Satellite sign on non-enhanced CT and spot sign on CTA were detected by two independent reviewers. The sensitivity and specificity of both satellite sign and spot sign were calculated. Receiver-operator analysis was conducted to evaluate their predictive accuracy for hematoma expansion. This study included 153 patients. Satellite sign was detected in 58 (37.91%) patients and spot sign was detected in 38 (24.84%) patients. Among 37 patients with hematoma expansion, 22 (59.46%) had satellite sign and 23 (62.16%) had spot sign. The sensitivity and specificity of satellite sign for prediction of hematoma expansion were 59.46% and 68.97%, respectively. The sensitivity and specificity of spot sign were 62.16% and 87.07%, respectively. The area under the curve (AUC) of satellite sign was 0.642 and the AUC of spot sign was 0.746. (P=0.157) CONCLUSION: Our results suggest that the satellite sign is an independent predictor for hematoma expansion in spontaneous ICH. Although spot sign has the higher predictive accuracy, satellite sign is still an acceptable predictor for hematoma expansion when CTA is unavailable. Copyright © 2017 Elsevier B.V. All rights reserved.

Evaluation of the rapid and slow maxillary expansion using cone-beam computed tomography: a randomized clinical trial

PubMed Central

Pereira, Juliana da S.; Jacob, Helder B.; Locks, Arno; Brunetto, Mauricio; Ribeiro, Gerson L. U.

2017-01-01

ABSTRACT OBJECTIVE: The aim of this randomized clinical trial was to evaluate the dental, dentoalveolar, and skeletal changes occurring right after the rapid maxillary expansion (RME) and slow maxillary expansion (SME) treatment using Haas-type expander. METHODS: All subjects performed cone-beam computed tomography (CBCT) before installation of expanders (T1) and right after screw stabilization (T2). Patients who did not follow the research parameters were excluded. The final sample resulted in 21 patients in RME group (mean age of 8.43 years) and 16 patients in SME group (mean age of 8.70 years). Based on the skewness and kurtosis statistics, the variables were judged to be normally distributed and paired t-test and student t-test were performed at significance level of 5%. RESULTS: Intermolar angle changed significantly due to treatment and RME showed greater buccal tipping than SME. RME showed significant changes in other four measurements due to treatment: maxilla moved forward and mandible showed backward rotation and, at transversal level both skeletal and dentoalveolar showed significant changes due to maxillary expansion. SME showed significant dentoalveolar changes due to maxillary expansion. CONCLUSIONS: Only intermolar angle showed significant difference between the two modalities of maxillary expansion with greater buccal tipping for RME. Also, RME produced skeletal maxillary expansion and SME did not. Both maxillary expansion modalities were efficient to promote transversal gain at dentoalveolar level. Sagittal and vertical measurements did not show differences between groups, but RME promoted a forward movement of the maxilla and backward rotation of the mandible. PMID:28658357

Multiscale analysis of structure development in expanded starch snacks

NASA Astrophysics Data System (ADS)

van der Sman, R. G. M.; Broeze, J.

2014-11-01

In this paper we perform a multiscale analysis of the food structuring process of the expansion of starchy snack foods like keropok, which obtains a solid foam structure. In particular, we want to investigate the validity of the hypothesis of Kokini and coworkers, that expansion is optimal at the moisture content, where the glass transition and the boiling line intersect. In our analysis we make use of several tools, (1) time scale analysis from the field of physical transport phenomena, (2) the scale separation map (SSM) developed within a multiscale simulation framework of complex automata, (3) the supplemented state diagram (SSD), depicting phase transition and glass transition lines, and (4) a multiscale simulation model for the bubble expansion. Results of the time scale analysis are plotted in the SSD, and give insight into the dominant physical processes involved in expansion. Furthermore, the results of the time scale analysis are used to construct the SSM, which has aided us in the construction of the multiscale simulation model. Simulation results are plotted in the SSD. This clearly shows that the hypothesis of Kokini is qualitatively true, but has to be refined. Our results show that bubble expansion is optimal for moisture content, where the boiling line for gas pressure of 4 bars intersects the isoviscosity line of the critical viscosity 106 Pa.s, which runs parallel to the glass transition line.

Computational Modeling of Ablation on an Irradiated Target

NASA Astrophysics Data System (ADS)

Mehmedagic, Igbal; Thangam, Siva

2017-11-01

Computational modeling of pulsed nanosecond laser interaction with an irradiated metallic target is presented. The model formulation involves ablation of the metallic target irradiated by pulsed high intensity laser at normal atmospheric conditions. Computational findings based on effective representation and prediction of the heat transfer, melting and vaporization of the targeting material as well as plume formation and expansion are presented along with its relevance for the development of protective shields. In this context, the available results for a representative irradiation from 1064 nm laser pulse is used to analyze various ablation mechanisms, variable thermo-physical and optical properties, plume expansion and surface geometry. Funded in part by U. S. Army ARDEC, Picatinny Arsenal, NJ.

Thermal Coefficient of Linear Expansion Modified by Dendritic Segregation in Nickel-Iron Alloys

NASA Astrophysics Data System (ADS)

Ogorodnikova, O. M.; Maksimova, E. V.

2018-05-01

The paper presents investigations of thermal properties of Fe-Ni and Fe-Ni-Co casting alloys affected by the heterogeneous distribution of their chemical elements. It is shown that nickel dendritic segregation has a negative effect on properties of studied invars. A mathematical model is proposed to explore the influence of nickel dendritic segregation on the thermal coefficient of linear expansion (TCLE) of the alloy. A computer simulation of TCLE of Fe-Ni-Co superinvars is performed with regard to a heterogeneous distribution of their chemical elements over the whole volume. The ProLigSol computer software application is developed for processing the data array and results of computer simulation.

Numerical benchmarking of a Coarse-Mesh Transport (COMET) Method for medical physics applications

NASA Astrophysics Data System (ADS)

Blackburn, Megan Satterfield

2009-12-01

Radiation therapy has become a very import method for treating cancer patients. Thus, it is extremely important to accurately determine the location of energy deposition during these treatments, maximizing dose to the tumor region and minimizing it to healthy tissue. A Coarse-Mesh Transport Method (COMET) has been developed at the Georgia Institute of Technology in the Computational Reactor and Medical Physics Group for use very successfully with neutron transport to analyze whole-core criticality. COMET works by decomposing a large, heterogeneous system into a set of smaller fixed source problems. For each unique local problem that exists, a solution is obtained that we call a response function. These response functions are pre-computed and stored in a library for future use. The overall solution to the global problem can then be found by a linear superposition of these local problems. This method has now been extended to the transport of photons and electrons for use in medical physics problems to determine energy deposition from radiation therapy treatments. The main goal of this work was to develop benchmarks for testing in order to evaluate the COMET code to determine its strengths and weaknesses for these medical physics applications. For response function calculations, legendre polynomial expansions are necessary for space, angle, polar angle, and azimuthal angle. An initial sensitivity study was done to determine the best orders for future testing. After the expansion orders were found, three simple benchmarks were tested: a water phantom, a simplified lung phantom, and a non-clinical slab phantom. Each of these benchmarks was decomposed into 1cm x 1cm and 0.5cm x 0.5cm coarse meshes. Three more clinically relevant problems were developed from patient CT scans. These benchmarks modeled a lung patient, a prostate patient, and a beam re-entry situation. As before, the problems were divided into 1cm x 1cm, 0.5cm x 0.5cm, and 0.25cm x 0.25cm coarse mesh cases. Multiple beam energies were also tested for each case. The COMET solutions for each case were compared to a reference solution obtained by pure Monte Carlo results from EGSnrc. When comparing the COMET results to the reference cases, a pattern of differences appeared in each phantom case. It was found that better results were obtained for lower energy incident photon beams as well as for larger mesh sizes. Possible changes may need to be made with the expansion orders used for energy and angle to better model high energy secondary electrons. Heterogeneity also did not pose a problem for the COMET methodology. Heterogeneous results were found in a comparable amount of time to the homogeneous water phantom. The COMET results were typically found in minutes to hours of computational time, whereas the reference cases typically required hundreds or thousands of hours. A second sensitivity study was also performed on a more stringent problem and with smaller coarse meshes. Previously, the same expansion order was used for each incident photon beam energy so better comparisons could be made. From this second study, it was found that it is optimal to have different expansion orders based on the incident beam energy. Recommendations for future work with this method include more testing on higher expansion orders or possible code modification to better handle secondary electrons. The method also needs to handle more clinically relevant beam descriptions with an energy and angular distribution associated with it.

Final Shape of Precision Molded Optics: Part 1 - Computational Approach, Material Definitions and the Effect of Lens Shape

DTIC Science & Technology

2012-05-15

subroutine by adding time-dependence to the thermal expansion coefficient. The user subroutine was written in Intel Visual Fortran that is compatible...temperature history dependent expansion and contraction, and the molds were modeled as elastic taking into account both mechanical and thermal strain. In...behavior was approximated by assuming the thermal coefficient of expansion to be a fourth order polynomial function of temperature. The authors

Dynamics of plasma expansion and shockwave formation in femtosecond laser-ablated aluminum plumes in argon gas at atmospheric pressures

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

Miloshevsky, Alexander; Harilal, Sivanandan S.; Miloshevsky, Gennady, E-mail: gennady@purdue.edu

2014-04-15

Plasma expansion with shockwave formation during laser ablation of materials in a background gasses is a complex process. The spatial and temporal evolution of pressure, temperature, density, and velocity fields is needed for its complete understanding. We have studied the expansion of femtosecond (fs) laser-ablated aluminum (Al) plumes in Argon (Ar) gas at 0.5 and 1 atmosphere (atm). The expansion of the plume is investigated experimentally using shadowgraphy and fast-gated imaging. The computational fluid dynamics (CFD) modeling is also carried out. The position of the shock front measured by shadowgraphy and fast-gated imaging is then compared to that obtained frommore » the CFD modeling. The results from the three methods are found to be in good agreement, especially during the initial stage of plasma expansion. The computed time- and space-resolved fields of gas-dynamic parameters have provided valuable insights into the dynamics of plasma expansion and shockwave formation in fs-pulse ablated Al plumes in Ar gas at 0.5 and 1 atm. These results are compared to our previous data on nanosecond (ns) laser ablation of Al [S. S. Harilal et al., Phys. Plasmas 19, 083504 (2012)]. It is observed that both fs and ns plumes acquire a nearly spherical shape at the end of expansion in Ar gas at 1 atm. However, due to significantly lower pulse energy of the fs laser (5 mJ) compared to pulse energy of the ns laser (100 mJ) used in our studies, the values of pressure, temperature, mass density, and velocity are found to be smaller in the fs laser plume, and their time evolution occurs much faster on the same time scale. The oscillatory shock waves clearly visible in the ns plume are not observed in the internal region of the fs plume. These experimental and computational results provide a quantitative understanding of plasma expansion and shockwave formation in fs-pulse and ns-pulse laser ablated Al plumes in an ambient gas at atmospheric pressures.« less

Quantifying the importance of pMHC valency, total pMHC dose and frequency on nanoparticle therapeutic efficacy.

PubMed

Sugarman, Jordan; Tsai, Sue; Santamaria, Pere; Khadra, Anmar

2013-05-01

Nanoparticles (NPs) coated with β-cell-specific peptide major histocompatibility complex (pMHC) class I molecules can effectively restore normoglycemia in spontaneously diabetic nonobese diabetic mice. They do so by expanding pools of cognate memory autoreactive regulatory CD8+ T cells that arise from naive low-avidity T-cell precursors to therapeutic levels. Here we develop our previously constructed mathematical model to explore the effects of compound design parameters (NP dose and pMHC valency) on therapeutic efficacy with the underlying hypothesis that the functional correlates of the therapeutic response (expansion of autoregulatory T cells and deletion of autoantigen-loaded antigen-presenting cells by these T cells) are biphasic. We show, using bifurcation analysis, that the model exhibits a 'resonance'-like behavior for a given range of NP dose in which bistability between the healthy state (possessing zero level of effector T-cell population) and autoimmune state (possessing elevated level of the same population) disappears. A heterogeneous population of model mice subjected to several treatment protocols under these new conditions is conducted to quantify both the average percentage of autoregulatory T cells in responsive and nonresponsive model mice, and the average valency-dependent minimal optimal dose needed for effective therapy. Our results reveal that a moderate increase (≥1.6-fold) in the NP-dependent expansion rate of autoregulatory T-cell population leads to a significant increase in the efficacy and the area corresponding to the effective treatment regimen, provided that NP dose ≥8 μg. We expect the model developed here to generalize to other autoimmune diseases and serve as a computational tool to understand and optimize pMHC-NP-based therapies.

Development and psychometric testing of the Nurse Practitioner Primary Care Organizational Climate Questionnaire.

PubMed

Poghosyan, Lusine; Nannini, Angela; Finkelstein, Stacey R; Mason, Emanuel; Shaffer, Jonathan A

2013-01-01

Policy makers and healthcare organizations are calling for expansion of the nurse practitioner (NP) workforce in primary care settings to assure timely access and high-quality care for the American public. However, many barriers, including those at the organizational level, exist that may undermine NP workforce expansion and their optimal utilization in primary care. This study developed a new NP-specific survey instrument, Nurse Practitioner Primary Care Organizational Climate Questionnaire (NP-PCOCQ), to measure organizational climate in primary care settings and conducted its psychometric testing. Using instrument development design, the organizational climate domain pertinent for primary care NPs was identified. Items were generated from the evidence and qualitative data. Face and content validity were established through two expert meetings. Content validity index was computed. The 86-item pool was reduced to 55 items, which was pilot tested with 81 NPs using mailed surveys and then field-tested with 278 NPs in New York State. SPSS 18 and Mplus software were used for item analysis, reliability testing, and maximum likelihood exploratory factor analysis. Nurse Practitioner Primary Care Organizational Climate Questionnaire had face and content validity. The content validity index was .90. Twenty-nine items loaded on four subscale factors: professional visibility, NP-administration relations, NP-physician relations, and independent practice and support. The subscales had high internal consistency reliability. Cronbach's alphas ranged from.87 to .95. Having a strong instrument is important to promote future research. Also, administrators can use it to assess organizational climate in their clinics and propose interventions to improve it, thus promoting NP practice and the expansion of NP workforce.

Padé spectrum decompositions of quantum distribution functions and optimal hierarchical equations of motion construction for quantum open systems

NASA Astrophysics Data System (ADS)

Hu, Jie; Luo, Meng; Jiang, Feng; Xu, Rui-Xue; Yan, YiJing

2011-06-01

Padé spectrum decomposition is an optimal sum-over-poles expansion scheme of Fermi function and Bose function [J. Hu, R. X. Xu, and Y. J. Yan, J. Chem. Phys. 133, 101106 (2010)], 10.1063/1.3484491. In this work, we report two additional members to this family, from which the best among all sum-over-poles methods could be chosen for different cases of application. Methods are developed for determining these three Padé spectrum decomposition expansions at machine precision via simple algorithms. We exemplify the applications of present development with optimal construction of hierarchical equations-of-motion formulations for nonperturbative quantum dissipation and quantum transport dynamics. Numerical demonstrations are given for two systems. One is the transient transport current to an interacting quantum-dots system, together with the involved high-order co-tunneling dynamics. Another is the non-Markovian dynamics of a spin-boson system.

Detonation Energies of Explosives by Optimized JCZ3 Procedures

NASA Astrophysics Data System (ADS)

Stiel, Leonard; Baker, Ernest

1997-07-01

Procedures for the detonation properties of explosives have been extended for the calculation of detonation energies at adiabatic expansion conditions. Advanced variable metric optimization routines developed by ARDEC are utilized to establish chemical reaction equilibrium by the minimization of the Helmholtz free energy of the system. The use of the JCZ3 equation of state with optimized Exp-6 potential parameters leads to lower errors in JWL detonation energies than the TIGER JCZ3 procedure and other methods tested for relative volumes to 7.0. For the principal isentrope with C-J parameters and freeze conditions established at elevated pressures with the JCZ3 equation of state, best results are obtained if an alternate volumetric relationship is utilized at the highest expansions. Efficient subroutines (designated JAGUAR) have been developed which incorporate the ability to automatically generate JWL and JWLB equation of state parameters. abstract.

System Architecture of Explorer Class Spaceborne Telescopes: A look at Optimization of Cost, Testability, Risk and Operational Duty Cycle from the Perspective of Primary Mirror Material Selection

NASA Astrophysics Data System (ADS)

Hull, Anthony B.; Westerhoff, Thomas

2015-01-01

Management of cost and risk have become the key enabling elements for compelling science to be done within Explorer or M-Class Missions. We trace how optimal primary mirror selection may be co-optimized with orbit selection. And then trace the cost and risk implications of selecting a low diffusivity low thermal expansion material for low and medium earth orbits, vs. high diffusivity high thermal expansion materials for the same orbits. We will discuss that ZERODUR®, a material that has been in space for over 30 years, is now available as highly lightweighted open-back mirrors, and the attributes of these mirrors in spaceborne optical telescope assemblies. Lightweight ZERODUR® solutions are practical from mirrors < 0.3m in diameter to >4m in diameter. An example of a 1.2m lightweight ZERODUR® mirror will be discussed.

Detonation energies of explosives by optimized JCZ3 procedures

NASA Astrophysics Data System (ADS)

Stiel, Leonard I.; Baker, Ernest L.

1998-07-01

Procedures for the detonation properties of explosives have been extended for the calculation of detonation energies at adiabatic expansion conditions. The use of the JCZ3 equation of state with optimized Exp-6 potential parameters leads to lower errors in comparison to JWL detonation energies than for other methods tested.

An integrated compact airborne multispectral imaging system using embedded computer

NASA Astrophysics Data System (ADS)

Zhang, Yuedong; Wang, Li; Zhang, Xuguo

2015-08-01

An integrated compact airborne multispectral imaging system using embedded computer based control system was developed for small aircraft multispectral imaging application. The multispectral imaging system integrates CMOS camera, filter wheel with eight filters, two-axis stabilized platform, miniature POS (position and orientation system) and embedded computer. The embedded computer has excellent universality and expansibility, and has advantages in volume and weight for airborne platform, so it can meet the requirements of control system of the integrated airborne multispectral imaging system. The embedded computer controls the camera parameters setting, filter wheel and stabilized platform working, image and POS data acquisition, and stores the image and data. The airborne multispectral imaging system can connect peripheral device use the ports of the embedded computer, so the system operation and the stored image data management are easy. This airborne multispectral imaging system has advantages of small volume, multi-function, and good expansibility. The imaging experiment results show that this system has potential for multispectral remote sensing in applications such as resource investigation and environmental monitoring.

A parallel computer implementation of fast low-rank QR approximation of the Biot-Savart law

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

White, D A; Fasenfest, B J; Stowell, M L

2005-11-07

In this paper we present a low-rank QR method for evaluating the discrete Biot-Savart law on parallel computers. It is assumed that the known current density and the unknown magnetic field are both expressed in a finite element expansion, and we wish to compute the degrees-of-freedom (DOF) in the basis function expansion of the magnetic field. The matrix that maps the current DOF to the field DOF is full, but if the spatial domain is properly partitioned the matrix can be written as a block matrix, with blocks representing distant interactions being low rank and having a compressed QR representation.more » The matrix partitioning is determined by the number of processors, the rank of each block (i.e. the compression) is determined by the specific geometry and is computed dynamically. In this paper we provide the algorithmic details and present computational results for large-scale computations.« less

Effects of static tensile load on the thermal expansion of Gr/PI composite material

NASA Technical Reports Server (NTRS)

Farley, G. L.

1981-01-01

The effect of static tensile load on the thermal expansion of Gr/PI composite material was measured for seven different laminate configurations. A computer program was developed which implements laminate theory in a piecewise linear fashion to predict the coupled nonlinear thermomechanical behavior. Static tensile load significantly affected the thermal expansion characteristics of the laminates tested. This effect is attributed to a fiber instability micromechanical behavior of the constituent materials. Analytical results correlated reasonably well with free thermal expansion tests (no load applied to the specimen). However, correlation was poor for tests with an applied load.

Real-time control of optimal low-thrust transfer to the Sun-Earth L 1 halo orbit in the bicircular four-body problem

NASA Astrophysics Data System (ADS)

Salmani, Majid; Büskens, Christof

2011-11-01

In this article, after describing a procedure to construct trajectories for a spacecraft in the four-body model, a method to correct the trajectory violations is presented. To construct the trajectories, periodic orbits as the solutions of the three-body problem are used. On the other hand, the bicircular model based on the Sun-Earth rotating frame governs the dynamics of the spacecraft and other bodies. A periodic orbit around the first libration-point L1 is the destination of the mission which is one of the equilibrium points in the Sun-Earth/Moon three-body problem. In the way to reach such a far destination, there are a lot of disturbances such as solar radiation and winds that make the plans untrustworthy. However, the solar radiation pressure is considered in the system dynamics. To prevail over these difficulties, considering the whole transfer problem as an optimal control problem makes the designer to be able to correct the unavoidable violations from the pre-designed trajectory and strategies. The optimal control problem is solved by a direct method, transcribing it into a nonlinear programming problem. This transcription gives an unperturbed optimal trajectory and its sensitivities with respect perturbations. Modeling these perturbations as parameters embedded in a parametric optimal control problem, one can take advantage of the parametric sensitivity analysis of nonlinear programming problem to recalculate the optimal trajectory with a very smaller amount of computation costs. This is obtained by evaluating a first-order Taylor expansion of the perturbed solution in an iterative process which is aimed to achieve an admissible solution. At the end, the numerical results show the applicability of the presented method.

An Efficient Method Coupling Kernel Principal Component Analysis with Adjoint-Based Optimal Control and Its Goal-Oriented Extensions

NASA Astrophysics Data System (ADS)

Thimmisetty, C.; Talbot, C.; Tong, C. H.; Chen, X.

2016-12-01

The representativeness of available data poses a significant fundamental challenge to the quantification of uncertainty in geophysical systems. Furthermore, the successful application of machine learning methods to geophysical problems involving data assimilation is inherently constrained by the extent to which obtainable data represent the problem considered. We show how the adjoint method, coupled with optimization based on methods of machine learning, can facilitate the minimization of an objective function defined on a space of significantly reduced dimension. By considering uncertain parameters as constituting a stochastic process, the Karhunen-Loeve expansion and its nonlinear extensions furnish an optimal basis with respect to which optimization using L-BFGS can be carried out. In particular, we demonstrate that kernel PCA can be coupled with adjoint-based optimal control methods to successfully determine the distribution of material parameter values for problems in the context of channelized deformable media governed by the equations of linear elasticity. Since certain subsets of the original data are characterized by different features, the convergence rate of the method in part depends on, and may be limited by, the observations used to furnish the kernel principal component basis. By determining appropriate weights for realizations of the stochastic random field, then, one may accelerate the convergence of the method. To this end, we present a formulation of Weighted PCA combined with a gradient-based means using automatic differentiation to iteratively re-weight observations concurrent with the determination of an optimal reduced set control variables in the feature space. We demonstrate how improvements in the accuracy and computational efficiency of the weighted linear method can be achieved over existing unweighted kernel methods, and discuss nonlinear extensions of the algorithm.

Impact of uncertain head tissue conductivity in the optimization of transcranial direct current stimulation for an auditory target

NASA Astrophysics Data System (ADS)

Schmidt, Christian; Wagner, Sven; Burger, Martin; van Rienen, Ursula; Wolters, Carsten H.

2015-08-01

Objective. Transcranial direct current stimulation (tDCS) is a non-invasive brain stimulation technique to modify neural excitability. Using multi-array tDCS, we investigate the influence of inter-individually varying head tissue conductivity profiles on optimal electrode configurations for an auditory cortex stimulation. Approach. In order to quantify the uncertainty of the optimal electrode configurations, multi-variate generalized polynomial chaos expansions of the model solutions are used based on uncertain conductivity profiles of the compartments skin, skull, gray matter, and white matter. Stochastic measures, probability density functions, and sensitivity of the quantities of interest are investigated for each electrode and the current density at the target with the resulting stimulation protocols visualized on the head surface. Main results. We demonstrate that the optimized stimulation protocols are only comprised of a few active electrodes, with tolerable deviations in the stimulation amplitude of the anode. However, large deviations in the order of the uncertainty in the conductivity profiles could be noted in the stimulation protocol of the compensating cathodes. Regarding these main stimulation electrodes, the stimulation protocol was most sensitive to uncertainty in skull conductivity. Finally, the probability that the current density amplitude in the auditory cortex target region is supra-threshold was below 50%. Significance. The results suggest that an uncertain conductivity profile in computational models of tDCS can have a substantial influence on the prediction of optimal stimulation protocols for stimulation of the auditory cortex. The investigations carried out in this study present a possibility to predict the probability of providing a therapeutic effect with an optimized electrode system for future auditory clinical and experimental procedures of tDCS applications.

Aerodynamic optimization studies on advanced architecture computers

NASA Technical Reports Server (NTRS)

Chawla, Kalpana

1995-01-01

The approach to carrying out multi-discipline aerospace design studies in the future, especially in massively parallel computing environments, comprises of choosing (1) suitable solvers to compute solutions to equations characterizing a discipline, and (2) efficient optimization methods. In addition, for aerodynamic optimization problems, (3) smart methodologies must be selected to modify the surface shape. In this research effort, a 'direct' optimization method is implemented on the Cray C-90 to improve aerodynamic design. It is coupled with an existing implicit Navier-Stokes solver, OVERFLOW, to compute flow solutions. The optimization method is chosen such that it can accomodate multi-discipline optimization in future computations. In the work , however, only single discipline aerodynamic optimization will be included.

Influence of the distance between target surface and focal point on the expansion dynamics of a laser-induced silicon plasma with spatial confinement

NASA Astrophysics Data System (ADS)

Zhang, Dan; Chen, Anmin; Wang, Xiaowei; Wang, Ying; Sui, Laizhi; Ke, Da; Li, Suyu; Jiang, Yuanfei; Jin, Mingxing

2018-05-01

Expansion dynamics of a laser-induced plasma plume, with spatial confinement, for various distances between the target surface and focal point were studied by the fast photography technique. A silicon wafer was ablated to induce the plasma with a Nd:YAG laser in an atmospheric environment. The expansion dynamics of the plasma plume depended on the distance between the target surface and focal point. In addition, spatially confined time-resolved images showed the different structures of the plasma plumes at different distances between the target surface and focal point. By analyzing the plume images, the optimal distance for emission enhancement was found to be approximately 6 mm away from the geometrical focus using a 10 cm focal length lens. This optimized distance resulted in the strongest compression ratio of the plasma plume by the reflected shock wave. Furthermore, the duration of the interaction between the reflected shock wave and the plasma plume was also prolonged.

Westward Expansion: The Oregon Trail.

ERIC Educational Resources Information Center

Salisbury, James F.

This 8-week interdisciplinary unit for fourth- and fifth-grade students helps children address the U.S. westward expansion in the 1840's using the interactive software program, The Oregon Trail. The unit provides connections to literature, geography, computer/mathematics skills, language arts, and research skills. The work is done in cooperative…

A Pedagogical Approach to the Magnus Expansion

ERIC Educational Resources Information Center

Blanes, S.; Casas, F.; Oteo, J. A.; Ros, J.

2010-01-01

Time-dependent perturbation theory as a tool to compute approximate solutions of the Schrodinger equation does not preserve unitarity. Here we present, in a simple way, how the "Magnus expansion" (also known as "exponential perturbation theory") provides such unitary approximate solutions. The purpose is to illustrate the importance and…

A One-of-a-Kind Technology Expansion.

ERIC Educational Resources Information Center

Wiens, Janet

2002-01-01

Describes the design of the expansion of the National Center for Supercomputing Applications (NCSA) Advanced Computation Building at the University of Illinois, Champaign. Discusses how the design incorporated column-free space for flexibility, cooling capacity, a freight elevator, and a 6-foot raised access floor to neatly house airflow, wiring,…

Solution of a Nonlinear Heat Conduction Equation for a Curvilinear Region with Dirichlet Conditions by the Fast-Expansion Method

NASA Astrophysics Data System (ADS)

Chernyshov, A. D.

2018-05-01

The analytical solution of the nonlinear heat conduction problem for a curvilinear region is obtained with the use of the fast-expansion method together with the method of extension of boundaries and pointwise technique of computing Fourier coefficients.

A novel vortex tube-based N2-expander liquefaction process for enhancing the energy efficiency of natural gas liquefaction

NASA Astrophysics Data System (ADS)

Qyyum, Muhammad Abdul; Wei, Feng; Hussain, Arif; Ali, Wahid; Sehee, Oh; Lee, Moonyong

2017-11-01

This research work unfolds a simple, safe, and environment-friendly energy efficient novel vortex tube-based natural gas liquefaction process (LNG). A vortex tube was introduced to the popular N2-expander liquefaction process to enhance the liquefaction efficiency. The process structure and condition were modified and optimized to take a potential advantage of the vortex tube on the natural gas liquefaction cycle. Two commercial simulators ANSYS® and Aspen HYSYS® were used to investigate the application of vortex tube in the refrigeration cycle of LNG process. The Computational fluid dynamics (CFD) model was used to simulate the vortex tube with nitrogen (N2) as a working fluid. Subsequently, the results of the CFD model were embedded in the Aspen HYSYS® to validate the proposed LNG liquefaction process. The proposed natural gas liquefaction process was optimized using the knowledge-based optimization (KBO) approach. The overall energy consumption was chosen as an objective function for optimization. The performance of the proposed liquefaction process was compared with the conventional N2-expander liquefaction process. The vortex tube-based LNG process showed a significant improvement of energy efficiency by 20% in comparison with the conventional N2-expander liquefaction process. This high energy efficiency was mainly due to the isentropic expansion of the vortex tube. It turned out that the high energy efficiency of vortex tube-based process is totally dependent on the refrigerant cold fraction, operating conditions as well as refrigerant cycle configurations.

The influence of medium elasticity on the prediction of histotripsy-induced bubble expansion and erythrocyte viability

NASA Astrophysics Data System (ADS)

Bader, Kenneth B.

2018-05-01

Histotripsy is a form of therapeutic ultrasound that liquefies tissue mechanically via acoustic cavitation. Bubble expansion is paramount in the efficacy of histotripsy therapy, and the cavitation dynamics are strongly influenced by the medium elasticity. In this study, an analytic model to predict histotripsy-induced bubble expansion in a fluid was extended to include the effects of medium elasticity. Good agreement was observed between the predictions of the analytic model and numerical computations utilizing highly nonlinear excitations (shock-scattering histotripsy) and purely tensile pulses (microtripsy). No bubble expansion was computed for either form of histotripsy when the elastic modulus was greater than 20 MPa and the peak negative pressure was less than 50 MPa. Strain in the medium due to the expansion of a single bubble was also tabulated. The viability of red blood cells was calculated as a function of distance from the bubble wall based on empirical data of impulsive stretching of erythrocytes. Red blood cells remained viable at distances further than 44 µm from the bubble wall. As the medium elasticity increased, the distance over which bubble expansion-induced strain influenced red blood cells was found to decrease sigmoidally. These results highlight the relationship between tissue elasticity and the efficacy of histotripsy. In addition, an upper medium elasticity limit was identified, above which histotripsy may not be effective for tissue liquefaction.

Flute Instability of Expanding Plasma Cloud

NASA Astrophysics Data System (ADS)

Dudnikova, Galina; Vshivkov, Vitali

2000-10-01

The expansion of plasma against a magnetized background where collisions play no role is a situation common to many plasma phenomena. The character of interaction between expanding plasma and background plasma is depending of the ratio of the expansion velocity to the ambient Alfven velocity. If the expansion speed is greater than the background Alfven speed (super-Alfvenic flows) a collisionless shock waves are formed in background plasma. It is originally think that if the expansion speed is less than Alfvenic speed (sub-Alfvenic flows) the interaction of plasma flows will be laminar in nature. However, the results of laboratory experiments and chemical releases in magnetosphere have shown the development of flute instability on the boundary of expanding plasma (Rayleigh-Taylor instability). A lot of theoretical and experimental papers have been devoted to study the Large Larmor Flute Instability (LLFI) of plasma expanding into a vacuum magnetic field. In the present paper on the base of computer simulation of plasma cloud expansion in magnetizied background plasma the regimes of development and stabilization LLFI for super- and sub-Alfvenic plasma flows are investigated. 2D hybrid numerical model is based on kinetic Vlasov equation for ions and hydrodynamic approximation for electrons. The similarity parameters characterizing the regimes of laminar flows are founded. The stabilization of LLFI takes place with the transition from sub- to super-Alfvenic plasma cloud expansion. The results of the comparision between computer simulation and laboratory simulation are described.

Reservoir system expansion scheduling under conflicting interests - A Blue Nile application

NASA Astrophysics Data System (ADS)

Geressu, Robel; Harou, Julien

2017-04-01

New water resource developments are facing increasing resistance due to their real and perceived potential to affect existing systems' performance negatively. Hence, scheduling new dams in multi-reservoir systems requires considering conflicting performance objectives to minimize impacts, create consensus among wider stakeholder groups and avoid conflict. However, because of the large number of alternative expansion schedules, planning approaches often rely on simplifying assumptions such as the appropriate gap between expansion stages or less flexibility in reservoir release rules than what is possible. In this study, we investigate the extent to which these assumptions could limit our ability to find better performing alternatives. We apply a many-objective sequencing approach to the proposed Blue Nile hydropower reservoir system in Ethiopia to find best investment schedules and operating rules that maximize long-term discounted net benefits, downstream releases and energy generation during reservoir filling periods. The system is optimized using 30 realizations of stochastically generated streamflow data, statistically resembling the historical flow. Results take the form of Pareto-optimal trade-offs where each point on the curve or surface represents a combination of new reservoirs, their implementation dates and operating rules. Results show a significant relationship between detail in operating rule design (i.e., changing operating rules as the multi-reservoir expansion progresses) and the system performance. For the Blue Nile, failure to optimize operating rules in sufficient detail could result in underestimation of the net worth of the proposed investments by up to 6 billion USD if a development option with low downstream impact (slow filling of the reservoirs) is to be implemented.

Computational Approaches to Simulation and Optimization of Global Aircraft Trajectories

NASA Technical Reports Server (NTRS)

Ng, Hok Kwan; Sridhar, Banavar

2016-01-01

This study examines three possible approaches to improving the speed in generating wind-optimal routes for air traffic at the national or global level. They are: (a) using the resources of a supercomputer, (b) running the computations on multiple commercially available computers and (c) implementing those same algorithms into NASAs Future ATM Concepts Evaluation Tool (FACET) and compares those to a standard implementation run on a single CPU. Wind-optimal aircraft trajectories are computed using global air traffic schedules. The run time and wait time on the supercomputer for trajectory optimization using various numbers of CPUs ranging from 80 to 10,240 units are compared with the total computational time for running the same computation on a single desktop computer and on multiple commercially available computers for potential computational enhancement through parallel processing on the computer clusters. This study also re-implements the trajectory optimization algorithm for further reduction of computational time through algorithm modifications and integrates that with FACET to facilitate the use of the new features which calculate time-optimal routes between worldwide airport pairs in a wind field for use with existing FACET applications. The implementations of trajectory optimization algorithms use MATLAB, Python, and Java programming languages. The performance evaluations are done by comparing their computational efficiencies and based on the potential application of optimized trajectories. The paper shows that in the absence of special privileges on a supercomputer, a cluster of commercially available computers provides a feasible approach for national and global air traffic system studies.

Design of refrigeration system using refrigerant R134a for macro compartment

NASA Astrophysics Data System (ADS)

Rani, M. F. H.; Razlan, Z. M.; Shahriman, A. B.; Yong, C. K.; Harun, A.; Hashim, M. S. M.; Faizi, M. K.; Ibrahim, I.; Kamarrudin, N. S.; Saad, M. A. M.; Zunaidi, I.; Wan, W. K.; Desa, H.

2017-10-01

The main objective of this study is to analyse and design an optimum cooling system for macro compartment. Current product of the refrigerator is not specified for single function and not compact in size. Hence, a refrigeration system using refrigerant R134a is aimed to provide instant cooling in a macro compartment with sizing about 150 × 150 × 250 mm. The macro compartment is purposely designed to fit a bottle or drink can, which is then cooled to a desired drinking temperature of about 8°C within a period of 1 minute. The study is not only concerned with analysing of heat load of the macro compartment containing drink can, but also focused on determining suitable heat exchanger volume for both evaporator and condenser, calculating compressor displacement value and computing suitable resistance value of the expansion valve. Method of optimization is used to obtain the best solution of the problem. Mollier diagram is necessary in the process of developing the refrigeration system. Selection of blower is made properly to allow air circulation and to increase the flow rate for higher heat transfer rate. Property data are taken precisely from thermodynamic property tables. As the main four components, namely condenser, compressor, evaporator and expansion valve are fully developed, the refrigeration system is complete.

Thermal transport properties of bulk and monolayer MoS2: an ab-initio approach

NASA Astrophysics Data System (ADS)

Bano, Amreen; Khare, Preeti; Gaur, N. K.

2017-05-01

The transport properties of semiconductors are key to the performance of many solid-state devices (transistors, data storage, thermoelectric cooling and power generation devices, etc). In recent years simulation tools based on first-principles calculations have been greatly improved, being able to obtain the fundamental ground-state properties of materials accurately. The quasi harmonic thermal properties of bulk and monolayer of MoS2 has been computed with ab initio periodic simulations based of density functional theory (DFT). The temperature dependence of bulk modulus, specific heat, thermal expansion and gruneisen parameter have been calculated in our work within the temperature range of 0K to 900K with projected augmented wave (PAW) method using generalized gradient approximation (GGA). Our results show that the optimized lattice parameters are in good agreement with the earlier reported works and also for thermoelastic parameter, i.e. isothermal bulk modulus (B) at 0K indicates that monolayer MoS2 (48.5 GPa)is more compressible than the bulk structure (159.23 GPa). The thermal expansion of monolayer structure is slightly less than the bulk. Similarly, other parameters like heat capacity and gruneisen parameter shows different nature which is due to the confinement of 3 dimensional structure to 2 dimension (2D) for improving its transport characteristics.

Computing Optimal Stochastic Portfolio Execution Strategies: A Parametric Approach Using Simulations

NASA Astrophysics Data System (ADS)

Moazeni, Somayeh; Coleman, Thomas F.; Li, Yuying

2010-09-01

Computing optimal stochastic portfolio execution strategies under appropriate risk consideration presents great computational challenge. We investigate a parametric approach for computing optimal stochastic strategies using Monte Carlo simulations. This approach allows reduction in computational complexity by computing coefficients for a parametric representation of a stochastic dynamic strategy based on static optimization. Using this technique, constraints can be similarly handled using appropriate penalty functions. We illustrate the proposed approach to minimize the expected execution cost and Conditional Value-at-Risk (CVaR).

Multi-objective optimization and design for free piston Stirling engines based on the dimensionless power

NASA Astrophysics Data System (ADS)

Mou, Jian; Hong, Guotong

2017-02-01

In this paper, the dimensionless power is used to optimize the free piston Stirling engines (FPSE). The dimensionless power is defined as a ratio of the heat power loss and the output work. The heat power losses include the losses of expansion space, heater, regenerator, cooler and the compression space and every kind of the heat loss calculated by empirical formula. The output work is calculated by the adiabatic model. The results show that 82.66% of the losses come from the expansion space and 54.59% heat losses of expansion space come from the shuttle loss. At different pressure the optimum bore-stroke ratio, heat source temperature, phase angle and the frequency have different values, the optimum phase angles increase with the increase of pressure, but optimum frequencies drop with the increase of pressure. However, no matter what the heat source temperature, initial pressure and frequency are, the optimum ratios of piston stroke and displacer stroke all about 0.8. The three-dimensional diagram is used to analyse Stirling engine. From the three-dimensional diagram the optimum phase angle, frequency and heat source temperature can be acquired at the same time. This study offers some guides for the design and optimization of FPSEs.

Quantum Monte Carlo with very large multideterminant wavefunctions.

PubMed

Scemama, Anthony; Applencourt, Thomas; Giner, Emmanuel; Caffarel, Michel

2016-07-01

An algorithm to compute efficiently the first two derivatives of (very) large multideterminant wavefunctions for quantum Monte Carlo calculations is presented. The calculation of determinants and their derivatives is performed using the Sherman-Morrison formula for updating the inverse Slater matrix. An improved implementation based on the reduction of the number of column substitutions and on a very efficient implementation of the calculation of the scalar products involved is presented. It is emphasized that multideterminant expansions contain in general a large number of identical spin-specific determinants: for typical configuration interaction-type wavefunctions the number of unique spin-specific determinants Ndetσ ( σ=↑,↓) with a non-negligible weight in the expansion is of order O(Ndet). We show that a careful implementation of the calculation of the Ndet -dependent contributions can make this step negligible enough so that in practice the algorithm scales as the total number of unique spin-specific determinants,  Ndet↑+Ndet↓, over a wide range of total number of determinants (here, Ndet up to about one million), thus greatly reducing the total computational cost. Finally, a new truncation scheme for the multideterminant expansion is proposed so that larger expansions can be considered without increasing the computational time. The algorithm is illustrated with all-electron fixed-node diffusion Monte Carlo calculations of the total energy of the chlorine atom. Calculations using a trial wavefunction including about 750,000 determinants with a computational increase of ∼400 compared to a single-determinant calculation are shown to be feasible. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Refugee Resettlement Patterns and State-Level Health Care Insurance Access in the United States.

PubMed

Agrawal, Pooja; Venkatesh, Arjun Krishna

2016-04-01

We sought to evaluate the relationship between state-level implementation of the Patient Protection and Affordable Care Act (ACA) and resettlement patterns among refugees. We linked federal refugee resettlement data to ACA expansion data and found that refugee resettlement rates are not significantly different according to state-level insurance expansion or cost. Forty percent of refugees have resettled to states without Medicaid expansion. The wide state-level variability in implementation of the ACA should be considered by federal agencies seeking to optimize access to health insurance coverage among refugees who have resettled to the United States.

Plate/shell structure topology optimization of orthotropic material for buckling problem based on independent continuous topological variables

NASA Astrophysics Data System (ADS)

Ye, Hong-Ling; Wang, Wei-Wei; Chen, Ning; Sui, Yun-Kang

2017-10-01

The purpose of the present work is to study the buckling problem with plate/shell topology optimization of orthotropic material. A model of buckling topology optimization is established based on the independent, continuous, and mapping method, which considers structural mass as objective and buckling critical loads as constraints. Firstly, composite exponential function (CEF) and power function (PF) as filter functions are introduced to recognize the element mass, the element stiffness matrix, and the element geometric stiffness matrix. The filter functions of the orthotropic material stiffness are deduced. Then these filter functions are put into buckling topology optimization of a differential equation to analyze the design sensitivity. Furthermore, the buckling constraints are approximately expressed as explicit functions with respect to the design variables based on the first-order Taylor expansion. The objective function is standardized based on the second-order Taylor expansion. Therefore, the optimization model is translated into a quadratic program. Finally, the dual sequence quadratic programming (DSQP) algorithm and the global convergence method of moving asymptotes algorithm with two different filter functions (CEF and PF) are applied to solve the optimal model. Three numerical results show that DSQP&CEF has the best performance in the view of structural mass and discretion.

Hybrid digital-analog coding with bandwidth expansion for correlated Gaussian sources under Rayleigh fading

NASA Astrophysics Data System (ADS)

Yahampath, Pradeepa

2017-12-01

Consider communicating a correlated Gaussian source over a Rayleigh fading channel with no knowledge of the channel signal-to-noise ratio (CSNR) at the transmitter. In this case, a digital system cannot be optimal for a range of CSNRs. Analog transmission however is optimal at all CSNRs, if the source and channel are memoryless and bandwidth matched. This paper presents new hybrid digital-analog (HDA) systems for sources with memory and channels with bandwidth expansion, which outperform both digital-only and analog-only systems over a wide range of CSNRs. The digital part is either a predictive quantizer or a transform code, used to achieve a coding gain. Analog part uses linear encoding to transmit the quantization error which improves the performance under CSNR variations. The hybrid encoder is optimized to achieve the minimum AMMSE (average minimum mean square error) over the CSNR distribution. To this end, analytical expressions are derived for the AMMSE of asymptotically optimal systems. It is shown that the outage CSNR of the channel code and the analog-digital power allocation must be jointly optimized to achieve the minimum AMMSE. In the case of HDA predictive quantization, a simple algorithm is presented to solve the optimization problem. Experimental results are presented for both Gauss-Markov sources and speech signals.

Predicting Intracerebral Hemorrhage Growth With the Spot Sign: The Effect of Onset-to-Scan Time.

PubMed

Dowlatshahi, Dar; Brouwers, H Bart; Demchuk, Andrew M; Hill, Michael D; Aviv, Richard I; Ufholz, Lee-Anne; Reaume, Michael; Wintermark, Max; Hemphill, J Claude; Murai, Yasuo; Wang, Yongjun; Zhao, Xingquan; Wang, Yilong; Li, Na; Sorimachi, Takatoshi; Matsumae, Mitsunori; Steiner, Thorsten; Rizos, Timolaos; Greenberg, Steven M; Romero, Javier M; Rosand, Jonathan; Goldstein, Joshua N; Sharma, Mukul

2016-03-01

Hematoma expansion after acute intracerebral hemorrhage is common and is associated with early deterioration and poor clinical outcome. The computed tomographic angiography (CTA) spot sign is a promising predictor of expansion; however, frequency and predictive values are variable across studies, possibly because of differences in onset-to-CTA time. We performed a patient-level meta-analysis to define the relationship between onset-to-CTA time and frequency and predictive ability of the spot sign. We completed a systematic review for studies of CTA spot sign and hematoma expansion. We subsequently pooled patient-level data on the frequency and predictive values for significant hematoma expansion according to 5 predefined categorized onset-to-CTA times. We calculated spot-sign frequency both as raw and frequency-adjusted rates. Among 2051 studies identified, 12 met our inclusion criteria. Baseline hematoma volume, spot-sign status, and time-to-CTA were available for 1176 patients, and 1039 patients had follow-up computed tomographies for hematoma expansion analysis. The overall spot sign frequency was 26%, decreasing from 39% within 2 hours of onset to 13% beyond 8 hours (P<0.001). There was a significant decrease in hematoma expansion in spot-positive patients as onset-to-CTA time increased (P=0.004), with positive predictive values decreasing from 53% to 33%. The frequency of the CTA spot sign is inversely related to intracerebral hemorrhage onset-to-CTA time. Furthermore, the positive predictive value of the spot sign for significant hematoma expansion decreases as time-to-CTA increases. Our results offer more precise risk stratification for patients with acute intracerebral hemorrhage and will help refine clinical prediction rules for intracerebral hemorrhage expansion. © 2016 American Heart Association, Inc.

Netbook Computers as an Appropriate Solution for 1:1 Computer Use in Primary Schools

ERIC Educational Resources Information Center

Larkin, Kevin; Finger, Glenn

2011-01-01

As schools increasingly move towards 1:1 computing, research is required to inform the design and provision of this access. Utilising the Activity Theory (AT) notion of contradictions and expansion as a theoretical underpinning, this article suggests netbooks as a viable option to provide 1:1 computing for primary school students. Decisions…

A partitioned correlation function interaction approach for describing electron correlation in atoms

NASA Astrophysics Data System (ADS)

Verdebout, S.; Rynkun, P.; Jönsson, P.; Gaigalas, G.; Froese Fischer, C.; Godefroid, M.

2013-04-01

The traditional multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis. For atoms with many closed core shells, or complicated shell structures, a large orbital basis is needed to saturate the different electron correlation effects such as valence, core-valence and correlation within the core shells. The large orbital basis leads to massive configuration state function (CSF) expansions that are difficult to handle, even on large computer systems. We show that it is possible to relax the orthonormality restriction on the orbital basis and break down the originally very large calculations into a series of smaller calculations that can be run in parallel. Each calculation determines a partitioned correlation function (PCF) that accounts for a specific correlation effect. The PCFs are built on optimally localized orbital sets and are added to a zero-order multireference (MR) function to form a total wave function. The expansion coefficients of the PCFs are determined from a low dimensional generalized eigenvalue problem. The interaction and overlap matrices are computed using a biorthonormal transformation technique (Verdebout et al 2010 J. Phys. B: At. Mol. Phys. 43 074017). The new method, called partitioned correlation function interaction (PCFI), converges rapidly with respect to the orbital basis and gives total energies that are lower than the ones from ordinary MCHF and CI calculations. The PCFI method is also very flexible when it comes to targeting different electron correlation effects. Focusing our attention on neutral lithium, we show that by dedicating a PCF to the single excitations from the core, spin- and orbital-polarization effects can be captured very efficiently, leading to highly improved convergence patterns for hyperfine parameters compared with MCHF calculations based on a single orthogonal radial orbital basis. By collecting separately optimized PCFs to correct the MR function, the variational degrees of freedom in the relative mixing coefficients of the CSFs building the PCFs are inhibited. The constraints on the mixing coefficients lead to small off-sets in computed properties such as hyperfine structure, isotope shift and transition rates, with respect to the correct values. By (partially) deconstraining the mixing coefficients one converges to the correct limits and keeps the tremendous advantage of improved convergence rates that comes from the use of several orbital sets. Reducing ultimately each PCF to a single CSF with its own orbital basis leads to a non-orthogonal CI approach. Various perspectives of the new method are given.

On Complicated Expansions of Solutions to ODES

NASA Astrophysics Data System (ADS)

Bruno, A. D.

2018-03-01

Polynomial ordinary differential equations are studied by asymptotic methods. The truncated equation associated with a vertex or a nonhorizontal edge of their polygon of the initial equation is assumed to have a solution containing the logarithm of the independent variable. It is shown that, under very weak constraints, this nonpower asymptotic form of solutions to the original equation can be extended to an asymptotic expansion of these solutions. This is an expansion in powers of the independent variable with coefficients being Laurent series in decreasing powers of the logarithm. Such expansions are sometimes called psi-series. Algorithms for such computations are described. Six examples are given. Four of them are concern with Painlevé equations. An unexpected property of these expansions is revealed.

Computer-Mediated Collaborative Projects: Processes for Enhancing Group Development

ERIC Educational Resources Information Center

Dupin-Bryant, Pamela A.

2008-01-01

Groups are a fundamental part of the business world. Yet, as companies continue to expand internationally, a major challenge lies in promoting effective communication among employees who work in varying time zones. Global expansion often requires group collaboration through computer systems. Computer-mediated groups lead to different communicative…

Structural Reliability Analysis and Optimization: Use of Approximations

NASA Technical Reports Server (NTRS)

Grandhi, Ramana V.; Wang, Liping

1999-01-01

This report is intended for the demonstration of function approximation concepts and their applicability in reliability analysis and design. Particularly, approximations in the calculation of the safety index, failure probability and structural optimization (modification of design variables) are developed. With this scope in mind, extensive details on probability theory are avoided. Definitions relevant to the stated objectives have been taken from standard text books. The idea of function approximations is to minimize the repetitive use of computationally intensive calculations by replacing them with simpler closed-form equations, which could be nonlinear. Typically, the approximations provide good accuracy around the points where they are constructed, and they need to be periodically updated to extend their utility. There are approximations in calculating the failure probability of a limit state function. The first one, which is most commonly discussed, is how the limit state is approximated at the design point. Most of the time this could be a first-order Taylor series expansion, also known as the First Order Reliability Method (FORM), or a second-order Taylor series expansion (paraboloid), also known as the Second Order Reliability Method (SORM). From the computational procedure point of view, this step comes after the design point identification; however, the order of approximation for the probability of failure calculation is discussed first, and it is denoted by either FORM or SORM. The other approximation of interest is how the design point, or the most probable failure point (MPP), is identified. For iteratively finding this point, again the limit state is approximated. The accuracy and efficiency of the approximations make the search process quite practical for analysis intensive approaches such as the finite element methods; therefore, the crux of this research is to develop excellent approximations for MPP identification and also different approximations including the higher-order reliability methods (HORM) for representing the failure surface. This report is divided into several parts to emphasize different segments of the structural reliability analysis and design. Broadly, it consists of mathematical foundations, methods and applications. Chapter I discusses the fundamental definitions of the probability theory, which are mostly available in standard text books. Probability density function descriptions relevant to this work are addressed. In Chapter 2, the concept and utility of function approximation are discussed for a general application in engineering analysis. Various forms of function representations and the latest developments in nonlinear adaptive approximations are presented with comparison studies. Research work accomplished in reliability analysis is presented in Chapter 3. First, the definition of safety index and most probable point of failure are introduced. Efficient ways of computing the safety index with a fewer number of iterations is emphasized. In chapter 4, the probability of failure prediction is presented using first-order, second-order and higher-order methods. System reliability methods are discussed in chapter 5. Chapter 6 presents optimization techniques for the modification and redistribution of structural sizes for improving the structural reliability. The report also contains several appendices on probability parameters.

Computing the Density Matrix in Electronic Structure Theory on Graphics Processing Units.

PubMed

Cawkwell, M J; Sanville, E J; Mniszewski, S M; Niklasson, Anders M N

2012-11-13

The self-consistent solution of a Schrödinger-like equation for the density matrix is a critical and computationally demanding step in quantum-based models of interatomic bonding. This step was tackled historically via the diagonalization of the Hamiltonian. We have investigated the performance and accuracy of the second-order spectral projection (SP2) algorithm for the computation of the density matrix via a recursive expansion of the Fermi operator in a series of generalized matrix-matrix multiplications. We demonstrate that owing to its simplicity, the SP2 algorithm [Niklasson, A. M. N. Phys. Rev. B2002, 66, 155115] is exceptionally well suited to implementation on graphics processing units (GPUs). The performance in double and single precision arithmetic of a hybrid GPU/central processing unit (CPU) and full GPU implementation of the SP2 algorithm exceed those of a CPU-only implementation of the SP2 algorithm and traditional matrix diagonalization when the dimensions of the matrices exceed about 2000 × 2000. Padding schemes for arrays allocated in the GPU memory that optimize the performance of the CUBLAS implementations of the level 3 BLAS DGEMM and SGEMM subroutines for generalized matrix-matrix multiplications are described in detail. The analysis of the relative performance of the hybrid CPU/GPU and full GPU implementations indicate that the transfer of arrays between the GPU and CPU constitutes only a small fraction of the total computation time. The errors measured in the self-consistent density matrices computed using the SP2 algorithm are generally smaller than those measured in matrices computed via diagonalization. Furthermore, the errors in the density matrices computed using the SP2 algorithm do not exhibit any dependence of system size, whereas the errors increase linearly with the number of orbitals when diagonalization is employed.

Vibrational self-consistent field theory using optimized curvilinear coordinates.

PubMed

Bulik, Ireneusz W; Frisch, Michael J; Vaccaro, Patrick H

2017-07-28

A vibrational SCF model is presented in which the functions forming the single-mode functions in the product wavefunction are expressed in terms of internal coordinates and the coordinates used for each mode are optimized variationally. This model involves no approximations to the kinetic energy operator and does not require a Taylor-series expansion of the potential. The non-linear optimization of coordinates is found to give much better product wavefunctions than the limited variations considered in most previous applications of SCF methods to vibrational problems. The approach is tested using published potential energy surfaces for water, ammonia, and formaldehyde. Variational flexibility allowed in the current ansätze results in excellent zero-point energies expressed through single-product states and accurate fundamental transition frequencies realized by short configuration-interaction expansions. Fully variational optimization of single-product states for excited vibrational levels also is discussed. The highlighted methodology constitutes an excellent starting point for more sophisticated treatments, as the bulk characteristics of many-mode coupling are accounted for efficiently in terms of compact wavefunctions (as evident from the accurate prediction of transition frequencies).

A semi-analytical method of computation of oceanic tidal perturbations in the motion of artificial satellites

NASA Technical Reports Server (NTRS)

Musen, P.

1973-01-01

The method of expansion of the satellite's perturbations, as caused by the oceanic tides, into Fourier series is discussed. The coefficients of the expansion are purely numerical and peculiar to each particular satellite. Such a method is termed as semi-analytical in celestial mechanics. Gaussian form of the differential equations for variation of elements, with the right hand sides averaged over the orbit of the satellite, is convenient to use with the semi-analytical expansion.

Optimal expansion of a drinking water infrastructure system with respect to carbon footprint, cost-effectiveness and water demand.

PubMed

Chang, Ni-Bin; Qi, Cheng; Yang, Y Jeffrey

2012-11-15

Urban water infrastructure expansion requires careful long-term planning to reduce the risk from climate change during periods of both economic boom and recession. As part of the adaptation management strategies, capacity expansion in concert with other management alternatives responding to the population dynamics, ecological conservation, and water management policies should be systematically examined to balance the water supply and demand temporally and spatially with different scales. To mitigate the climate change impact, this practical implementation often requires a multiobjective decision analysis that introduces economic efficiencies and carbon-footprint matrices simultaneously. The optimal expansion strategies for a typical water infrastructure system in South Florida demonstrate the essence of the new philosophy. Within our case study, the multiobjective modeling framework uniquely features an integrated evaluation of transboundary surface and groundwater resources and quantitatively assesses the interdependencies among drinking water supply, wastewater reuse, and irrigation water permit transfer as the management options expand throughout varying dimensions. With the aid of a multistage planning methodology over the partitioned time horizon, such a systems analysis has resulted in a full-scale screening and sequencing of multiple competing objectives across a suite of management strategies. These strategies that prioritize 20 options provide a possible expansion schedule over the next 20 years that improve water infrastructure resilience and at low life-cycle costs. The proposed method is transformative to other applications of similar water infrastructure systems elsewhere in the world. Copyright © 2012 Elsevier Ltd. All rights reserved.

Association Between Hypodensities Detected by Computed Tomography and Hematoma Expansion in Patients With Intracerebral Hemorrhage

PubMed Central

Boulouis, Gregoire; Morotti, Andrea; Brouwers, H. Bart; Charidimou, Andreas; Jessel, Michael J.; Auriel, Eitan; Pontes-Neto, Octávio; Ayres, Alison; Vashkevich, Anastasia; Schwab, Kristin M.; Rosand, Jonathan; Viswanathan, Anand; Gurol, Mahmut E.; Greenberg, Steven M.; Goldstein, Joshua N.

2017-01-01

IMPORTANCE Hematoma expansion is a potentially modifiable predictor of poor outcome following an acute intracerebral hemorrhage (ICH). The ability to identify patients with ICH who are likeliest to experience hematoma expansion and therefore likeliest to benefit from expansion-targeted treatments remains an unmet need. Hypodensities within an ICH detected by noncontrast computed tomography (NCCT) have been suggested as a predictor of hematoma expansion. OBJECTIVE To determine whether hypodense regions, irrespective of their specific patterns, are associated with hematoma expansion in patients with ICH. DESIGN, SETTING, AND PARTICIPANTS We analyzed a large cohort of 784 patients with ICH (the development cohort; 55.6% female), examined NCCT findings for any hypodensity, and replicated our findings on a different cohort of patients (the replication cohort; 52.7% female). Baseline and follow-up NCCT data from consecutive patients with ICH presenting to a tertiary care hospital between 1994 and 2015 were retrospectively analyzed. Data analyses were performed between December 2015 and January 2016. MAIN OUTCOMES AND MEASURES Hypodensities were analyzed by 2 independent blinded raters. The association between hypodensities and hematoma expansion (>6 cm3 or 33% of baseline volume) was determined by multivariable logistic regression after controlling for other variables associated with hematoma expansion in univariate analyses with P ≤ .10. RESULTS A total of 1029 patients were included in the analysis. In the development and replication cohorts, 222 of 784 patients (28.3%) and 99 of 245 patients (40.4%; 321 of 1029 patients [31.2%]), respectively, had NCCT scans that demonstrated hypodensities at baseline (κ = 0.87 for interrater reliability). In univariate analyses, hypodensities were associated with hematoma expansion (86 of 163 patients with hematoma expansion had hypodensities [52.8%], whereas 136 of 621 patients without hematoma expansion had hypodensities [21.9%]; P < .001). The association between hypodensities and hematoma expansion remained significant (odds ratio, 3.42 [95%CI, 2.21–5.31]; P < .001) in a multivariable model; other independent predictors of hematoma expansion were a CT angiography spot sign, a shorter time to CT, warfarin use, and older age. The independent predictive value of hypodensities was again demonstrated in the replication cohort (odds ratio, 4.37 [95%CI, 2.05–9.62]; P < .001). CONCLUSION AND RELEVANCE Hypodensities within an acute ICH detected on an NCCT scan may predict hematoma expansion, independent of other clinical and imaging predictors. This novel marker may help clarify the mechanism of hematoma expansion and serve as a useful addition to clinical algorithms for determining the risk of and treatment stratification for hematoma expansion. PMID:27323314

TWO-LEVEL TIME MARCHING SCHEME USING SPLINES FOR SOLVING THE ADVECTION EQUATION. (R826371C004)

EPA Science Inventory

A new numerical algorithm using quintic splines is developed and analyzed: quintic spline Taylor-series expansion (QSTSE). QSTSE is an Eulerian flux-based scheme that uses quintic splines to compute space derivatives and Taylor series expansion to march in time. The new scheme...

An Improved Heaviside Approach to Partial Fraction Expansion and Its Applications

ERIC Educational Resources Information Center

Man, Yiu-Kwong

2009-01-01

In this note, we present an improved Heaviside approach to compute the partial fraction expansions of proper rational functions. This method uses synthetic divisions to determine the unknown partial fraction coefficients successively, without the need to use differentiation or to solve a system of linear equations. Examples of its applications in…

Oscillating flow and heat transfer in a channel with sudden cross section change

NASA Technical Reports Server (NTRS)

Ibrahim, Mounir; Hashim, Waqar

1993-01-01

We have computationally examined oscillating flow (zero mean) between two parallel plates with a sudden change in cross section. The flow was assumed to be laminar incompressible with the inflow velocity uniform over the channel cross section but varying sinusoidally with time. The cases studied cover wide ranges of Re(sub max) (from 187.5 to 2000), Va (from 1 to 10.66), the expansion ratio (1:2 and 1:4) and A(sub r) (2 and 4). Also, three different geometric cases were discussed: (1) asymmetric expansion/contraction; (2) symmetric expansion/contraction; and (3) symmetric blunt body. For these oscillating flow conditions, the fluid undergoes sudden expansion in one-half of the cycle and sudden contraction inthe other half. The instantaneous friction factor, for some ranges of Re(sub max) and Va, deviated substantially from the steady-state friction factor for the same flow parameters. A region has been identified below which the flow is laminar quasi-steady. A videotape showing computer simulations of the oscillating flow demonstrates the usefulness of the current analyses in providing information on the transient hydraulic phenomena.

Defining chaos.

PubMed

Hunt, Brian R; Ott, Edward

2015-09-01

In this paper, we propose, discuss, and illustrate a computationally feasible definition of chaos which can be applied very generally to situations that are commonly encountered, including attractors, repellers, and non-periodically forced systems. This definition is based on an entropy-like quantity, which we call "expansion entropy," and we define chaos as occurring when this quantity is positive. We relate and compare expansion entropy to the well-known concept of topological entropy to which it is equivalent under appropriate conditions. We also present example illustrations, discuss computational implementations, and point out issues arising from attempts at giving definitions of chaos that are not entropy-based.

Perturbative computation in a generalized quantum field theory

NASA Astrophysics Data System (ADS)

Bezerra, V. B.; Curado, E. M.; Rego-Monteiro, M. A.

2002-10-01

We consider a quantum field theory that creates at any point of the space-time particles described by a q-deformed Heisenberg algebra which is interpreted as a phenomenological quantum theory describing the scattering of spin-0 composed particles. We discuss the generalization of Wick's expansion for this case and we compute perturbatively the scattering 1+2-->1'+2' to second order in the coupling constant. The result we find shows that the structure of a composed particle, described here phenomenologically by the deformed algebraic structure, can modify in a simple but nontrivial way the perturbation expansion for the process under consideration.

Exhaust Nozzle Plume Effects on Sonic Boom Test Results for Isolated Nozzles

NASA Technical Reports Server (NTRS)

Castner, Raymond S.

2011-01-01

Reducing or eliminating the operational restrictions of supersonic aircraft over populated areas has led to extensive research at NASA. Restrictions were due to the disturbance of the sonic boom, caused by the coalescence of shock waves formed off the aircraft. Recent work has been performed to reduce the magnitude of the sonic boom N-wave generated by airplane components with focus on shock waves caused by the exhaust nozzle plume. Previous Computational Fluid Dynamics (CFD) analysis showed how the shock wave formed at the nozzle lip interacts with the nozzle boat-tail expansion wave. An experiment was conducted in the 1- by 1-ft Supersonic Wind Tunnel at the NASA Glenn Research Center to validate the computational study. Results demonstrated how the nozzle lip shock moved with increasing nozzle pressure ratio (NPR) and reduced the nozzle boat-tail expansion, causing a favorable change in the observed pressure signature. Experimental results were presented for comparison to the CFD results. The strong nozzle lip shock at high values of NPR intersected the nozzle boat-tail expansion and suppressed the expansion wave. Based on these results, it may be feasible to reduce the boat-tail expansion for a future supersonic aircraft with under-expanded nozzle exhaust flow by modifying nozzle pressure or nozzle divergent section geometry.

Computers for the Disabled.

ERIC Educational Resources Information Center

Lazzaro, Joseph J.

1993-01-01

Describes adaptive technology for personal computers that accommodate disabled users and may require special equipment including hardware, memory, expansion slots, and ports. Highlights include vision aids, including speech synthesizers, magnification, braille, and optical character recognition (OCR); hearing adaptations; motor-impaired…

Superscattering of light optimized by a genetic algorithm

NASA Astrophysics Data System (ADS)

Mirzaei, Ali; Miroshnichenko, Andrey E.; Shadrivov, Ilya V.; Kivshar, Yuri S.

2014-07-01

We analyse scattering of light from multi-layer plasmonic nanowires and employ a genetic algorithm for optimizing the scattering cross section. We apply the mode-expansion method using experimental data for material parameters to demonstrate that our genetic algorithm allows designing realistic core-shell nanostructures with the superscattering effect achieved at any desired wavelength. This approach can be employed for optimizing both superscattering and cloaking at different wavelengths in the visible spectral range.

75 FR 75393 - Schools and Libraries Universal Service Support Mechanism and A National Broadband Plan for Our...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-12-03

... anchors, both as centers for digital literacy and as hubs for access to public computers. While their... expansion of computer labs, and facilitated deployment of new educational applications that would not have... computer fees to help defray the cost of computers or training fees to help cover the cost of training...

A Non-Local, Energy-Optimized Kernel: Recovering Second-Order Exchange and Beyond in Extended Systems

NASA Astrophysics Data System (ADS)

Bates, Jefferson; Laricchia, Savio; Ruzsinszky, Adrienn

The Random Phase Approximation (RPA) is quickly becoming a standard method beyond semi-local Density Functional Theory that naturally incorporates weak interactions and eliminates self-interaction error. RPA is not perfect, however, and suffers from self-correlation error as well as an incorrect description of short-ranged correlation typically leading to underbinding. To improve upon RPA we introduce a short-ranged, exchange-like kernel that is one-electron self-correlation free for one and two electron systems in the high-density limit. By tuning the one free parameter in our model to recover an exact limit of the homogeneous electron gas correlation energy we obtain a non-local, energy-optimized kernel that reduces the errors of RPA for both homogeneous and inhomogeneous solids. To reduce the computational cost of the standard kernel-corrected RPA, we also implement RPA renormalized perturbation theory for extended systems, and demonstrate its capability to describe the dominant correlation effects with a low-order expansion in both metallic and non-metallic systems. Furthermore we stress that for norm-conserving implementations the accuracy of RPA and beyond RPA structural properties compared to experiment is inherently limited by the choice of pseudopotential. Current affiliation: King's College London.

Reconstructing the vibro-acoustic quantities on a highly non-spherical surface using the Helmholtz equation least squares method.

PubMed

Natarajan, Logesh Kumar; Wu, Sean F

2012-06-01

This paper presents helpful guidelines and strategies for reconstructing the vibro-acoustic quantities on a highly non-spherical surface by using the Helmholtz equation least squares (HELS). This study highlights that a computationally simple code based on the spherical wave functions can produce an accurate reconstruction of the acoustic pressure and normal surface velocity on planar surfaces. The key is to select the optimal origin of the coordinate system behind the planar surface, choose a target structural wavelength to be reconstructed, set an appropriate stand-off distance and microphone spacing, use a hybrid regularization scheme to determine the optimal number of the expansion functions, etc. The reconstructed vibro-acoustic quantities are validated rigorously via experiments by comparing the reconstructed normal surface velocity spectra and distributions with the benchmark data obtained by scanning a laser vibrometer over the plate surface. Results confirm that following the proposed guidelines and strategies can ensure the accuracy in reconstructing the normal surface velocity up to the target structural wavelength, and produce much more satisfactory results than a straight application of the original HELS formulations. Experiment validations on a baffled, square plate were conducted inside a fully anechoic chamber.

Subpixel edge estimation with lens aberrations compensation based on the iterative image approximation for high-precision thermal expansion measurements of solids

NASA Astrophysics Data System (ADS)

Inochkin, F. M.; Kruglov, S. K.; Bronshtein, I. G.; Kompan, T. A.; Kondratjev, S. V.; Korenev, A. S.; Pukhov, N. F.

2017-06-01

A new method for precise subpixel edge estimation is presented. The principle of the method is the iterative image approximation in 2D with subpixel accuracy until the appropriate simulated is found, matching the simulated and acquired images. A numerical image model is presented consisting of three parts: an edge model, object and background brightness distribution model, lens aberrations model including diffraction. The optimal values of model parameters are determined by means of conjugate-gradient numerical optimization of a merit function corresponding to the L2 distance between acquired and simulated images. Computationally-effective procedure for the merit function calculation along with sufficient gradient approximation is described. Subpixel-accuracy image simulation is performed in a Fourier domain with theoretically unlimited precision of edge points location. The method is capable of compensating lens aberrations and obtaining the edge information with increased resolution. Experimental method verification with digital micromirror device applied to physically simulate an object with known edge geometry is shown. Experimental results for various high-temperature materials within the temperature range of 1000°C..2400°C are presented.

The AAHA Computer Program. American Animal Hospital Association.

PubMed

Albers, J W

1986-07-01

The American Animal Hospital Association Computer Program should benefit all small animal practitioners. Through the availability of well-researched and well-developed certified software, veterinarians will have increased confidence in their purchase decisions. With the expansion of computer applications to improve practice management efficiency, veterinary computer systems will further justify their initial expense. The development of the Association's veterinary computer network will provide a variety of important services to the profession.

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

Anastasiou, Charalampos; Duhr, Claude; Dulat, Falko

We present methods to compute higher orders in the threshold expansion for the one-loop production of a Higgs boson in association with two partons at hadron colliders. This process contributes to the N 3LO Higgs production cross section beyond the soft-virtual approximation. We use reverse unitarity to expand the phase-space integrals in the small kinematic parameters and to reduce the coefficients of the expansion to a small set of master integrals. We describe two methods for the calculation of the master integrals. The first was introduced for the calculation of the soft triple-real radiation relevant to N 3LO Higgs production.more » The second uses a particular factorization of the three body phase-space measure and the knowledge of the scaling properties of the integral itself. Our result is presented as a Laurent expansion in the dimensional regulator, although some of the master integrals are computed to all orders in this parameter.« less

Advanced Computational Methods for Optimization of Non-Periodic Inspection Intervals for Aging Infrastructure

DTIC Science & Technology

2017-01-05

AFRL-AFOSR-JP-TR-2017-0002 Advanced Computational Methods for Optimization of Non-Periodic Inspection Intervals for Aging Infrastructure Manabu...Computational Methods for Optimization of Non-Periodic Inspection Intervals for Aging Infrastructure 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA2386...UNLIMITED: PB Public Release 13. SUPPLEMENTARY NOTES 14. ABSTRACT This report for the project titled ’Advanced Computational Methods for Optimization of

Optimization of a Tube Hydroforming Process

NASA Astrophysics Data System (ADS)

Abedrabbo, Nader; Zafar, Naeem; Averill, Ron; Pourboghrat, Farhang; Sidhu, Ranny

2004-06-01

An approach is presented to optimize a tube hydroforming process using a Genetic Algorithm (GA) search method. The goal of the study is to maximize formability by identifying the optimal internal hydraulic pressure and feed rate while satisfying the forming limit diagram (FLD). The optimization software HEEDS is used in combination with the nonlinear structural finite element code LS-DYNA to carry out the investigation. In particular, a sub-region of a circular tube blank is formed into a square die. Compared to the best results of a manual optimization procedure, a 55% increase in expansion was achieved when using the pressure and feed profiles identified by the automated optimization procedure.

Bringing Good Things to Life

ERIC Educational Resources Information Center

Morrison, Ira L.

2017-01-01

This article describes the expansion of the main campus of the Sacred Heart University (SHU) (Connecticut), with the recent purchase of 66-acres of space (former G.E. headquarters site). SHU named this new space their West Campus and it will used to house their School of Computing, (computer engineering, computer gaming and cybersecurity) and new…

ALOHA System Technical Reports 16, 19, 24, 28, and 30, 1974.

ERIC Educational Resources Information Center

Hawaii Univ., Honolulu. ALOHA System.

A series of technical reports based on the Aloha System for educational computer programs provide a background on how various countries in the Pacific region developed computer capabilities and describe their current operations, as well as prospects for future expansion. Included are studies on the Japan-Hawaii TELEX and Satellite; computers at…

METRO-APEX Volume 2.1: Computer Operator's Manual. Revised.

ERIC Educational Resources Information Center

University of Southern California, Los Angeles. COMEX Research Project.

The Computer Operator's Manual is one of a set of twenty-one manuals used in METRO-APEX 1974, a computerized college and professional level, computer-supported, role-play, simulation exercise of a community with "normal" problems. Stress is placed on environmental quality considerations. APEX 1974 is an expansion of APEX--Air Pollution…

Large Eddy Simulation of the fuel transport and mixing process in a scramjet combustor with rearwall-expansion cavity

NASA Astrophysics Data System (ADS)

Cai, Zun; Liu, Xiao; Gong, Cheng; Sun, Mingbo; Wang, Zhenguo; Bai, Xue-Song

2016-09-01

Large Eddy Simulation (LES) was employed to investigate the fuel/oxidizer mixing process in an ethylene fueled scramjet combustor with a rearwall-expansion cavity. The numerical solver was first validated for an experimental flow, the DLR strut-based scramjet combustor case. Shock wave structures and wall-pressure distribution from the numerical simulations were compared with experimental data and the numerical results were shown in good agreement with the available experimental data. Effects of the injection location on the flow and mixing process were then studied. It was found that with a long injection distance upstream the cavity, the fuel is transported much further into the main flow and a smaller subsonic zone is formed inside the cavity. Conversely, with a short injection distance, the fuel is entrained more into the cavity and a larger subsonic zone is formed inside the cavity, which is favorable for ignition in the cavity. For the rearwall-expansion cavity, it is suggested that the optimized ignition location with a long upstream injection distance should be in the bottom wall in the middle part of the cavity, while the optimized ignition location with a short upstream injection distance should be in the bottom wall in the front side of the cavity. By employing a cavity direct injection on the rear wall, the fuel mass fraction inside the cavity and the local turbulent intensity will both be increased due to this fueling, and it will also enhance the mixing process which will also lead to increased mixing efficiency. For the rearwall-expansion cavity, the combined injection scheme is expected to be an optimized injection scheme.

Lightweight Mechanical Metamaterials with Tunable Negative Thermal Expansion

NASA Astrophysics Data System (ADS)

Wang, Qiming; Jackson, Julie A.; Ge, Qi; Hopkins, Jonathan B.; Spadaccini, Christopher M.; Fang, Nicholas X.

2016-10-01

Ice floating on water is a great manifestation of negative thermal expansion (NTE) in nature. The limited examples of natural materials possessing NTE have stimulated research on engineered structures. Previous studies on NTE structures were mostly focused on theoretical design with limited experimental demonstration in two-dimensional planar geometries. In this work, aided with multimaterial projection microstereolithography, we experimentally fabricate lightweight multimaterial lattices that exhibit significant negative thermal expansion in three directions and over a temperature range of 170 degrees. Such NTE is induced by the structural interaction of material components with distinct thermal expansion coefficients. The NTE can be tuned over a large range by varying the thermal expansion coefficient difference between constituent beams and geometrical arrangements. Our experimental results match qualitatively with a simple scaling law and quantitatively with computational models.

Modeling and Analysis of Power Processing Systems (MAPPS), initial phase 2

NASA Technical Reports Server (NTRS)

Yu, Y.; Lee, F. C.; Wangenheim, H.; Warren, D.

1977-01-01

The overall objective of the program is to provide the engineering tools to reduce the analysis, design, and development effort, and thus the cost, in achieving the required performances for switching regulators and dc-dc converter systems. The program was both tutorial and application oriented. Various analytical methods were described in detail and supplemented with examples, and those with standardization appeals were reduced into computer-based subprograms. Major program efforts included those concerning small and large signal control-dependent performance analysis and simulation, control circuit design, power circuit design and optimization, system configuration study, and system performance simulation. Techniques including discrete time domain, conventional frequency domain, Lagrange multiplier, nonlinear programming, and control design synthesis were employed in these efforts. To enhance interactive conversation between the modeling and analysis subprograms and the user, a working prototype of the Data Management Program was also developed to facilitate expansion as future subprogram capabilities increase.

[Design and Implementation of a Novel Networked Sleep Monitoring System].

PubMed

Tian, Yu; Yan, Zhuangzhi; Tao, Jia'an

2015-03-01

To meet the need of cost-effective multi-biosignal monitoring devices nowadays, we designed a system based on super low power MCU. It can collect, record and transfer several signals including ECG, Oxygen saturation, thoracic and abdominal wall expansion, oronasal airflow signal. The data files can be stored on a flash chip and transferred to a computer by a USB module. In addition, the sensing data can be sent wirelessly in real time. Considering that long term work of wireless module consumes much energy, we present a low-power optimization method based on delay constraint. Lower energy consumption comes at the cost of little delay. Experimental results show that it can effectively decrease the energy consumption without changing wireless module and transfer protocol. Besides, our system is powered by two dry batteries and can work at least 8 hours throughout a whole night.

Gaussian polarizable-ion tight binding.

PubMed

Boleininger, Max; Guilbert, Anne Ay; Horsfield, Andrew P

2016-10-14

To interpret ultrafast dynamics experiments on large molecules, computer simulation is required due to the complex response to the laser field. We present a method capable of efficiently computing the static electronic response of large systems to external electric fields. This is achieved by extending the density-functional tight binding method to include larger basis sets and by multipole expansion of the charge density into electrostatically interacting Gaussian distributions. Polarizabilities for a range of hydrocarbon molecules are computed for a multipole expansion up to quadrupole order, giving excellent agreement with experimental values, with average errors similar to those from density functional theory, but at a small fraction of the cost. We apply the model in conjunction with the polarizable-point-dipoles model to estimate the internal fields in amorphous poly(3-hexylthiophene-2,5-diyl).

Gaussian polarizable-ion tight binding

NASA Astrophysics Data System (ADS)

Boleininger, Max; Guilbert, Anne AY; Horsfield, Andrew P.

2016-10-01

To interpret ultrafast dynamics experiments on large molecules, computer simulation is required due to the complex response to the laser field. We present a method capable of efficiently computing the static electronic response of large systems to external electric fields. This is achieved by extending the density-functional tight binding method to include larger basis sets and by multipole expansion of the charge density into electrostatically interacting Gaussian distributions. Polarizabilities for a range of hydrocarbon molecules are computed for a multipole expansion up to quadrupole order, giving excellent agreement with experimental values, with average errors similar to those from density functional theory, but at a small fraction of the cost. We apply the model in conjunction with the polarizable-point-dipoles model to estimate the internal fields in amorphous poly(3-hexylthiophene-2,5-diyl).

Refugee Resettlement Patterns and State-Level Health Care Insurance Access in the United States

PubMed Central

Venkatesh, Arjun Krishna

2016-01-01

We sought to evaluate the relationship between state-level implementation of the Patient Protection and Affordable Care Act (ACA) and resettlement patterns among refugees. We linked federal refugee resettlement data to ACA expansion data and found that refugee resettlement rates are not significantly different according to state-level insurance expansion or cost. Forty percent of refugees have resettled to states without Medicaid expansion. The wide state-level variability in implementation of the ACA should be considered by federal agencies seeking to optimize access to health insurance coverage among refugees who have resettled to the United States. PMID:26890186

A Method for Measuring Collection Expansion Rates and Shelf Space Capacities.

ERIC Educational Resources Information Center

Sapp, Gregg; Suttle, George

1994-01-01

Describes an effort to quantify annual collection expansion and shelf space capacities with a computer spreadsheet program. Methods used to quantify the space taken at the beginning of the project; to estimate annual rate of collection growth; and to plot stack space and usage, volume equivalents and usage, and growth capacity are covered.…

Virtual substitution scan via single-step free energy perturbation.

PubMed

Chiang, Ying-Chih; Wang, Yi

2016-02-05

With the rapid expansion of our computing power, molecular dynamics (MD) simulations ranging from hundreds of nanoseconds to microseconds or even milliseconds have become increasingly common. The majority of these long trajectories are obtained from plain (vanilla) MD simulations, where no enhanced sampling or free energy calculation method is employed. To promote the 'recycling' of these trajectories, we developed the Virtual Substitution Scan (VSS) toolkit as a plugin of the open-source visualization and analysis software VMD. Based on the single-step free energy perturbation (sFEP) method, VSS enables the user to post-process a vanilla MD trajectory for a fast free energy scan of substituting aryl hydrogens by small functional groups. Dihedrals of the functional groups are sampled explicitly in VSS, which improves the performance of the calculation and is found particularly important for certain groups. As a proof-of-concept demonstration, we employ VSS to compute the solvation free energy change upon substituting the hydrogen of a benzene molecule by 12 small functional groups frequently considered in lead optimization. Additionally, VSS is used to compute the relative binding free energy of four selected ligands of the T4 lysozyme. Overall, the computational cost of VSS is only a fraction of the corresponding multi-step FEP (mFEP) calculation, while its results agree reasonably well with those of mFEP, indicating that VSS offers a promising tool for rapid free energy scan of small functional group substitutions. This article is protected by copyright. All rights reserved. © 2016 Wiley Periodicals, Inc.

Capacity planning for batch and perfusion bioprocesses across multiple biopharmaceutical facilities.

PubMed

Siganporia, Cyrus C; Ghosh, Soumitra; Daszkowski, Thomas; Papageorgiou, Lazaros G; Farid, Suzanne S

2014-01-01

Production planning for biopharmaceutical portfolios becomes more complex when products switch between fed-batch and continuous perfusion culture processes. This article describes the development of a discrete-time mixed integer linear programming (MILP) model to optimize capacity plans for multiple biopharmaceutical products, with either batch or perfusion bioprocesses, across multiple facilities to meet quarterly demands. The model comprised specific features to account for products with fed-batch or perfusion culture processes such as sequence-dependent changeover times, continuous culture constraints, and decoupled upstream and downstream operations that permit independent scheduling of each. Strategic inventory levels were accounted for by applying cost penalties when they were not met. A rolling time horizon methodology was utilized in conjunction with the MILP model and was shown to obtain solutions with greater optimality in less computational time than the full-scale model. The model was applied to an industrial case study to illustrate how the framework aids decisions regarding outsourcing capacity to third party manufacturers or building new facilities. The impact of variations on key parameters such as demand or titres on the optimal production plans and costs was captured. The analysis identified the critical ratio of in-house to contract manufacturing organization (CMO) manufacturing costs that led the optimization results to favor building a future facility over using a CMO. The tool predicted that if titres were higher than expected then the optimal solution would allocate more production to in-house facilities, where manufacturing costs were lower. Utilization graphs indicated when capacity expansion should be considered. © 2014 The Authors Biotechnology Progress published by Wiley Periodicals, Inc. on behalf of American Institute of Chemical Engineers.

Capacity Planning for Batch and Perfusion Bioprocesses Across Multiple Biopharmaceutical Facilities

PubMed Central

Siganporia, Cyrus C; Ghosh, Soumitra; Daszkowski, Thomas; Papageorgiou, Lazaros G; Farid, Suzanne S

2014-01-01

Production planning for biopharmaceutical portfolios becomes more complex when products switch between fed-batch and continuous perfusion culture processes. This article describes the development of a discrete-time mixed integer linear programming (MILP) model to optimize capacity plans for multiple biopharmaceutical products, with either batch or perfusion bioprocesses, across multiple facilities to meet quarterly demands. The model comprised specific features to account for products with fed-batch or perfusion culture processes such as sequence-dependent changeover times, continuous culture constraints, and decoupled upstream and downstream operations that permit independent scheduling of each. Strategic inventory levels were accounted for by applying cost penalties when they were not met. A rolling time horizon methodology was utilized in conjunction with the MILP model and was shown to obtain solutions with greater optimality in less computational time than the full-scale model. The model was applied to an industrial case study to illustrate how the framework aids decisions regarding outsourcing capacity to third party manufacturers or building new facilities. The impact of variations on key parameters such as demand or titres on the optimal production plans and costs was captured. The analysis identified the critical ratio of in-house to contract manufacturing organization (CMO) manufacturing costs that led the optimization results to favor building a future facility over using a CMO. The tool predicted that if titres were higher than expected then the optimal solution would allocate more production to in-house facilities, where manufacturing costs were lower. Utilization graphs indicated when capacity expansion should be considered. © 2013 The Authors Biotechnology Progress published by Wiley Periodicals, Inc. on behalf of American Institute of Chemical Engineers Biotechnol. Prog., 30:594–606, 2014 PMID:24376262

Capacity planning for waste management systems: an interval fuzzy robust dynamic programming approach.

PubMed

Nie, Xianghui; Huang, Guo H; Li, Yongping

2009-11-01

This study integrates the concepts of interval numbers and fuzzy sets into optimization analysis by dynamic programming as a means of accounting for system uncertainty. The developed interval fuzzy robust dynamic programming (IFRDP) model improves upon previous interval dynamic programming methods. It allows highly uncertain information to be effectively communicated into the optimization process through introducing the concept of fuzzy boundary interval and providing an interval-parameter fuzzy robust programming method for an embedded linear programming problem. Consequently, robustness of the optimization process and solution can be enhanced. The modeling approach is applied to a hypothetical problem for the planning of waste-flow allocation and treatment/disposal facility expansion within a municipal solid waste (MSW) management system. Interval solutions for capacity expansion of waste management facilities and relevant waste-flow allocation are generated and interpreted to provide useful decision alternatives. The results indicate that robust and useful solutions can be obtained, and the proposed IFRDP approach is applicable to practical problems that are associated with highly complex and uncertain information.

Using "big data" to optimally model hydrology and water quality across expansive regions

USGS Publications Warehouse

Roehl, E.A.; Cook, J.B.; Conrads, P.A.

2009-01-01

This paper describes a new divide and conquer approach that leverages big environmental data, utilizing all available categorical and time-series data without subjectivity, to empirically model hydrologic and water-quality behaviors across expansive regions. The approach decomposes large, intractable problems into smaller ones that are optimally solved; decomposes complex signals into behavioral components that are easier to model with "sub- models"; and employs a sequence of numerically optimizing algorithms that include time-series clustering, nonlinear, multivariate sensitivity analysis and predictive modeling using multi-layer perceptron artificial neural networks, and classification for selecting the best sub-models to make predictions at new sites. This approach has many advantages over traditional modeling approaches, including being faster and less expensive, more comprehensive in its use of available data, and more accurate in representing a system's physical processes. This paper describes the application of the approach to model groundwater levels in Florida, stream temperatures across Western Oregon and Wisconsin, and water depths in the Florida Everglades. ?? 2009 ASCE.

Characterization and Application of a Disposable Rotating Bed Bioreactor for Mesenchymal Stem Cell Expansion.

PubMed

Neumann, Anne; Lavrentieva, Antonina; Heilkenbrinker, Alexandra; Loenne, Maren; Kasper, Cornelia

2014-11-27

Recruitment of mesenchymal stromal cells (MSC) into the field of tissue engineering is a promising development since these cells can be expanded vivo to clinically relevant numbers and, after expansion, retain their ability to differentiate into various cell lineages. Safety requirements and the necessity to obtain high cell numbers without frequent subcultivation of cells raised the question of the possibility of expanding MSC in one-way (single-use) disposable bioreactors. In this study, umbilical cord-derived MSC (UC-MSC) were expanded in a disposable Z 2000 H bioreactor under dynamic conditions. Z was characterized regarding residence time and mixing in order to evaluate the optimal bioreactor settings, enabling optimal mass transfer in the absence of shear stress, allowing an reproducible expansion of MSC, while maintaining their stemness properties. Culture of the UC-MSC in disposable Z 2000 H bioreactor resulted in a reproducible 8-fold increase of cell numbers after 5 days. Cells were shown to maintain specific MSC surface marker expression as well as trilineage differentiation potential and lack stress-induced premature senescence.

Controlling Thermal Expansion: A Metal–Organic Frameworks Route

PubMed Central

2016-01-01

Controlling thermal expansion is an important, not yet resolved, and challenging problem in materials research. A conceptual design is introduced here, for the first time, for the use of metal–organic frameworks (MOFs) as platforms for controlling thermal expansion devices that can operate in the negative, zero, and positive expansion regimes. A detailed computer simulation study, based on molecular dynamics, is presented to support the targeted application. MOF-5 has been selected as model material, along with three molecules of similar size and known differences in terms of the nature of host–guest interactions. It has been shown that adsorbate molecules can control, in a colligative way, the thermal expansion of the solid, so that changing the adsorbate molecules induces the solid to display positive, zero, or negative thermal expansion. We analyze in depth the distortion mechanisms, beyond the ligand metal junction, to cover the ligand distortions, and the energetic and entropic effect on the thermo-structural behavior. We provide an unprecedented atomistic insight on the effect of adsorbates on the thermal expansion of MOFs as a basic tool toward controlling the thermal expansion. PMID:28190918

Analyzing Pulse-Code Modulation On A Small Computer

NASA Technical Reports Server (NTRS)

Massey, David E.

1988-01-01

System for analysis pulse-code modulation (PCM) comprises personal computer, computer program, and peripheral interface adapter on circuit board that plugs into expansion bus of computer. Functions essentially as "snapshot" PCM decommutator, which accepts and stores thousands of frames of PCM data, sifts through them repeatedly to process according to routines specified by operator. Enables faster testing and involves less equipment than older testing systems.

Space Ultrareliable Modular Computer (SUMC) instruction simulator

NASA Technical Reports Server (NTRS)

Curran, R. T.

1972-01-01

The design principles, description, functional operation, and recommended expansion and enhancements are presented for the Space Ultrareliable Modular Computer interpretive simulator. Included as appendices are the user's manual, program module descriptions, target instruction descriptions, simulator source program listing, and a sample program printout. In discussing the design and operation of the simulator, the key problems involving host computer independence and target computer architectural scope are brought into focus.

Silicon Wafer Advanced Packaging (SWAP). Multichip Module (MCM) Foundry Study. Version 2

DTIC Science & Technology

1991-04-08

Next Layer Dielectric Spacing - Additional Metal Thickness Impact on Dielectric Uniformity/Adhiesion. The first step in .!Ie EPerimental design would be... design CAM - computer aided manufacturing CAE - computer aided engineering CALCE - computer aided life cycle engineering center CARMA - computer aided...expansion 5 j- CVD - chemical vapor deposition J . ..- j DA - design automation J , DEC - Digital Equipment Corporation --- DFT - design for testability

Transverse changes determined by rapid and slow maxillary expansion--a low-dose CT-based randomized controlled trial.

PubMed

Martina, R; Cioffi, I; Farella, M; Leone, P; Manzo, P; Matarese, G; Portelli, M; Nucera, R; Cordasco, G

2012-08-01

To compare transverse skeletal changes produced by rapid (RME) and slow (SME) maxillary expansion using low-dose computed tomography. The null hypothesis was that SME and RME are equally effective in producing skeletal maxillary expansion in patients with posterior crossbite. This study was carried out at the Department of Oral Sciences, University of Naples Federico II, Italy. Twelve patients (seven males, five females, mean age ± SD: 10.3 ± 2.5 years) were allocated to the SME group and 14 patients (six males, eight females, mean age ± SD: 9.7 ± 1.5 years) to the RME group. All patients received a two-band palatal expander and were randomly allocated to either RME or SME. Low-dose computed tomography was used to identify skeletal and dental landmarks and to measure transverse maxillary changes with treatment. A significant increase in skeletal transverse diameters was found in both SME and RME groups (anterior expansion = 2.2 ± 1.4 mm, posterior expansion = 2.2 ± 0.9 mm, pterygoid expansion = 0.9 ± 0.8 mm). No significant differences were found between groups at anterior (SME = 1.9 ± 1.3 mm; RME = 2.5 ± 1.5 mm) or posterior (SME = 1.9 ± 1.0 mm; RME = 2.4 ± 0.9 mm) locations, while a statistically significant difference was measured at the pterygoid processes (SME = 0.6 ± 0.6 mm; RME = 1.2 ± 0.9 mm, p = 0.04), which was not clinically relevant. Rapid maxillary expansion is not more effective than SME in expanding the maxilla in patients with posterior crossbite. © 2012 John Wiley & Sons A/S.

Computer program determines chemical equilibria in complex systems

NASA Technical Reports Server (NTRS)

Gordon, S.; Zeleznik, F. J.

1966-01-01

Computer program numerically solves nonlinear algebraic equations for chemical equilibrium based on iteration equations independent of choice of components. This program calculates theoretical performance for frozen and equilibrium composition during expansion and Chapman-Jouguet flame properties, studies combustion, and designs hardware.

Extended Analytic Device Optimization Employing Asymptotic Expansion

NASA Technical Reports Server (NTRS)

Mackey, Jonathan; Sehirlioglu, Alp; Dynsys, Fred

2013-01-01

Analytic optimization of a thermoelectric junction often introduces several simplifying assumptionsincluding constant material properties, fixed known hot and cold shoe temperatures, and thermallyinsulated leg sides. In fact all of these simplifications will have an effect on device performance,ranging from negligible to significant depending on conditions. Numerical methods, such as FiniteElement Analysis or iterative techniques, are often used to perform more detailed analysis andaccount for these simplifications. While numerical methods may stand as a suitable solution scheme,they are weak in gaining physical understanding and only serve to optimize through iterativesearching techniques. Analytic and asymptotic expansion techniques can be used to solve thegoverning system of thermoelectric differential equations with fewer or less severe assumptionsthan the classic case. Analytic methods can provide meaningful closed form solutions and generatebetter physical understanding of the conditions for when simplifying assumptions may be valid.In obtaining the analytic solutions a set of dimensionless parameters, which characterize allthermoelectric couples, is formulated and provide the limiting cases for validating assumptions.Presentation includes optimization of both classic rectangular couples as well as practically andtheoretically interesting cylindrical couples using optimization parameters physically meaningful toa cylindrical couple. Solutions incorporate the physical behavior for i) thermal resistance of hot andcold shoes, ii) variable material properties with temperature, and iii) lateral heat transfer through legsides.

Particle Impact Erosion. Volume 4. User’s Manual Erosion Prediction Procedure for Rocket Nozzle Expansion Region

DTIC Science & Technology

1983-05-01

empirical erosion model, with use of the debris-layer model optional. 1.1 INTERFACE WITH ISPP ISPP is a collection of computer codes designed to calculate...expansion with the ODK code, 4. A two-dimensional, two-phase nozzle expansion with the TD2P code, 5. A turbulent boundary layer solution along the...INPUT THERMODYNAMIC DATA FOR TEMPERATURESBELOW 300°K OIF NEEDED) NO A• 11 READ SSP NAMELIST (ODE. BAL. ODK . TD2P. TEL. NOZZLE GEOMETRY) PROfLM 2

Streamtube expansion effects on the Darrieus wind turbine

NASA Astrophysics Data System (ADS)

Paraschivoiu, I.; Fraunie, P.; Beguier, C.

1985-04-01

The purpose of the work described in this paper was to determine the aerodynamic loads and performance of a Darrieus wind turbine by including the expansion effects of the streamtubes through the rotor. The double-multiple streamtube model with variable interference factors was used to estimate the induced velocities with a modified CARDAAV computer code. Comparison with measured data and predictions shows that the stream-tube expansion effects are relatively significant at high tip-speed ratios, allowing a more realistic modeling of the upwind/downwind flowfield asymmetries inherent in the Darrieus rotor.

Nonlocal Symmetries, Consistent Riccati Expansion, and Analytical Solutions of the Variant Boussinesq System

NASA Astrophysics Data System (ADS)

Feng, Lian-Li; Tian, Shou-Fu; Zhang, Tian-Tian; Zhou, Jun

2017-07-01

Under investigation in this paper is the variant Boussinesq system, which describes the propagation of surface long wave towards two directions in a certain deep trough. With the help of the truncated Painlevé expansion, we construct its nonlocal symmetry, Bäcklund transformation, and Schwarzian form, respectively. The nonlocal symmetries can be localised to provide the corresponding nonlocal group, and finite symmetry transformations and similarity reductions are computed. Furthermore, we verify that the variant Boussinesq system is solvable via the consistent Riccati expansion (CRE). By considering the consistent tan-function expansion (CTE), which is a special form of CRE, the interaction solutions between soliton and cnoidal periodic wave are explicitly studied.

On the Validity of Continuum Computational Fluid Dynamics Approach Under Very Low-Pressure Plasma Spray Conditions

NASA Astrophysics Data System (ADS)

Ivchenko, Dmitrii; Zhang, Tao; Mariaux, Gilles; Vardelle, Armelle; Goutier, Simon; Itina, Tatiana E.

2018-01-01

Plasma spray physical vapor deposition aims to substantially evaporate powders in order to produce coatings with various microstructures. This is achieved by powder vapor condensation onto the substrate and/or by deposition of fine melted powder particles and nanoclusters. The deposition process typically operates at pressures ranging between 10 and 200 Pa. In addition to the experimental works, numerical simulations are performed to better understand the process and optimize the experimental conditions. However, the combination of high temperatures and low pressure with shock waves initiated by supersonic expansion of the hot gas in the low-pressure medium makes doubtful the applicability of the continuum approach for the simulation of such a process. This work investigates (1) effects of the pressure dependence of thermodynamic and transport properties on computational fluid dynamics (CFD) predictions and (2) the validity of the continuum approach for thermal plasma flow simulation under very low-pressure conditions. The study compares the flow fields predicted with a continuum approach using CFD software with those obtained by a kinetic-based approach using a direct simulation Monte Carlo method (DSMC). It also shows how the presence of high gradients can contribute to prediction errors for typical PS-PVD conditions.

Making a meaningful impact: modelling simultaneous frictional collisions in spatial multibody systems

PubMed Central

Uchida, Thomas K.; Sherman, Michael A.; Delp, Scott L.

2015-01-01

Impacts are instantaneous, computationally efficient approximations of collisions. Current impact models sacrifice important physical principles to achieve that efficiency, yielding qualitative and quantitative errors when applied to simultaneous impacts in spatial multibody systems. We present a new impact model that produces behaviour similar to that of a detailed compliant contact model, while retaining the efficiency of an instantaneous method. In our model, time and configuration are fixed, but the impact is resolved into distinct compression and expansion phases, themselves comprising sliding and rolling intervals. A constrained optimization problem is solved for each interval to compute incremental impulses while respecting physical laws and principles of contact mechanics. We present the mathematical model, algorithms for its practical implementation, and examples that demonstrate its effectiveness. In collisions involving materials of various stiffnesses, our model can be more than 20 times faster than integrating through the collision using a compliant contact model. This work extends the use of instantaneous impact models to scientific and engineering applications with strict accuracy requirements, where compliant contact models would otherwise be required. An open-source implementation is available in Simbody, a C++ multibody dynamics library widely used in biomechanical and robotic applications. PMID:27547093

Fast Virtual Stenting with Active Contour Models in Intracranical Aneurysm

PubMed Central

Zhong, Jingru; Long, Yunling; Yan, Huagang; Meng, Qianqian; Zhao, Jing; Zhang, Ying; Yang, Xinjian; Li, Haiyun

2016-01-01

Intracranial stents are becoming increasingly a useful option in the treatment of intracranial aneurysms (IAs). Image simulation of the releasing stent configuration together with computational fluid dynamics (CFD) simulation prior to intervention will help surgeons optimize intervention scheme. This paper proposed a fast virtual stenting of IAs based on active contour model (ACM) which was able to virtually release stents within any patient-specific shaped vessel and aneurysm models built on real medical image data. In this method, an initial stent mesh was generated along the centerline of the parent artery without the need for registration between the stent contour and the vessel. Additionally, the diameter of the initial stent volumetric mesh was set to the maximum inscribed sphere diameter of the parent artery to improve the stenting accuracy and save computational cost. At last, a novel criterion for terminating virtual stent expanding that was based on the collision detection of the axis aligned bounding boxes was applied, making the stent expansion free of edge effect. The experiment results of the virtual stenting and the corresponding CFD simulations exhibited the efficacy and accuracy of the ACM based method, which are valuable to intervention scheme selection and therapy plan confirmation. PMID:26876026

A robust and efficient stepwise regression method for building sparse polynomial chaos expansions

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

Abraham, Simon, E-mail: Simon.Abraham@ulb.ac.be; Raisee, Mehrdad; Ghorbaniasl, Ghader

2017-03-01

Polynomial Chaos (PC) expansions are widely used in various engineering fields for quantifying uncertainties arising from uncertain parameters. The computational cost of classical PC solution schemes is unaffordable as the number of deterministic simulations to be calculated grows dramatically with the number of stochastic dimension. This considerably restricts the practical use of PC at the industrial level. A common approach to address such problems is to make use of sparse PC expansions. This paper presents a non-intrusive regression-based method for building sparse PC expansions. The most important PC contributions are detected sequentially through an automatic search procedure. The variable selectionmore » criterion is based on efficient tools relevant to probabilistic method. Two benchmark analytical functions are used to validate the proposed algorithm. The computational efficiency of the method is then illustrated by a more realistic CFD application, consisting of the non-deterministic flow around a transonic airfoil subject to geometrical uncertainties. To assess the performance of the developed methodology, a detailed comparison is made with the well established LAR-based selection technique. The results show that the developed sparse regression technique is able to identify the most significant PC contributions describing the problem. Moreover, the most important stochastic features are captured at a reduced computational cost compared to the LAR method. The results also demonstrate the superior robustness of the method by repeating the analyses using random experimental designs.« less

Defined Serum-Free Medium for Bioreactor Culture of an Immortalized Human Erythroblast Cell Line.

PubMed

Lee, Esmond; Lim, Zhong Ri; Chen, Hong-Yu; Yang, Bin Xia; Lam, Alan Tin-Lun; Chen, Allen Kuan-Liang; Sivalingam, Jaichandran; Reuveny, Shaul; Loh, Yuin-Han; Oh, Steve Kah-Weng

2018-04-01

Anticipated shortages in donated blood supply have prompted investigation of alternative approaches for in vitro production of red blood cells (RBCs), such as expansion of conditional immortalization erythroid progenitors. However, there is a bioprocessing challenge wherein factors promoting maximal cell expansion and growth-limiting inhibitory factors are yet to be investigated. The authors use an erythroblast cell line (ImEry) derived from immortalizing CD71+CD235a+ erythroblast from adult peripheral blood for optimization of expansion culture conditions. Design of experiments (DOE) is used in media formulation to explore relationships and interactive effects between factors which affect cell expansion. Our in-house optimized medium formulation produced significantly higher cell densities (3.62 ± 0.055) × 10 6  cells mL -1 , n = 3) compared to commercial formulations (2.07 ± 0.055) × 10 6  cells mL -1 , n = 3; at 209 h culture). Culture media costs per unit of blood is shown to have a 2.96-3.09 times cost reduction. As a proof of principle for scale up, ImEry are expanded in a half-liter stirred-bioreactor under controlled settings. Growth characteristics, metabolic, and molecular profile of the cells are evaluated. ImEry has identical O 2 binding capacity to adult erythroblasts. Amino acid supplementation results in further yield improvements. The study serves as a first step for scaling up erythroblast expansion in controlled bioreactors. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

U(1) current from the AdS/CFT: diffusion, conductivity and causality

NASA Astrophysics Data System (ADS)

Bu, Yanyan; Lublinsky, Michael; Sharon, Amir

2016-04-01

For a holographically defined finite temperature theory, we derive an off-shell constitutive relation for a global U(1) current driven by a weak external non-dynamical electromagnetic field. The constitutive relation involves an all order gradient expansion resummed into three momenta-dependent transport coefficient functions: diffusion, electric conductivity, and "magnetic" conductivity. These transport functions are first computed analytically in the hydrodynamic limit, up to third order in the derivative expansion, and then numerically for generic values of momenta. We also compute a diffusion memory function, which, as a result of all order gradient resummation, is found to be causal.

Gravitational waves from rotating and precessing rigid bodies. 2: General solutions and computationally useful formulae

NASA Technical Reports Server (NTRS)

Zimmerman, M.

1979-01-01

The classical mechanics results for free precession which are needed in order to calculate the weak field, slow-motion, quadrupole-moment gravitational waves are reviewed. Within that formalism, algorithms are given for computing the exact gravitational power radiated and waveforms produced by arbitrary rigid-body freely-precessing sources. The dominant terms are presented in series expansions of the waveforms for the case of an almost spherical object precessing with a small wobble angle. These series expansions, which retain the precise frequency dependence of the waves, may be useful for gravitational astronomers when freely-precessing sources begin to be observed.

Investigation of Key Parameters of Rock Cracking Using the Expansion of Vermiculite Materials

PubMed Central

Ahn, Chi-Hyung; Hu, Jong Wan

2015-01-01

The demand for the development of underground spaces has been sharply increased in lieu of saturated ground spaces because the residents of cities have steadily increased since the 1980s. The traditional widely used excavation methods (i.e., explosion and shield) have caused many problems, such as noise, vibration, extended schedule, and increased costs. The vibration-free (and explosion-free) excavation method has currently attracted attention in the construction site because of the advantage of definitively solving these issues. For such reason, a new excavation method that utilizes the expansion of vermiculite with relatively fewer defects is proposed in this study. In general, vermiculite materials are rapidly expanded in volume when they receive thermal energy. Expansion pressure can be produced by thermal expansion of vermiculite in a steel tube, and measured by laboratory tests. The experimental tests are performed with various influencing parameters in an effort to seek the optimal condition to effectively increase expansion pressure at the same temperature. Then, calibrated expansion pressure is estimated, and compared to each model. After analyzing test results for expansion pressure, it is verified that vermiculite expanded by heat can provide enough internal pressure to break hard rock during tunneling work. PMID:28793610

Investigation of Key Parameters of Rock Cracking Using the Expansion of Vermiculite Materia.

PubMed

Ahn, Chi-Hyung; Hu, Jong Wan

2015-10-12

The demand for the development of underground spaces has been sharply increased in lieu of saturated ground spaces because the residents of cities have steadily increased since the 1980s. The traditional widely used excavation methods ( i.e ., explosion and shield) have caused many problems, such as noise, vibration, extended schedule, and increased costs. The vibration-free (and explosion-free) excavation method has currently attracted attention in the construction site because of the advantage of definitively solving these issues. For such reason, a new excavation method that utilizes the expansion of vermiculite with relatively fewer defects is proposed in this study. In general, vermiculite materials are rapidly expanded in volume when they receive thermal energy. Expansion pressure can be produced by thermal expansion of vermiculite in a steel tube, and measured by laboratory tests. The experimental tests are performed with various influencing parameters in an effort to seek the optimal condition to effectively increase expansion pressure at the same temperature. Then, calibrated expansion pressure is estimated, and compared to each model. After analyzing test results for expansion pressure, it is verified that vermiculite expanded by heat can provide enough internal pressure to break hard rock during tunneling work.

Rigorous modal analysis of plasmonic nanoresonators

NASA Astrophysics Data System (ADS)

Yan, Wei; Faggiani, Rémi; Lalanne, Philippe

2018-05-01

The specificity of modal-expansion formalisms is their capabilities to model the physical properties in the natural resonance-state basis of the system in question, leading to a transparent interpretation of the numerical results. In electromagnetism, modal-expansion formalisms are routinely used for optical waveguides. In contrast, they are much less mature for analyzing open non-Hermitian systems, such as micro- and nanoresonators. Here, by accounting for material dispersion with auxiliary fields, we considerably extend the capabilities of these formalisms, in terms of computational effectiveness, number of states handled, and range of validity. We implement an efficient finite-element solver to compute the resonance states, and derive closed-form expressions of the modal excitation coefficients for reconstructing the scattered fields. Together, these two achievements allow us to perform rigorous modal analysis of complicated plasmonic resonators, being not limited to a few resonance states, with straightforward physical interpretations and remarkable computation speeds. We particularly show that, when the number of states retained in the expansion increases, convergence toward accurate predictions is achieved, offering a solid theoretical foundation for analyzing important issues, e.g., Fano interference, quenching, and coupling with the continuum, which are critical in nanophotonic research.

A Sommerfeld toolbox for colored dark sectors

NASA Astrophysics Data System (ADS)

El Hedri, Sonia; Kaminska, Anna; de Vries, Maikel

2017-09-01

We present analytical formulas for the Sommerfeld corrections to the annihilation of massive colored particles into quarks and gluons through the strong interaction. These corrections are essential to accurately compute the dark matter relic density for coannihilation with colored partners. Our formulas allow us to compute the Sommerfeld effect, not only for the lowest term in the angular momentum expansion of the amplitude, but for all orders in the partial wave expansion. In particular, we carefully account for the effects of the spin of the annihilating particle on the symmetry of the two-particle wave function. This work focuses on strongly interacting particles of arbitrary spin in the triplet, sextet and octet color representations. For typical velocities during freeze-out, we find that including Sommerfeld corrections on the next-to-leading order partial wave leads to modifications of up to 10 to 20 percent on the total annihilation cross section. Complementary to QCD, we generalize our results to particles charged under an arbitrary unbroken SU( N) gauge group, as encountered in dark glueball models. In connection with this paper a Mathematica notebook is provided to compute the Sommerfeld corrections for colored particles up to arbitrary order in the angular momentum expansion.

Nonlinear oscillator with power-form elastic-term: Fourier series expansion of the exact solution

NASA Astrophysics Data System (ADS)

Beléndez, Augusto; Francés, Jorge; Beléndez, Tarsicio; Bleda, Sergio; Pascual, Carolina; Arribas, Enrique

2015-05-01

A family of conservative, truly nonlinear, oscillators with integer or non-integer order nonlinearity is considered. These oscillators have only one odd power-form elastic-term and exact expressions for their period and solution were found in terms of Gamma functions and a cosine-Ateb function, respectively. Only for a few values of the order of nonlinearity, is it possible to obtain the periodic solution in terms of more common functions. However, for this family of conservative truly nonlinear oscillators we show in this paper that it is possible to obtain the Fourier series expansion of the exact solution, even though this exact solution is unknown. The coefficients of the Fourier series expansion of the exact solution are obtained as an integral expression in which a regularized incomplete Beta function appears. These coefficients are a function of the order of nonlinearity only and are computed numerically. One application of this technique is to compare the amplitudes for the different harmonics of the solution obtained using approximate methods with the exact ones computed numerically as shown in this paper. As an example, the approximate amplitudes obtained via a modified Ritz method are compared with the exact ones computed numerically.

A nonlinear optimal control approach to stabilization of a macroeconomic development model

NASA Astrophysics Data System (ADS)

Rigatos, G.; Siano, P.; Ghosh, T.; Sarno, D.

2017-11-01

A nonlinear optimal (H-infinity) control approach is proposed for the problem of stabilization of the dynamics of a macroeconomic development model that is known as the Grossman-Helpman model of endogenous product cycles. The dynamics of the macroeconomic development model is divided in two parts. The first one describes economic activities in a developed country and the second part describes variation of economic activities in a country under development which tries to modify its production so as to serve the needs of the developed country. The article shows that through control of the macroeconomic model of the developed country, one can finally control the dynamics of the economy in the country under development. The control method through which this is achieved is the nonlinear H-infinity control. The macroeconomic model for the country under development undergoes approximate linearization round a temporary operating point. This is defined at each time instant by the present value of the system's state vector and the last value of the control input vector that was exerted on it. The linearization is based on Taylor series expansion and the computation of the associated Jacobian matrices. For the linearized model an H-infinity feedback controller is computed. The controller's gain is calculated by solving an algebraic Riccati equation at each iteration of the control method. The asymptotic stability of the control approach is proven through Lyapunov analysis. This assures that the state variables of the macroeconomic model of the country under development will finally converge to the designated reference values.

Optimizing the ionization and energy absorption of laser-irradiated clusters

NASA Astrophysics Data System (ADS)

Kundu, M.; Bauer, D.

2008-03-01

It is known that rare-gas or metal clusters absorb incident laser energy very efficiently. However, due to the intricate dependencies on all the laser and cluster parameters, it is difficult to predict under which circumstances ionization and energy absorption are optimal. With the help of three-dimensional particle-in-cell simulations of xenon clusters (up to 17256 atoms), it is shown that for a given laser pulse energy and cluster, an optimum wavelength exists that corresponds to the approximate wavelength of the transient, linear Mie-resonance of the ionizing cluster at an early stage of negligible expansion. In a single ultrashort laser pulse, the linear resonance at this optimum wavelength yields much higher absorption efficiency than in the conventional, dual-pulse pump-probe setup of linear resonance during cluster expansion.

Optimization of a centrifugal compressor impeller using CFD: the choice of simulation model parameters

NASA Astrophysics Data System (ADS)

Neverov, V. V.; Kozhukhov, Y. V.; Yablokov, A. M.; Lebedev, A. A.

2017-08-01

Nowadays the optimization using computational fluid dynamics (CFD) plays an important role in the design process of turbomachines. However, for the successful and productive optimization it is necessary to define a simulation model correctly and rationally. The article deals with the choice of a grid and computational domain parameters for optimization of centrifugal compressor impellers using computational fluid dynamics. Searching and applying optimal parameters of the grid model, the computational domain and solver settings allows engineers to carry out a high-accuracy modelling and to use computational capability effectively. The presented research was conducted using Numeca Fine/Turbo package with Spalart-Allmaras and Shear Stress Transport turbulence models. Two radial impellers was investigated: the high-pressure at ψT=0.71 and the low-pressure at ψT=0.43. The following parameters of the computational model were considered: the location of inlet and outlet boundaries, type of mesh topology, size of mesh and mesh parameter y+. Results of the investigation demonstrate that the choice of optimal parameters leads to the significant reduction of the computational time. Optimal parameters in comparison with non-optimal but visually similar parameters can reduce the calculation time up to 4 times. Besides, it is established that some parameters have a major impact on the result of modelling.

Copyright Protection for Computer Software: Is There a Need for More Protection?

ERIC Educational Resources Information Center

Ku, Linlin

Because the computer industry's expansion has been much faster than has the development of laws protecting computer software and since the practice of software piracy seems to be alive and well, the issue of whether existing laws can provide effective protection for software needs further discussion. Three bodies of law have been used to protect…

Education:=Coding+Aesthetics; Aesthetic Understanding, Computer Science Education, and Computational Thinking

ERIC Educational Resources Information Center

Good, Jonathon; Keenan, Sarah; Mishra, Punya

2016-01-01

The popular press is rife with examples of how students in the United States and around the globe are learning to program, make, and tinker. The Hour of Code, maker-education, and similar efforts are advocating that more students be exposed to principles found within computer science. We propose an expansion beyond simply teaching computational…

Computer algebra and operators

NASA Technical Reports Server (NTRS)

Fateman, Richard; Grossman, Robert

1989-01-01

The symbolic computation of operator expansions is discussed. Some of the capabilities that prove useful when performing computer algebra computations involving operators are considered. These capabilities may be broadly divided into three areas: the algebraic manipulation of expressions from the algebra generated by operators; the algebraic manipulation of the actions of the operators upon other mathematical objects; and the development of appropriate normal forms and simplification algorithms for operators and their actions. Brief descriptions are given of the computer algebra computations that arise when working with various operators and their actions.

Bring the "Real World" into the Classroom.

ERIC Educational Resources Information Center

Perkins, Joyce

1991-01-01

Discusses one teacher's methods for familiarizing vocational education students in a business computer applications class with computers. Describes a Christmas project in which the students became Santa's elves to elementary children in the telecommunications community. Describes the project's expansion into an overseas communications service…

BITNET: Past, Present, and Future.

ERIC Educational Resources Information Center

Oberst, Daniel J.; Smith, Sheldon B.

1986-01-01

Discusses history and development of the academic computer network BITNET, including BITNET Network Support Center's growth and services, and international expansion. Network users, reasons for growth, and future developments are reviewed. A BITNET applications sampler and listings of compatible computers and operating systems, sites, and…

Air Vehicle Integration and Technology Research (AVIATR). Delivery Order 0013: Nonlinear, Low-Order/Reduced-Order Modeling Applications and Demonstration

DTIC Science & Technology

2011-12-01

image) ................. 114 Figure 156 – Abaqus thermal model attempting to characterize the thermal profile seen in the test data...optimization process ... 118 Figure 159 – Thermal profile for optimized Abaqus thermal solution ....................................... 119 Figure 160 – LVDT...Coefficients of thermal expansion results ................................................................. 121 Table 12 – LVDT correlation results

The Development of Lightweight Commercial Vehicle Wheels Using Microalloying Steel

NASA Astrophysics Data System (ADS)

Lu, Hongzhou; Zhang, Lilong; Wang, Jiegong; Xuan, Zhaozhi; Liu, Xiandong; Guo, Aimin; Wang, Wenjun; Lu, Guimin

Lightweight wheels can reduce weight about 100kg for commercial vehicles, and it can save energy and reduce emission, what's more, it can enhance the profits for logistics companies. The development of lightweight commercial vehicle wheels is achieved by the development of new steel for rim, the process optimization of flash butt welding, and structure optimization by finite element methods. Niobium micro-alloying technology can improve hole expansion rate, weldability and fatigue performance of wheel steel, and based on Niobium micro-alloying technology, a special wheel steel has been studied whose microstructure are Ferrite and Bainite, with high formability and high fatigue performance, and stable mechanical properties. The content of Nb in this new steel is 0.025% and the hole expansion rate is ≥ 100%. At the same time, welding parameters including electric upsetting time, upset allowance, upsetting pressure and flash allowance are optimized, and by CAE analysis, an optimized structure has been attained. As a results, the weight of 22.5in×8.25in wheel is up to 31.5kg, which is most lightweight comparing the same size wheels. And its functions including bending fatigue performance and radial fatigue performance meet the application requirements of truck makers and logistics companies.

Formal expressions and corresponding expansions for the exact Kohn-Sham exchange potential

NASA Astrophysics Data System (ADS)

Bulat, Felipe A.; Levy, Mel

2009-11-01

Formal expressions and their corresponding expansions in terms of Kohn-Sham (KS) orbitals are deduced for the exchange potential vx(r) . After an alternative derivation of the basic optimized effective potential integrodifferential equations is given through a Hartree-Fock adiabatic connection perturbation theory, we present an exact infinite expansion for vx(r) that is particularly simple in structure. It contains the very same occupied-virtual quantities that appear in the well-known optimized effective potential integral equation, but in this new expression vx(r) is isolated on one side of the equation. An orbital-energy modified Slater potential is its leading term which gives encouraging numerical results. Along different lines, while the earlier Krieger-Li-Iafrate approximation truncates completely the necessary first-order perturbation orbitals, we observe that the improved localized Hartree-Fock (LHF) potential, or common energy denominator potential (CEDA), or effective local potential (ELP), incorporates the part of each first-order orbital that consists of the occupied KS orbitals. With this in mind, the exact correction to the LHF, CEDA, or ELP potential (they are all equivalent) is deduced and displayed in terms of the virtual portions of the first-order orbitals. We close by observing that the newly derived exact formal expressions and corresponding expansions apply as well for obtaining the correlation potential from an orbital-dependent correlation energy functional.

Influence of the nozzle angle on refrigeration performance of a gas wave refrigerator

NASA Astrophysics Data System (ADS)

Liu, P.; Zhu, Y.; Wang, H.; Zhu, C.; Zou, J.; Wu, J.; Hu, D.

2017-05-01

A gas wave refrigerator (GWR) is a novel refrigerating device that refrigerates a medium by shock waves and expansion waves generated by gas pressure energy. In a typical GWR, the injection energy losses between the nozzle and the expansion tube are essential factors which influence the refrigeration efficiency. In this study, numerical simulations are used to analyze the underlying mechanism of the injection energy losses. The results of simulations show that the vortex loss, mixing energy loss, and oblique shock wave reflection loss are the main factors contributing to the injection energy losses in the expansion tube. Furthermore, the jet angle of the gas is found to dominate the injection energy losses. Therefore, the optimum jet angle is theoretically calculated based on the velocity triangle method. The value of the optimum jet angle is found to be 4^{circ }, 8^{circ }, and 12^{circ } when the refrigeration efficiency is the first-order, second-order, and third-order maximum value over all working ranges of jet frequency, respectively. Finally, a series of experiments are conducted with the jet angle ranging from -4^{circ } to 12^{circ } at a constant expansion ratio. The results indicate the optimal jet angle obtained by the experiments is in good agreement with the calculated value. The isentropic refrigeration efficiency increased by about 4 % after the jet angle was optimized.

A unified, multifidelity quasi-newton optimization method with application to aero-structural designa

NASA Astrophysics Data System (ADS)

Bryson, Dean Edward

A model's level of fidelity may be defined as its accuracy in faithfully reproducing a quantity or behavior of interest of a real system. Increasing the fidelity of a model often goes hand in hand with increasing its cost in terms of time, money, or computing resources. The traditional aircraft design process relies upon low-fidelity models for expedience and resource savings. However, the reduced accuracy and reliability of low-fidelity tools often lead to the discovery of design defects or inadequacies late in the design process. These deficiencies result either in costly changes or the acceptance of a configuration that does not meet expectations. The unknown opportunity cost is the discovery of superior vehicles that leverage phenomena unknown to the designer and not illuminated by low-fidelity tools. Multifidelity methods attempt to blend the increased accuracy and reliability of high-fidelity models with the reduced cost of low-fidelity models. In building surrogate models, where mathematical expressions are used to cheaply approximate the behavior of costly data, low-fidelity models may be sampled extensively to resolve the underlying trend, while high-fidelity data are reserved to correct inaccuracies at key locations. Similarly, in design optimization a low-fidelity model may be queried many times in the search for new, better designs, with a high-fidelity model being exercised only once per iteration to evaluate the candidate design. In this dissertation, a new multifidelity, gradient-based optimization algorithm is proposed. It differs from the standard trust region approach in several ways, stemming from the new method maintaining an approximation of the inverse Hessian, that is the underlying curvature of the design problem. Whereas the typical trust region approach performs a full sub-optimization using the low-fidelity model at every iteration, the new technique finds a suitable descent direction and focuses the search along it, reducing the number of low-fidelity evaluations required. This narrowing of the search domain also alleviates the burden on the surrogate model corrections between the low- and high-fidelity data. Rather than requiring the surrogate to be accurate in a hyper-volume bounded by the trust region, the model needs only to be accurate along the forward-looking search direction. Maintaining the approximate inverse Hessian also allows the multifidelity algorithm to revert to high-fidelity optimization at any time. In contrast, the standard approach has no memory of the previously-computed high-fidelity data. The primary disadvantage of the proposed algorithm is that it may require modifications to the optimization software, whereas standard optimizers may be used as black-box drivers in the typical trust region method. A multifidelity, multidisciplinary simulation of aeroelastic vehicle performance is developed to demonstrate the optimization method. The numerical physics models include body-fitted Euler computational fluid dynamics; linear, panel aerodynamics; linear, finite-element computational structural mechanics; and reduced, modal structural bases. A central element of the multifidelity, multidisciplinary framework is a shared parametric, attributed geometric representation that ensures the analysis inputs are consistent between disciplines and fidelities. The attributed geometry also enables the transfer of data between disciplines. The new optimization algorithm, a standard trust region approach, and a single-fidelity quasi-Newton method are compared for a series of analytic test functions, using both polynomial chaos expansions and kriging to correct discrepancies between fidelity levels of data. In the aggregate, the new method requires fewer high-fidelity evaluations than the trust region approach in 51% of cases, and the same number of evaluations in 18%. The new approach also requires fewer low-fidelity evaluations, by up to an order of magnitude, in almost all cases. The efficacy of both multifidelity methods compared to single-fidelity optimization depends significantly on the behavior of the high-fidelity model and the quality of the low-fidelity approximation, though savings are realized in a large number of cases. The multifidelity algorithm is also compared to the single-fidelity quasi-Newton method for complex aeroelastic simulations. The vehicle design problem includes variables for planform shape, structural sizing, and cruise condition with constraints on trim and structural stresses. Considering the objective function reduction versus computational expenditure, the multifidelity process performs better in three of four cases in early iterations. However, the enforcement of a contracting trust region slows the multifidelity progress. Even so, leveraging the approximate inverse Hessian, the optimization can be seamlessly continued using high-fidelity data alone. Ultimately, the proposed new algorithm produced better designs in all four cases. Investigating the return on investment in terms of design improvement per computational hour confirms that the multifidelity advantage is greatest in early iterations, and managing the transition to high-fidelity optimization is critical.

Optimal Computing Budget Allocation for Particle Swarm Optimization in Stochastic Optimization.

PubMed

Zhang, Si; Xu, Jie; Lee, Loo Hay; Chew, Ek Peng; Wong, Wai Peng; Chen, Chun-Hung

2017-04-01

Particle Swarm Optimization (PSO) is a popular metaheuristic for deterministic optimization. Originated in the interpretations of the movement of individuals in a bird flock or fish school, PSO introduces the concept of personal best and global best to simulate the pattern of searching for food by flocking and successfully translate the natural phenomena to the optimization of complex functions. Many real-life applications of PSO cope with stochastic problems. To solve a stochastic problem using PSO, a straightforward approach is to equally allocate computational effort among all particles and obtain the same number of samples of fitness values. This is not an efficient use of computational budget and leaves considerable room for improvement. This paper proposes a seamless integration of the concept of optimal computing budget allocation (OCBA) into PSO to improve the computational efficiency of PSO for stochastic optimization problems. We derive an asymptotically optimal allocation rule to intelligently determine the number of samples for all particles such that the PSO algorithm can efficiently select the personal best and global best when there is stochastic estimation noise in fitness values. We also propose an easy-to-implement sequential procedure. Numerical tests show that our new approach can obtain much better results using the same amount of computational effort.

Optimal Computing Budget Allocation for Particle Swarm Optimization in Stochastic Optimization

PubMed Central

Zhang, Si; Xu, Jie; Lee, Loo Hay; Chew, Ek Peng; Chen, Chun-Hung

2017-01-01

Particle Swarm Optimization (PSO) is a popular metaheuristic for deterministic optimization. Originated in the interpretations of the movement of individuals in a bird flock or fish school, PSO introduces the concept of personal best and global best to simulate the pattern of searching for food by flocking and successfully translate the natural phenomena to the optimization of complex functions. Many real-life applications of PSO cope with stochastic problems. To solve a stochastic problem using PSO, a straightforward approach is to equally allocate computational effort among all particles and obtain the same number of samples of fitness values. This is not an efficient use of computational budget and leaves considerable room for improvement. This paper proposes a seamless integration of the concept of optimal computing budget allocation (OCBA) into PSO to improve the computational efficiency of PSO for stochastic optimization problems. We derive an asymptotically optimal allocation rule to intelligently determine the number of samples for all particles such that the PSO algorithm can efficiently select the personal best and global best when there is stochastic estimation noise in fitness values. We also propose an easy-to-implement sequential procedure. Numerical tests show that our new approach can obtain much better results using the same amount of computational effort. PMID:29170617

On the distribution of a product of N Gaussian random variables

NASA Astrophysics Data System (ADS)

Stojanac, Željka; Suess, Daniel; Kliesch, Martin

2017-08-01

The product of Gaussian random variables appears naturally in many applications in probability theory and statistics. It has been known that the distribution of a product of N such variables can be expressed in terms of a Meijer G-function. Here, we compute a similar representation for the corresponding cumulative distribution function (CDF) and provide a power-log series expansion of the CDF based on the theory of the more general Fox H-functions. Numerical computations show that for small values of the argument the CDF of products of Gaussians is well approximated by the lowest orders of this expansion. Analogous results are also shown for the absolute value as well as the square of such products of N Gaussian random variables. For the latter two settings, we also compute the moment generating functions in terms of Meijer G-functions.

Simple optimized Brenner potential for thermodynamic properties of diamond

NASA Astrophysics Data System (ADS)

Liu, F.; Tang, Q. H.; Shang, B. S.; Wang, T. C.

2012-02-01

We have examined the commonly used Brenner potentials in the context of the thermodynamic properties of diamond. A simple optimized Brenner potential is proposed that provides very good predictions of the thermodynamic properties of diamond. It is shown that, compared to the experimental data, the lattice wave theory of molecular dynamics (LWT) with this optimized Brenner potential can accurately predict the temperature dependence of specific heat, lattice constant, Grüneisen parameters and coefficient of thermal expansion (CTE) of diamond.

Cone beam computed tomography analysis of dentoalveolar changes immediately after maxillary expansion

PubMed Central

Domann, Carin Elizabeth; Kau, Chung How; English, Jeryl D.; Xia, James J.; Souccar, Nada M.; Lee, Robert P.

2015-01-01

Aim Rapid maxillary expansion (RME) splits the midpalatal suture to correct maxillary transverse discrepancies and increase the arch perimeter. The goal of this paper is to evaluate the immediate effects of RME with Hyrax appliances on the dentoalveolar complex using cone beam computed tomography (CBCT). Methods Twenty-eight patients (19 females and 9 males) requiring maxillary expansion therapy were included (mean age, 14.1 years; range, 13 to 20 years). CBCT images were taken at T1 (before maxillary expansion) and T2 (immediately after expansion) as part of clinical records. Maxillary arch width, posterior segment angulation, and buccal bone thickness at the level of the first premolar and first molar were evaluated. Paired t tests determined statistical significance (P < .05). Results The mean ± SD amount of expansion achieved was 4.7788 ± 2.8474 mm for the maxillary premolars and 4.6943 ± 3.2198 mm for the molars. Significant tipping of the palatal roots of the maxillary right and left premolars as well as that for the maxillary left molar was observed. When present, the thickness of the buccal plate decreased on all observed roots. Conclusion There is a significant increase in interpremolar and intermolar distance with RME. The increase in root angulation suggests that the movement is more tipping than translation. The thickness of the buccal plate decreases immediately after RME. Therefore, the level of inflammation should be closely monitored to avoid periodontal destruction. There is a need to define standardized reference planes and comparable methodology to achieve compatible results among studies. PMID:22022691

Artifacts Introduced in the Point Evaluation of Functions Expanded into a Degree 360 Spherical Harmonic Series

NASA Technical Reports Server (NTRS)

Rapp, R.

1999-01-01

An expansion of a function initially given in 1deg cells was carried out to degree 360 by using 30'cells whose value was initially assigned to be the value of the 1deg cell in which it fell. The evaluation of point values of the function from the degree 360 expansion revealed spurious patterns attributed to the coefficients from degree 181 to 360. Expansion of the original function in 1deg cells to degree 180 showed no problems in the point evaluation. Mean 1deg values computed from both degree 180 to 360 expansions showed close agreement with the original function. The artifacts could be removed if the 30' values were interpolated by spline procedures from adjacent I' cells. These results led to an examination of the gravity anomalies and geoid undulations from EGM96 in areas where I' values were "split up" to form 30'cells. The area considered was 75degS to 85degS, 100degE to 120degE where the split up cells were basically south of 81 degS. A small, latitude related, and possibly spurious effect might be detectable in anomaly variations in the region. These results suggest that point values of a function computed from a high degree expansion may have spurious signals unless the cell size is compatible with the maximum degree of expansion. The spurious signals could be eliminated by using a spline interpolation procedure to obtain the 30'values from the 1deg values.

Spot sign on 90-second delayed computed tomography angiography improves sensitivity for hematoma expansion and mortality: prospective study.

PubMed

Ciura, Viesha A; Brouwers, H Bart; Pizzolato, Raffaella; Ortiz, Claudia J; Rosand, Jonathan; Goldstein, Joshua N; Greenberg, Steven M; Pomerantz, Stuart R; Gonzalez, R Gilberto; Romero, Javier M

2014-11-01

The computed tomography angiography (CTA) spot sign is a validated biomarker for poor outcome and hematoma expansion in intracerebral hemorrhage. The spot sign has proven to be a dynamic entity, with multimodal imaging proving to be of additional value. We investigated whether the addition of a 90-second delayed CTA acquisition would capture additional intracerebral hemorrhage patients with the spot sign and increase the sensitivity of the spot sign. We prospectively enrolled consecutive intracerebral hemorrhage patients undergoing first pass and 90-second delayed CTA for 18 months at a single academic center. Univariate and multivariate logistic regression were performed to assess clinical and neuroimaging covariates for relationship with hematoma expansion and mortality. Sensitivity of the spot sign for hematoma expansion on first pass CTA was 55%, which increased to 64% if the spot sign was present on either CTA acquisition. In multivariate analysis the spot sign presence was associated with significant hematoma expansion: odds ratio, 17.7 (95% confidence interval, 3.7-84.2; P=0.0004), 8.3 (95% confidence interval, 2.0-33.4; P=0.004), and 12.0 (95% confidence interval, 2.9-50.5; P=0.0008) if present on first pass, delayed, or either CTA acquisition, respectively. Spot sign presence on either acquisitions was also significant for mortality. We demonstrate improved sensitivity for predicting hematoma expansion and poor outcome by adding a 90-second delayed CTA, which may enhance selection of patients who may benefit from hemostatic therapy. © 2014 American Heart Association, Inc.

The effect of statistical noise on IMRT plan quality and convergence for MC-based and MC-correction-based optimized treatment plans.

PubMed

Siebers, Jeffrey V

2008-04-04

Monte Carlo (MC) is rarely used for IMRT plan optimization outside of research centres due to the extensive computational resources or long computation times required to complete the process. Time can be reduced by degrading the statistical precision of the MC dose calculation used within the optimization loop. However, this eventually introduces optimization convergence errors (OCEs). This study determines the statistical noise levels tolerated during MC-IMRT optimization under the condition that the optimized plan has OCEs <100 cGy (1.5% of the prescription dose) for MC-optimized IMRT treatment plans.Seven-field prostate IMRT treatment plans for 10 prostate patients are used in this study. Pre-optimization is performed for deliverable beams with a pencil-beam (PB) dose algorithm. Further deliverable-based optimization proceeds using: (1) MC-based optimization, where dose is recomputed with MC after each intensity update or (2) a once-corrected (OC) MC-hybrid optimization, where a MC dose computation defines beam-by-beam dose correction matrices that are used during a PB-based optimization. Optimizations are performed with nominal per beam MC statistical precisions of 2, 5, 8, 10, 15, and 20%. Following optimizer convergence, beams are re-computed with MC using 2% per beam nominal statistical precision and the 2 PTV and 10 OAR dose indices used in the optimization objective function are tallied. For both the MC-optimization and OC-optimization methods, statistical equivalence tests found that OCEs are less than 1.5% of the prescription dose for plans optimized with nominal statistical uncertainties of up to 10% per beam. The achieved statistical uncertainty in the patient for the 10% per beam simulations from the combination of the 7 beams is ~3% with respect to maximum dose for voxels with D>0.5D(max). The MC dose computation time for the OC-optimization is only 6.2 minutes on a single 3 Ghz processor with results clinically equivalent to high precision MC computations.

Fog computing job scheduling optimization based on bees swarm

NASA Astrophysics Data System (ADS)

Bitam, Salim; Zeadally, Sherali; Mellouk, Abdelhamid

2018-04-01

Fog computing is a new computing architecture, composed of a set of near-user edge devices called fog nodes, which collaborate together in order to perform computational services such as running applications, storing an important amount of data, and transmitting messages. Fog computing extends cloud computing by deploying digital resources at the premise of mobile users. In this new paradigm, management and operating functions, such as job scheduling aim at providing high-performance, cost-effective services requested by mobile users and executed by fog nodes. We propose a new bio-inspired optimization approach called Bees Life Algorithm (BLA) aimed at addressing the job scheduling problem in the fog computing environment. Our proposed approach is based on the optimized distribution of a set of tasks among all the fog computing nodes. The objective is to find an optimal tradeoff between CPU execution time and allocated memory required by fog computing services established by mobile users. Our empirical performance evaluation results demonstrate that the proposal outperforms the traditional particle swarm optimization and genetic algorithm in terms of CPU execution time and allocated memory.

Following Surgically Assisted Rapid Palatal Expansion, Do Tooth-Borne or Bone-Borne Appliances Provide More Skeletal Expansion and Dental Expansion?

PubMed

Hamedi-Sangsari, Adrien; Chinipardaz, Zahra; Carrasco, Lee

2017-10-01

The aim of this study was to compare outcome measurements of skeletal and dental expansion with bone-borne (BB) versus tooth-borne (TB) appliances after surgically assisted rapid palatal expansion (SARPE). This study was performed to provide quantitative measurements that will help the oral surgeon and orthodontist in selecting the appliance with, on average, the greatest amount of skeletal expansion and the least amount of dental expansion. A computerized database search was performed using PubMed, EBSCO, Cochrane, Scopus, Web of Science, and Google Scholar on publications in reputable oral surgery and orthodontic journals. A systematic review and meta-analysis was completed with the predictor variable of expansion appliance (TB vs BB) and outcome measurement of expansion (in millimeters). Of 487 articles retrieved from the 6 databases, 5 articles were included, 4 with cone-beam computed tomographic (CBCT) data and 1 with non-CBCT 3-dimensional cast data. There was a significant difference in skeletal expansion (standardized mean difference [SMD], 0.92; 95% confidence interval [CI], 0.54-1.30; P < .001) in favor of BB rather than TB appliances. However, there was no significant difference in dental expansion (SMD, 0.05; 95% CI, -0.24 to 0.34; P = .03). According to the literature, to achieve more effective skeletal expansion and minimize dental expansion after SARPE, a BB appliance should be favored. Copyright © 2017 American Association of Oral and Maxillofacial Surgeons. Published by Elsevier Inc. All rights reserved.

An efficient implementation of 3D high-resolution imaging for large-scale seismic data with GPU/CPU heterogeneous parallel computing

NASA Astrophysics Data System (ADS)

Xu, Jincheng; Liu, Wei; Wang, Jin; Liu, Linong; Zhang, Jianfeng

2018-02-01

De-absorption pre-stack time migration (QPSTM) compensates for the absorption and dispersion of seismic waves by introducing an effective Q parameter, thereby making it an effective tool for 3D, high-resolution imaging of seismic data. Although the optimal aperture obtained via stationary-phase migration reduces the computational cost of 3D QPSTM and yields 3D stationary-phase QPSTM, the associated computational efficiency is still the main problem in the processing of 3D, high-resolution images for real large-scale seismic data. In the current paper, we proposed a division method for large-scale, 3D seismic data to optimize the performance of stationary-phase QPSTM on clusters of graphics processing units (GPU). Then, we designed an imaging point parallel strategy to achieve an optimal parallel computing performance. Afterward, we adopted an asynchronous double buffering scheme for multi-stream to perform the GPU/CPU parallel computing. Moreover, several key optimization strategies of computation and storage based on the compute unified device architecture (CUDA) were adopted to accelerate the 3D stationary-phase QPSTM algorithm. Compared with the initial GPU code, the implementation of the key optimization steps, including thread optimization, shared memory optimization, register optimization and special function units (SFU), greatly improved the efficiency. A numerical example employing real large-scale, 3D seismic data showed that our scheme is nearly 80 times faster than the CPU-QPSTM algorithm. Our GPU/CPU heterogeneous parallel computing framework significant reduces the computational cost and facilitates 3D high-resolution imaging for large-scale seismic data.

Do Intracerebral Hemorrhage Nonexpanders Actually Expand Into the Ventricular Space?

PubMed

Dowlatshahi, Dar; Deshpande, Anirudda; Aviv, Richard I; Rodriguez-Luna, David; Molina, Carlos A; Blas, Yolanda Silva; Dzialowski, Imanuel; Kobayashi, Adam; Boulanger, Jean-Martin; Lum, Cheemun; Gubitz, Gordon J; Padma, Vasantha; Roy, Jayanta; Kase, Carlos S; Bhatia, Rohit; Hill, Michael D; Demchuk, Andrew M

2018-01-01

The computed tomographic angiography spot sign as a predictor of hematoma expansion is limited by its modest sensitivity and positive predictive value. It is possible that hematoma expansion in spot-positive patients is missed because of decompression of intracerebral hemorrhage (ICH) into the ventricular space. We hypothesized that revising hematoma expansion definitions to include intraventricular hemorrhage (IVH) expansion will improve the predictive performance of the spot sign. Our objectives were to determine the proportion of ICH nonexpanders who actually have IVH expansion, determine the proportion of false-positive spot signs that have IVH expansion, and compare the known predictive performance of the spot sign to a revised definition incorporating IVH expansion. We analyzed patients from the multicenter PREDICT ICH spot sign study. We defined hematoma expansion as ≥6 mL or ≥33% ICH expansion or >2 mL IVH expansion and compared spot sign performance using this revised definition with the conventional 6 mL/33% definition using receiver operating curve analysis. Of 311 patients, 213 did not meet the 6-mL/33% expansion definition (nonexpanders). Only 13 of 213 (6.1%) nonexpanders had ≥2 mL IVH expansion. Of the false-positive spot signs, 4 of 40 (10%) had >2 mL ventricular expansion. The area under the curve for spot sign to predict significant ICH expansion was 0.65 (95% confidence interval, 0.58-0.72), which was no different than when IVH expansion was added to the definition (area under the curve, 0.66; 95% confidence interval, 0.58-0.71). Although IVH expansion does indeed occur in a minority of ICH nonexpanders, its inclusion into a revised hematoma expansion definition does not alter the predictive performance of the spot sign. © 2017 American Heart Association, Inc.

Performance of low-rank QR approximation of the finite element Biot-Savart law

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

White, D; Fasenfest, B

2006-10-16

In this paper we present a low-rank QR method for evaluating the discrete Biot-Savart law. Our goal is to develop an algorithm that is easily implemented on parallel computers. It is assumed that the known current density and the unknown magnetic field are both expressed in a finite element expansion, and we wish to compute the degrees-of-freedom (DOF) in the basis function expansion of the magnetic field. The matrix that maps the current DOF to the field DOF is full, but if the spatial domain is properly partitioned the matrix can be written as a block matrix, with blocks representingmore » distant interactions being low rank and having a compressed QR representation. While an octree partitioning of the matrix may be ideal, for ease of parallel implementation we employ a partitioning based on number of processors. The rank of each block (i.e. the compression) is determined by the specific geometry and is computed dynamically. In this paper we provide the algorithmic details and present computational results for large-scale computations.« less

Multi-agent simulation of generation expansion in electricity markets.

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

Botterud, A; Mahalik, M. R.; Veselka, T. D.

2007-06-01

We present a new multi-agent model of generation expansion in electricity markets. The model simulates generation investment decisions of decentralized generating companies (GenCos) interacting in a complex, multidimensional environment. A probabilistic dispatch algorithm calculates prices and profits for new candidate units in different future states of the system. Uncertainties in future load, hydropower conditions, and competitors actions are represented in a scenario tree, and decision analysis is used to identify the optimal expansion decision for each individual GenCo. We test the model using real data for the Korea power system under different assumptions about market design, market concentration, and GenCo'smore » assumed expectations about their competitors investment decisions.« less

Heuristic and optimal policy computations in the human brain during sequential decision-making.

PubMed

Korn, Christoph W; Bach, Dominik R

2018-01-23

Optimal decisions across extended time horizons require value calculations over multiple probabilistic future states. Humans may circumvent such complex computations by resorting to easy-to-compute heuristics that approximate optimal solutions. To probe the potential interplay between heuristic and optimal computations, we develop a novel sequential decision-making task, framed as virtual foraging in which participants have to avoid virtual starvation. Rewards depend only on final outcomes over five-trial blocks, necessitating planning over five sequential decisions and probabilistic outcomes. Here, we report model comparisons demonstrating that participants primarily rely on the best available heuristic but also use the normatively optimal policy. FMRI signals in medial prefrontal cortex (MPFC) relate to heuristic and optimal policies and associated choice uncertainties. Crucially, reaction times and dorsal MPFC activity scale with discrepancies between heuristic and optimal policies. Thus, sequential decision-making in humans may emerge from integration between heuristic and optimal policies, implemented by controllers in MPFC.

Computation in Dynamically Bounded Asymmetric Systems

PubMed Central

Rutishauser, Ueli; Slotine, Jean-Jacques; Douglas, Rodney

2015-01-01

Previous explanations of computations performed by recurrent networks have focused on symmetrically connected saturating neurons and their convergence toward attractors. Here we analyze the behavior of asymmetrical connected networks of linear threshold neurons, whose positive response is unbounded. We show that, for a wide range of parameters, this asymmetry brings interesting and computationally useful dynamical properties. When driven by input, the network explores potential solutions through highly unstable ‘expansion’ dynamics. This expansion is steered and constrained by negative divergence of the dynamics, which ensures that the dimensionality of the solution space continues to reduce until an acceptable solution manifold is reached. Then the system contracts stably on this manifold towards its final solution trajectory. The unstable positive feedback and cross inhibition that underlie expansion and divergence are common motifs in molecular and neuronal networks. Therefore we propose that very simple organizational constraints that combine these motifs can lead to spontaneous computation and so to the spontaneous modification of entropy that is characteristic of living systems. PMID:25617645

A shock wave capability for the improved Two-Dimensional Kinetics (TDK) computer program

NASA Technical Reports Server (NTRS)

Nickerson, G. R.; Dang, L. D.

1984-01-01

The Two Dimensional Kinetics (TDK) computer program is a primary tool in applying the JANNAF liquid rocket engine performance prediction procedures. The purpose of this contract has been to improve the TDK computer program so that it can be applied to rocket engine designs of advanced type. In particular, future orbit transfer vehicles (OTV) will require rocket engines that operate at high expansion ratio, i.e., in excess of 200:1. Because only a limited length is available in the space shuttle bay, it is possible that OTV nozzles will be designed with both relatively short length and high expansion ratio. In this case, a shock wave may be present in the flow. The TDK computer program was modified to include the simulation of shock waves in the supersonic nozzle flow field. The shocks induced by the wall contour can produce strong perturbations of the flow, affecting downstream conditions which need to be considered for thrust chamber performance calculations.

Interphase layer optimization for metal matrix composites with fabrication considerations

NASA Technical Reports Server (NTRS)

Morel, M.; Saravanos, D. A.; Chamis, C. C.

1991-01-01

A methodology is presented to reduce the final matrix microstresses for metal matrix composites by concurrently optimizing the interphase characteristics and fabrication process. Application cases include interphase tailoring with and without fabrication considerations for two material systems, graphite/copper and silicon carbide/titanium. Results indicate that concurrent interphase/fabrication optimization produces significant reductions in the matrix residual stresses and strong coupling between interphase and fabrication tailoring. The interphase coefficient of thermal expansion and the fabrication consolidation pressure are the most important design parameters and must be concurrently optimized to further reduce the microstresses to more desirable magnitudes.

Estimation of regional lung expansion via 3D image registration

NASA Astrophysics Data System (ADS)

Pan, Yan; Kumar, Dinesh; Hoffman, Eric A.; Christensen, Gary E.; McLennan, Geoffrey; Song, Joo Hyun; Ross, Alan; Simon, Brett A.; Reinhardt, Joseph M.

2005-04-01

A method is described to estimate regional lung expansion and related biomechanical parameters using multiple CT images of the lungs, acquired at different inflation levels. In this study, the lungs of two sheep were imaged utilizing a multi-detector row CT at different lung inflations in the prone and supine positions. Using the lung surfaces and the airway branch points for guidance, a 3D inverse consistent image registration procedure was used to match different lung volumes at each orientation. The registration was validated using a set of implanted metal markers. After registration, the Jacobian of the deformation field was computed to express regional expansion or contraction. The regional lung expansion at different pressures and different orientations are compared.

Uncertainty propagation of p-boxes using sparse polynomial chaos expansions

NASA Astrophysics Data System (ADS)

Schöbi, Roland; Sudret, Bruno

2017-06-01

In modern engineering, physical processes are modelled and analysed using advanced computer simulations, such as finite element models. Furthermore, concepts of reliability analysis and robust design are becoming popular, hence, making efficient quantification and propagation of uncertainties an important aspect. In this context, a typical workflow includes the characterization of the uncertainty in the input variables. In this paper, input variables are modelled by probability-boxes (p-boxes), accounting for both aleatory and epistemic uncertainty. The propagation of p-boxes leads to p-boxes of the output of the computational model. A two-level meta-modelling approach is proposed using non-intrusive sparse polynomial chaos expansions to surrogate the exact computational model and, hence, to facilitate the uncertainty quantification analysis. The capabilities of the proposed approach are illustrated through applications using a benchmark analytical function and two realistic engineering problem settings. They show that the proposed two-level approach allows for an accurate estimation of the statistics of the response quantity of interest using a small number of evaluations of the exact computational model. This is crucial in cases where the computational costs are dominated by the runs of high-fidelity computational models.

Uncertainty propagation of p-boxes using sparse polynomial chaos expansions

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

Schöbi, Roland, E-mail: schoebi@ibk.baug.ethz.ch; Sudret, Bruno, E-mail: sudret@ibk.baug.ethz.ch

2017-06-15

In modern engineering, physical processes are modelled and analysed using advanced computer simulations, such as finite element models. Furthermore, concepts of reliability analysis and robust design are becoming popular, hence, making efficient quantification and propagation of uncertainties an important aspect. In this context, a typical workflow includes the characterization of the uncertainty in the input variables. In this paper, input variables are modelled by probability-boxes (p-boxes), accounting for both aleatory and epistemic uncertainty. The propagation of p-boxes leads to p-boxes of the output of the computational model. A two-level meta-modelling approach is proposed using non-intrusive sparse polynomial chaos expansions tomore » surrogate the exact computational model and, hence, to facilitate the uncertainty quantification analysis. The capabilities of the proposed approach are illustrated through applications using a benchmark analytical function and two realistic engineering problem settings. They show that the proposed two-level approach allows for an accurate estimation of the statistics of the response quantity of interest using a small number of evaluations of the exact computational model. This is crucial in cases where the computational costs are dominated by the runs of high-fidelity computational models.« less

Linear dependence of surface expansion speed on initial plasma temperature in warm dense matter

DOE PAGES

Bang, Woosuk; Albright, Brian James; Bradley, Paul Andrew; ...

2016-07-12

Recent progress in laser-driven quasi-monoenergetic ion beams enabled the production of uniformly heated warm dense matter. Matter heated rapidly with this technique is under extreme temperatures and pressures, and promptly expands outward. While the expansion speed of an ideal plasma is known to have a square-root dependence on temperature, computer simulations presented here show a linear dependence of expansion speed on initial plasma temperature in the warm dense matter regime. The expansion of uniformly heated 1–100 eV solid density gold foils was modeled with the RAGE radiation-hydrodynamics code, and the average surface expansion speed was found to increase linearly withmore » temperature. The origin of this linear dependence is explained by comparing predictions from the SESAME equation-of-state tables with those from the ideal gas equation-of-state. In conclusion, these simulations offer useful insight into the expansion of warm dense matter and motivate the application of optical shadowgraphy for temperature measurement.« less

Rectangular rotation of spherical harmonic expansion of arbitrary high degree and order

NASA Astrophysics Data System (ADS)

Fukushima, Toshio

2017-08-01

In order to move the polar singularity of arbitrary spherical harmonic expansion to a point on the equator, we rotate the expansion around the y-axis by 90° such that the x-axis becomes a new pole. The expansion coefficients are transformed by multiplying a special value of Wigner D-matrix and a normalization factor. The transformation matrix is unchanged whether the coefficients are 4 π fully normalized or Schmidt quasi-normalized. The matrix is recursively computed by the so-called X-number formulation (Fukushima in J Geodesy 86: 271-285, 2012a). As an example, we obtained 2190× 2190 coefficients of the rectangular rotated spherical harmonic expansion of EGM2008. A proper combination of the original and the rotated expansions will be useful in (i) integrating the polar orbits of artificial satellites precisely and (ii) synthesizing/analyzing the gravitational/geomagnetic potentials and their derivatives accurately in the high latitude regions including the arctic and antarctic area.

Uncertainty Aware Structural Topology Optimization Via a Stochastic Reduced Order Model Approach

NASA Technical Reports Server (NTRS)

Aguilo, Miguel A.; Warner, James E.

2017-01-01

This work presents a stochastic reduced order modeling strategy for the quantification and propagation of uncertainties in topology optimization. Uncertainty aware optimization problems can be computationally complex due to the substantial number of model evaluations that are necessary to accurately quantify and propagate uncertainties. This computational complexity is greatly magnified if a high-fidelity, physics-based numerical model is used for the topology optimization calculations. Stochastic reduced order model (SROM) methods are applied here to effectively 1) alleviate the prohibitive computational cost associated with an uncertainty aware topology optimization problem; and 2) quantify and propagate the inherent uncertainties due to design imperfections. A generic SROM framework that transforms the uncertainty aware, stochastic topology optimization problem into a deterministic optimization problem that relies only on independent calls to a deterministic numerical model is presented. This approach facilitates the use of existing optimization and modeling tools to accurately solve the uncertainty aware topology optimization problems in a fraction of the computational demand required by Monte Carlo methods. Finally, an example in structural topology optimization is presented to demonstrate the effectiveness of the proposed uncertainty aware structural topology optimization approach.

Near-Optimal Guidance Method for Maximizing the Reachable Domain of Gliding Aircraft

NASA Astrophysics Data System (ADS)

Tsuchiya, Takeshi

This paper proposes a guidance method for gliding aircraft by using onboard computers to calculate a near-optimal trajectory in real-time, and thereby expanding the reachable domain. The results are applicable to advanced aircraft and future space transportation systems that require high safety. The calculation load of the optimal control problem that is used to maximize the reachable domain is too large for current computers to calculate in real-time. Thus the optimal control problem is divided into two problems: a gliding distance maximization problem in which the aircraft motion is limited to a vertical plane, and an optimal turning flight problem in a horizontal direction. First, the former problem is solved using a shooting method. It can be solved easily because its scale is smaller than that of the original problem, and because some of the features of the optimal solution are obtained in the first part of this paper. Next, in the latter problem, the optimal bank angle is computed from the solution of the former; this is an analytical computation, rather than an iterative computation. Finally, the reachable domain obtained from the proposed near-optimal guidance method is compared with that obtained from the original optimal control problem.

Simulation of Unsteady Hypersonic Combustion Around Projectiles in an Expansion Tube

NASA Technical Reports Server (NTRS)

Yungster, S.; Radhakrishnan, K.

1999-01-01

The temporal evolution of combustion flowfields established by the interaction between wedge-shaped bodies and explosive hydrogen-oxygen-nitrogen mixtures accelerated to hypersonic speeds in an expansion tube is investigated. The analysis is carried out using a fully implicit, time-accurate, computational fluid dynamics code that we developed recently for solving the Navier-Stokes equations for a chemically reacting gas mixture. The numerical results are compared with experimental data from the Stanford University expansion tube for two different gas mixtures at Mach numbers of 4.2 and 5.2. The experimental work showed that flow unstart occurred for the Mach 4.2 cases. These results are reproduced by our numerical simulations and, more significantly, the causes for unstart are explained. For the Mach 5.2 mixtures, the experiments and numerical simulations both produced stable combustion. However, the computations indicate that in one case the experimental data were obtained during the transient phase of the flow; that is, before steady state had been attained.

CT analysis of nasal volume changes after surgically-assisted rapid maxillary expansion.

PubMed

Tausche, Eve; Deeb, Wayel; Hansen, Lars; Hietschold, Volker; Harzer, Winfried; Schneider, Matthias

2009-07-01

Aim of this study was to detect the changes in nasal volume due to bone-borne, surgically-assisted rapid palatal expansion (RPE) with the Dresden Distractor using computed tomography (CT). 17 patients (mean age 28.8) underwent axial CT scanning before and 6 months after RPE. The nasal bone width was examined in the coronal plane. Cross-sectional images of the nasal cavity were taken of the area surrounding the piriform aperture, choanae and in between. Bony nasal volume was computed by connecting the three cross-sectional areas. All but two patients showed a 4.8% increase in nasal volume (SD 4.6%). The highest value, 33.3% (SD 45.1%), was measured anteriorly at the level of the nasal floor. This correlated with the midpalatal suture's V-shaped opening. There was no significant correlation between an increase in nasal volume and transverse dental arch expansion. As most of the air we breathe passes the lower nasal floor, an improvement in nasal breathing is likely.

Synthesis of Methylenebicyclo[3.2.1]octanol by a Sm(II)-Induced 1,2-Rearrangement Reaction with Ring Expansion of Methylenebicyclo[4.2.0]octanone.

PubMed

Takatori, Kazuhiko; Ota, Shoya; Tendo, Kenta; Matsunaga, Kazuma; Nagasawa, Kokoro; Watanabe, Shinya; Kishida, Atsushi; Kogen, Hiroshi; Nagaoka, Hiroto

2017-07-21

Direct conversion of methylenebicyclo[4.2.0]octanone to methylenebicyclo[3.2.1]octanol by a Sm(II)-induced 1,2-rearrangement with ring expansion of the methylenecyclobutane is described. Three conditions were optimized to allow the adaptation of this approach to various substrates. A rearrangement mechanism is proposed involving the generation of a ketyl radical and cyclopentanation by ketyl-olefin cyclization, followed by radical fragmentation and subsequent protonation.

Secret-key expansion from covert communication

NASA Astrophysics Data System (ADS)

Arrazola, Juan Miguel; Amiri, Ryan

2018-02-01

Covert communication allows the transmission of messages in such a way that it is not possible for adversaries to detect that the communication is occurring. This provides protection in situations where knowledge that two parties are talking to each other may be incriminating to them. In this work, we study how covert communication can be used for a different purpose: secret key expansion. First, we show that any message transmitted in a secure covert protocol is also secret and therefore unknown to an adversary. We then propose a covert communication protocol where the amount of key consumed in the protocol is smaller than the transmitted key, thus leading to secure secret key expansion. We derive precise conditions for secret key expansion to occur, showing that it is possible when there are sufficiently low levels of noise for a given security level. We conclude by examining how secret key expansion from covert communication can be performed in a computational security model.

Short interval expansion of Rényi entropy on torus

NASA Astrophysics Data System (ADS)

Chen, Bin; Wu, Jun-Bao; Zhang, Jia-ju

2016-08-01

We investigate the short interval expansion of the Rényi entropy for two-dimensional conformal field theory (CFT) on a torus. We require the length of the interval ℓ to be small with respect to the spatial and temporal sizes of the torus. The operator product expansion of the twist operators allows us to compute the short interval expansion of the Rényi entropy at any temperature. In particular, we pay special attention to the large c CFTs dual to the AdS3 gravity and its cousins. At both low and high temperature limits, we read the Rényi entropies to order ℓ6, and find good agreements with holographic results. Moreover, the expansion allows us to read 1 /c contribution, which is hard to get by expanding the thermal density matrix. We generalize the study to the case with the chemical potential as well.

Optimal design of a thermally stable composite optical bench

NASA Technical Reports Server (NTRS)

Gray, C. E., Jr.

1985-01-01

The Lidar Atmospheric Sensing Experiment will be performed aboard an ER-2 aircraft; the lidar system used will be mounted on a lightweight, thermally stable graphite/epoxy optical bench whose design is presently subjected to analytical study and experimental validation. Attention is given to analytical methods for the selection of such expected laminate properties as the thermal expansion coefficient, the apparent in-plane moduli, and ultimate strength. For a symmetric laminate in which one of the lamina angles remains variable, an optimal lamina angle is selected to produce a design laminate with a near-zero coefficient of thermal expansion. Finite elements are used to model the structural concept of the design, with a view to the optical bench's thermal structural response as well as the determination of the degree of success in meeting the experiment's alignment tolerances.

Serum-free media formulations are cell line-specific and require optimization for microcarrier culture.

PubMed

Tan, Kah Yong; Teo, Kim Leng; Lim, Jessica F Y; Chen, Allen K L; Choolani, Mahesh; Reuveny, Shaul; Chan, Jerry; Oh, Steve Kw

2015-08-01

Mesenchymal stromal cells (MSCs) are being investigated as potential cell therapies for many different indications. Current methods of production rely on traditional monolayer culture on tissue-culture plastic, usually with the use of serum-supplemented growth media. However, the monolayer culturing system has scale-up limitations and may not meet the projected hundreds of billions to trillions batches of cells needed for therapy. Furthermore, serum-free medium offers several advantages over serum-supplemented medium, which may have supply and contaminant issues, leading to many serum-free medium formulations being developed. We cultured seven MSC lines in six different serum-free media and compared their growth between monolayer and microcarrier culture. We show that (i) expansion levels of MSCs in serum-free monolayer cultures may not correlate with expansion in serum-containing media; (ii) optimal culture conditions (serum-free media for monolayer or microcarrier culture) differ for each cell line; (iii) growth in static microcarrier culture does not correlate with growth in stirred spinner culture; (iv) and that early cell attachment and spreading onto microcarriers does not necessarily predict efficiency of cell expansion in agitated microcarrier culture. Current serum-free media developed for monolayer cultures of MSCs may not support MSC proliferation in microcarrier cultures. Further optimization in medium composition will be required for microcarrier suspension culture for each cell line. Copyright © 2015 International Society for Cellular Therapy. Published by Elsevier Inc. All rights reserved.

Optimal control of greenhouse gas emissions and system cost for integrated municipal solid waste management with considering a hierarchical structure.

PubMed

Li, Jing; He, Li; Fan, Xing; Chen, Yizhong; Lu, Hongwei

2017-08-01

This study presents a synergic optimization of control for greenhouse gas (GHG) emissions and system cost in integrated municipal solid waste (MSW) management on a basis of bi-level programming. The bi-level programming is formulated by integrating minimizations of GHG emissions at the leader level and system cost at the follower level into a general MSW framework. Different from traditional single- or multi-objective approaches, the proposed bi-level programming is capable of not only addressing the tradeoffs but also dealing with the leader-follower relationship between different decision makers, who have dissimilar perspectives interests. GHG emission control is placed at the leader level could emphasize the significant environmental concern in MSW management. A bi-level decision-making process based on satisfactory degree is then suitable for solving highly nonlinear problems with computationally effectiveness. The capabilities and effectiveness of the proposed bi-level programming are illustrated by an application of a MSW management problem in Canada. Results show that the obtained optimal management strategy can bring considerable revenues, approximately from 76 to 97 million dollars. Considering control of GHG emissions, it would give priority to the development of the recycling facility throughout the whole period, especially in latter periods. In terms of capacity, the existing landfill is enough in the future 30 years without development of new landfills, while expansion to the composting and recycling facilities should be paid more attention.

Implementation and optimization of automated dispensing cabinet technology.

PubMed

McCarthy, Bryan C; Ferker, Michael

2016-10-01

A multifaceted automated dispensing cabinet (ADC) optimization initiative at a large hospital is described. The ADC optimization project, which was launched approximately six weeks after activation of ADCs in 30 patient care unit medication rooms of a newly established adult hospital, included (1) adjustment of par inventory levels (desired on-hand quantities of medications) and par reorder quantities to reduce the risk of ADC supply exhaustion and improve restocking efficiency, (2) expansion of ADC "common stock" (medications assigned to ADC inventories) to increase medication availability at the point of care, and (3) removal of some infrequently prescribed medications from ADCs to reduce the likelihood of product expiration. The purpose of the project was to address organizational concerns regarding widespread ADC medication stockouts, growing reliance on cart-fill medication delivery systems, and suboptimal medication order turnaround times. Leveraging of the ADC technology platform's reporting functionalities for enhanced inventory control yielded a number of benefits, including cost savings resulting from reduced pharmacy technician labor requirements (estimated at $2,728 annually), a substantial reduction in the overall weekly stockout percentage (from 3.2% before optimization to 0.5% eight months after optimization), an improvement in the average medication turnaround time, and estimated cost avoidance of $19,660 attributed to the reduced potential for product expiration. Efforts to optimize ADCs through par level optimization, expansion of common stock, and removal of infrequently used medications reduced pharmacy technician labor, decreased stockout percentages, generated opportunities for cost avoidance, and improved medication turnaround times. Copyright © 2016 by the American Society of Health-System Pharmacists, Inc. All rights reserved.

Effect of cobalt doping on the structural, magnetic and abnormal thermal expansion properties of NaZn13-type La(Fe1-xCox)11.4Al1.6 compounds.

PubMed

Zhao, Yuqiang; Huang, Rongjin; Li, Shaopeng; Wang, Wei; Jiang, Xingxing; Lin, Zheshuai; Li, Jiangtao; Li, Laifeng

2016-07-27

Cubic NaZn13-type La(Fe1-xCox)11.4Al1.6 compounds were synthesized and extensively explored through crystal structure and magnetization analyses. By optimizing the chemical composition, the isotropic abnormal properties of excellent zero and giant negative thermal expansion in a pure form were both found at different temperature ranges through room temperature. Moreover, the temperature regions with the remarkable abnormal thermal expansion (ATE) properties have been broadened which are controlled by the dM/dT. The present study demonstrates that the ATE behavior mainly depends on special structural and magnetic properties. These diverse properties suggest the high potential of La(Fe1-xCox)11.4Al1.6 for the development of abnormal expansion materials.

Multi-Agent simulation of generation capacity expansion decisions.

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

Botterud, A.; Mahalik, M.; Conzelmann, G.

2008-01-01

In this paper, we use a multi-agent simulation model, EMCAS, to analyze generation expansion in the Iberian electricity market. The expansion model simulates generation investment decisions of decentralized generating companies (GenCos) interacting in a complex, multidimensional environment. A probabilistic dispatch algorithm calculates prices and profits for new candidate units in different future states of the system. Uncertainties in future load, hydropower conditions, and competitorspsila actions are represented in a scenario tree, and decision analysis is used to identify the optimal expansion decision for each individual GenCo. We run the model using detailed data for the Iberian market. In a scenariomore » analysis, we look at the impact of market design variables, such as the energy price cap and carbon emission prices. We also analyze how market concentration and GenCospsila risk preferences influence the timing and choice of new generating capacity.« less

Performance of blend sign in predicting hematoma expansion in intracerebral hemorrhage: A meta-analysis.

PubMed

Yu, Zhiyuan; Zheng, Jun; Guo, Rui; Ma, Lu; Li, Mou; Wang, Xiaoze; Lin, Sen; Li, Hao; You, Chao

2017-12-01

Hematoma expansion is independently associated with poor outcome in intracerebral hemorrhage (ICH). Blend sign is a simple predictor for hematoma expansion on non-contrast computed tomography. However, its accuracy for predicting hematoma expansion is inconsistent in previous studies. This meta-analysis is aimed to systematically assess the performance of blend sign in predicting hematoma expansion in ICH. A systematic literature search was conducted. Original studies about predictive accuracy of blend sign for hematoma expansion in ICH were included. Pooled sensitivity, specificity, positive and negative likelihood ratios were calculated. Summary receiver operating characteristics curve was constructed. Publication bias was assessed by Deeks' funnel plot asymmetry test. A total of 5 studies with 2248 patients were included in this meta-analysis. The pooled sensitivity, specificity, positive and negative likelihood ratios of blend sign for predicting hematoma expansion were 0.28, 0.92, 3.4 and 0.78, respectively. The area under the curve (AUC) was 0.85. No significant publication bias was found. This meta-analysis demonstrates that blend sign is a useful predictor with high specificity for hematoma expansion in ICH. Further studies with larger sample size are still necessary to verify the accuracy of blend sign for predicting hematoma expansion. Copyright © 2017 Elsevier B.V. All rights reserved.

Optical emission and nanoparticle generation in Al plasmas using ultrashort laser pulses temporally optimized by real-time spectroscopic feedback

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

Guillermin, M.; Colombier, J. P.; Audouard, E.

2010-07-15

With an interest in pulsed laser deposition and remote spectroscopy techniques, we explore here the potential of laser pulses temporally tailored on ultrafast time scales to control the expansion and the excitation degree of various ablation products including atomic species and nanoparticulates. Taking advantage of automated pulse-shaping techniques, an adaptive procedure based on spectroscopic feedback is applied to regulate the irradiance and enhance the optical emission of monocharged aluminum ions with respect to the neutral signal. This leads to optimized pulses usually consisting in a series of femtosecond peaks distributed on a longer picosecond sequence. The ablation features induced bymore » the optimized pulse are compared with those determined by picosecond pulses generated by imposed second-order dispersion or by double pulse sequences with adjustable picosecond separation. This allows to analyze the influence of fast- and slow-varying envelope features on the material heating and the resulting plasma excitation degree. Using various optimal pulse forms including designed asymmetric shapes, we analyze the establishment of surface pre-excitation that enables conditions of enhanced radiation coupling. Thin films elaborated by unshaped femtosecond laser pulses and by optimized, stretched, or double pulse sequences are compared, indicating that the nanoparticles generation efficiency is strongly influenced by the temporal shaping of the laser irradiation. A thermodynamic scenario involving supercritical heating is proposed to explain enhanced ionization rates and lower particulates density for optimal pulses. Numerical one-dimensional hydrodynamic simulations for the excited matter support the interpretation of the experimental results in terms of relative efficiency of various relaxation paths for excited matter above or below the thermodynamic stability limits. The calculation results underline the role of the temperature and density gradients along the ablated plasma plume which lead to the spatial distinct locations of excited species. Moreover, the nanoparticles sizes are computed based on liquid layer ejection followed by a Rayleigh and Taylor instability decomposition, in good agreement with the experimental findings.« less

A Hierarchical Algorithm for Fast Debye Summation with Applications to Small Angle Scattering

PubMed Central

Gumerov, Nail A.; Berlin, Konstantin; Fushman, David; Duraiswami, Ramani

2012-01-01

Debye summation, which involves the summation of sinc functions of distances between all pair of atoms in three dimensional space, arises in computations performed in crystallography, small/wide angle X-ray scattering (SAXS/WAXS) and small angle neutron scattering (SANS). Direct evaluation of Debye summation has quadratic complexity, which results in computational bottleneck when determining crystal properties, or running structure refinement protocols that involve SAXS or SANS, even for moderately sized molecules. We present a fast approximation algorithm that efficiently computes the summation to any prescribed accuracy ε in linear time. The algorithm is similar to the fast multipole method (FMM), and is based on a hierarchical spatial decomposition of the molecule coupled with local harmonic expansions and translation of these expansions. An even more efficient implementation is possible when the scattering profile is all that is required, as in small angle scattering reconstruction (SAS) of macromolecules. We examine the relationship of the proposed algorithm to existing approximate methods for profile computations, and show that these methods may result in inaccurate profile computations, unless an error bound derived in this paper is used. Our theoretical and computational results show orders of magnitude improvement in computation complexity over existing methods, while maintaining prescribed accuracy. PMID:22707386

Supercomputer optimizations for stochastic optimal control applications

NASA Technical Reports Server (NTRS)

Chung, Siu-Leung; Hanson, Floyd B.; Xu, Huihuang

1991-01-01

Supercomputer optimizations for a computational method of solving stochastic, multibody, dynamic programming problems are presented. The computational method is valid for a general class of optimal control problems that are nonlinear, multibody dynamical systems, perturbed by general Markov noise in continuous time, i.e., nonsmooth Gaussian as well as jump Poisson random white noise. Optimization techniques for vector multiprocessors or vectorizing supercomputers include advanced data structures, loop restructuring, loop collapsing, blocking, and compiler directives. These advanced computing techniques and superconducting hardware help alleviate Bellman's curse of dimensionality in dynamic programming computations, by permitting the solution of large multibody problems. Possible applications include lumped flight dynamics models for uncertain environments, such as large scale and background random aerospace fluctuations.

Parallel workflow manager for non-parallel bioinformatic applications to solve large-scale biological problems on a supercomputer.

PubMed

Suplatov, Dmitry; Popova, Nina; Zhumatiy, Sergey; Voevodin, Vladimir; Švedas, Vytas

2016-04-01

Rapid expansion of online resources providing access to genomic, structural, and functional information associated with biological macromolecules opens an opportunity to gain a deeper understanding of the mechanisms of biological processes due to systematic analysis of large datasets. This, however, requires novel strategies to optimally utilize computer processing power. Some methods in bioinformatics and molecular modeling require extensive computational resources. Other algorithms have fast implementations which take at most several hours to analyze a common input on a modern desktop station, however, due to multiple invocations for a large number of subtasks the full task requires a significant computing power. Therefore, an efficient computational solution to large-scale biological problems requires both a wise parallel implementation of resource-hungry methods as well as a smart workflow to manage multiple invocations of relatively fast algorithms. In this work, a new computer software mpiWrapper has been developed to accommodate non-parallel implementations of scientific algorithms within the parallel supercomputing environment. The Message Passing Interface has been implemented to exchange information between nodes. Two specialized threads - one for task management and communication, and another for subtask execution - are invoked on each processing unit to avoid deadlock while using blocking calls to MPI. The mpiWrapper can be used to launch all conventional Linux applications without the need to modify their original source codes and supports resubmission of subtasks on node failure. We show that this approach can be used to process huge amounts of biological data efficiently by running non-parallel programs in parallel mode on a supercomputer. The C++ source code and documentation are available from http://biokinet.belozersky.msu.ru/mpiWrapper .

Combining convolutional neural networks and Hough Transform for classification of images containing lines

NASA Astrophysics Data System (ADS)

Sheshkus, Alexander; Limonova, Elena; Nikolaev, Dmitry; Krivtsov, Valeriy

2017-03-01

In this paper, we propose an expansion of convolutional neural network (CNN) input features based on Hough Transform. We perform morphological contrasting of source image followed by Hough Transform, and then use it as input for some convolutional filters. Thus, CNNs computational complexity and the number of units are not affected. Morphological contrasting and Hough Transform are the only additional computational expenses of introduced CNN input features expansion. Proposed approach was demonstrated on the example of CNN with very simple structure. We considered two image recognition problems, that were object classification on CIFAR-10 and printed character recognition on private dataset with symbols taken from Russian passports. Our approach allowed to reach noticeable accuracy improvement without taking much computational effort, which can be extremely important in industrial recognition systems or difficult problems utilising CNNs, like pressure ridge analysis and classification.

Cumulus cell expansion and first polar body extrusion during in vitro oocyte maturation in relation to morphological and morphometric characteristics of the dromedary camel ovary.

PubMed

Mesbah, F; Kafi, M; Nili, H

2016-12-01

The morphological and morphometric characteristics of the ovary are fundamental properties for in vitro oocyte maturation. Nuclear maturation, including first polar body (1PB) extrusion, cytoplasmic maturation and cumulus cell (CC) expansion are the criteria for in vitro maturation (IVM) of oocyte. This study was designed to determine the effect of morphological and morphometric features of the ovary on CC expansion and 1PB extrusion during IVM of oocyte in the adult female dromedary camel. The weight, volume and three dimensions of ovaries from slaughtered dromedary camels and oocytes inside zona diameter and zona pellucida thickness were measured. The follicles were classified in regard to the size and oocytes according to their ooplasm appearance and CC compactness. Aspirated cumulus oocyte complexes (COCs) were incubated for 48 hr (with a 6-hr interval) in Hams-F10, and CC expansion and 1PB extrusion were assessed. Significant differences were seen in the shape, weight, volume and three dimensions of the ovaries between ≤4-year-old and >4-year-old dromedary camel (p < .5). Approximately, 95.82% of follicles were 2-4 mm in diameter. The mean (±SD) of inside zona diameter of the oocyte and zona pellucida thickness was 132.22 ± 13.8 and 14.64 ± 2.24 μm, respectively, in >4-year-old dromedary camel. The CC expansion and 1PB extrusion were seen in 86% and 21.88% of COCs, respectively. Age and sexual conditions of dromedary camel influence the morphological and morphometric characteristics of the ovary. Most COCs retrieved from 2-6 mm follicles are cultivable. The most slaughterhouse-derived COCs retrieved from 2-6 mm follicles of non-pregnant dromedary camels are excellent and good and yielding a most favourable diameter to achieve the developmental competence for IVM in an optimal time of 24-30 hr; the optimal time for CC expansion is 24-30 hr in this species. However, the CC expansion is a prerequisite process, but not sufficient for IVM. © 2016 Blackwell Verlag GmbH.

Challenges in cryopreservation of regulatory T cells (Tregs) for clinical therapeutic applications.

PubMed

Golab, Karolina; Leveson-Gower, Dennis; Wang, Xiao-Jun; Grzanka, Jakub; Marek-Trzonkowska, Natalia; Krzystyniak, Adam; Millis, J Michael; Trzonkowski, Piotr; Witkowski, Piotr

2013-07-01

Promising results of initial studies applying ex-vivo expanded regulatory T cell (Treg) as a clinical intervention have increased interest in this type of the cellular therapy and several new clinical trials involving Tregs are currently on the way. Methods of isolation and expansion of Tregs have been studied and optimized to the extent that such therapy is feasible, and allows obtaining sufficient numbers of Tregs in the laboratory following Good Manufacturing Practice (GMP) guidelines. Nevertheless, Treg therapy could even more rapidly evolve if Tregs could be efficiently cryopreserved and stored for future infusion or expansions rather than utilization of only freshly isolated and expanded cells as it is preferred now. Currently, our knowledge regarding the impact of cryopreservation on Treg recovery, viability, and functionality is still limited. Based on experience with cryopreserved peripheral blood mononuclear cells (PBMCs), cryopreservation may have a detrimental effect on Tregs, can decrease Treg viability, cause abnormal cytokine secretion, and compromise expression of surface markers essential for proper Treg function and processing. Therefore, optimal strategies and conditions for Treg cryopreservation in conjunction with cell culture, expansion, and processing for clinical application still need to be investigated and defined. Copyright © 2013 Elsevier B.V. All rights reserved.

Numerical simulations of the flow in the HYPULSE expansion tube

NASA Technical Reports Server (NTRS)

Wilson, Gregory J.; Sussman, Myles A.; Bakos, Robert J.

1995-01-01

Axisymmetric numerical simulations with finite-rate chemistry are presented for two operating conditions in the HYPULSE expansion tube. The operating gas for these two cases is nitrogen and the computations are compared to experimental data. One test condition is at a total enthalpy of 15.2 MJ/Kg and a relatively low static pressure of 2 kPa. This case is characterized by a laminar boundary layer and significant chemical nonequilibrium in the acceleration gas. The second test condition is at a total enthalpy of 10.2 MJ/Kg and a static pressure of 38 kPa and is characterized by a turbulent boundary layer. For both cases, the time-varying test gas pressure predicted by the simulations is in good agreement with experimental data. The computations are also found to be in good agreement with Mirels' correlations for shock tube flow. It is shown that the nonuniformity of the test gas observed in the HYPULSE expansion tube is strongly linked to the boundary layer thickness. The turbulent flow investigated has a larger boundary layer and greater test gas nonuniformity. In order to investigate possibilities of improving expansion tube flow quality by reducing the boundary layer thickness, parametric studies showing the effect of density and turbulent transition point on the test conditions are also presented. Although an increase in the expansion tube operating pressure level would reduce the boundary layer thickness, the simulations indicate that the reduction would be less than what is predicted by flat plate boundary layer correlations.

A hybrid-perturbation-Galerkin technique which combines multiple expansions

NASA Technical Reports Server (NTRS)

Geer, James F.; Andersen, Carl M.

1989-01-01

A two-step hybrid perturbation-Galerkin method for the solution of a variety of differential equations type problems is found to give better results when multiple perturbation expansions are employed. The method assumes that there is parameter in the problem formulation and that a perturbation method can be sued to construct one or more expansions in this perturbation coefficient functions multiplied by computed amplitudes. In step one, regular and/or singular perturbation methods are used to determine the perturbation coefficient functions. The results of step one are in the form of one or more expansions each expressed as a sum of perturbation coefficient functions multiplied by a priori known gauge functions. In step two the classical Bubnov-Galerkin method uses the perturbation coefficient functions computed in step one to determine a set of amplitudes which replace and improve upon the gauge functions. The hybrid method has the potential of overcoming some of the drawbacks of the perturbation and Galerkin methods as applied separately, while combining some of their better features. The proposed method is applied, with two perturbation expansions in each case, to a variety of model ordinary differential equations problems including: a family of linear two-boundary-value problems, a nonlinear two-point boundary-value problem, a quantum mechanical eigenvalue problem and a nonlinear free oscillation problem. The results obtained from the hybrid methods are compared with approximate solutions obtained by other methods, and the applicability of the hybrid method to broader problem areas is discussed.

An adaptive least-squares global sensitivity method and application to a plasma-coupled combustion prediction with parametric correlation

NASA Astrophysics Data System (ADS)

Tang, Kunkun; Massa, Luca; Wang, Jonathan; Freund, Jonathan B.

2018-05-01

We introduce an efficient non-intrusive surrogate-based methodology for global sensitivity analysis and uncertainty quantification. Modified covariance-based sensitivity indices (mCov-SI) are defined for outputs that reflect correlated effects. The overall approach is applied to simulations of a complex plasma-coupled combustion system with disparate uncertain parameters in sub-models for chemical kinetics and a laser-induced breakdown ignition seed. The surrogate is based on an Analysis of Variance (ANOVA) expansion, such as widely used in statistics, with orthogonal polynomials representing the ANOVA subspaces and a polynomial dimensional decomposition (PDD) representing its multi-dimensional components. The coefficients of the PDD expansion are obtained using a least-squares regression, which both avoids the direct computation of high-dimensional integrals and affords an attractive flexibility in choosing sampling points. This facilitates importance sampling using a Bayesian calibrated posterior distribution, which is fast and thus particularly advantageous in common practical cases, such as our large-scale demonstration, for which the asymptotic convergence properties of polynomial expansions cannot be realized due to computation expense. Effort, instead, is focused on efficient finite-resolution sampling. Standard covariance-based sensitivity indices (Cov-SI) are employed to account for correlation of the uncertain parameters. Magnitude of Cov-SI is unfortunately unbounded, which can produce extremely large indices that limit their utility. Alternatively, mCov-SI are then proposed in order to bound this magnitude ∈ [ 0 , 1 ]. The polynomial expansion is coupled with an adaptive ANOVA strategy to provide an accurate surrogate as the union of several low-dimensional spaces, avoiding the typical computational cost of a high-dimensional expansion. It is also adaptively simplified according to the relative contribution of the different polynomials to the total variance. The approach is demonstrated for a laser-induced turbulent combustion simulation model, which includes parameters with correlated effects.

Loops in AdS from conformal field theory

DOE PAGES

Aharony, Ofer; Alday, Luis F.; Bissi, Agnese; ...

2017-07-10

We propose and demonstrate a new use for conformal field theory (CFT) crossing equations in the context of AdS/CFT: the computation of loop amplitudes in AdS, dual to non-planar correlators in holographic CFTs. Loops in AdS are largely unexplored, mostly due to technical difficulties in direct calculations. We revisit this problem, and the dual 1=N expansion of CFTs, in two independent ways. The first is to show how to explicitly solve the crossing equations to the first subleading order in 1=N 2, given a leading order solution. This is done as a systematic expansion in inverse powers of the spin, to all orders. These expansions can be resummed, leading to the CFT data for nite values of the spin. Our second approach involves Mellin space. We show how the polar part of the four-point, loop-level Mellin amplitudes can be fully reconstructed from the leading-order data. The anomalous dimensions computed with both methods agree. In the case ofmore » $$\\phi$$ 4 theory in AdS, our crossing solution reproduces a previous computation of the one-loop bubble diagram. We can go further, deriving the four-point scalar triangle diagram in AdS, which had never been computed. In the process, we show how to analytically derive anomalous dimensions from Mellin amplitudes with an in nite series of poles, and discuss applications to more complicated cases such as the N = 4 super-Yang-Mills theory.« less

Loops in AdS from conformal field theory

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

Aharony, Ofer; Alday, Luis F.; Bissi, Agnese

We propose and demonstrate a new use for conformal field theory (CFT) crossing equations in the context of AdS/CFT: the computation of loop amplitudes in AdS, dual to non-planar correlators in holographic CFTs. Loops in AdS are largely unexplored, mostly due to technical difficulties in direct calculations. We revisit this problem, and the dual 1=N expansion of CFTs, in two independent ways. The first is to show how to explicitly solve the crossing equations to the first subleading order in 1=N 2, given a leading order solution. This is done as a systematic expansion in inverse powers of the spin, to all orders. These expansions can be resummed, leading to the CFT data for nite values of the spin. Our second approach involves Mellin space. We show how the polar part of the four-point, loop-level Mellin amplitudes can be fully reconstructed from the leading-order data. The anomalous dimensions computed with both methods agree. In the case ofmore » $$\\phi$$ 4 theory in AdS, our crossing solution reproduces a previous computation of the one-loop bubble diagram. We can go further, deriving the four-point scalar triangle diagram in AdS, which had never been computed. In the process, we show how to analytically derive anomalous dimensions from Mellin amplitudes with an in nite series of poles, and discuss applications to more complicated cases such as the N = 4 super-Yang-Mills theory.« less

Loops in AdS from conformal field theory

NASA Astrophysics Data System (ADS)

Aharony, Ofer; Alday, Luis F.; Bissi, Agnese; Perlmutter, Eric

2017-07-01

We propose and demonstrate a new use for conformal field theory (CFT) crossing equations in the context of AdS/CFT: the computation of loop amplitudes in AdS, dual to non-planar correlators in holographic CFTs. Loops in AdS are largely unexplored, mostly due to technical difficulties in direct calculations. We revisit this problem, and the dual 1 /N expansion of CFTs, in two independent ways. The first is to show how to explicitly solve the crossing equations to the first subleading order in 1 /N 2, given a leading order solution. This is done as a systematic expansion in inverse powers of the spin, to all orders. These expansions can be resummed, leading to the CFT data for finite values of the spin. Our second approach involves Mellin space. We show how the polar part of the four-point, loop-level Mellin amplitudes can be fully reconstructed from the leading-order data. The anomalous dimensions computed with both methods agree. In the case of ϕ 4 theory in AdS, our crossing solution reproduces a previous computation of the one-loop bubble diagram. We can go further, deriving the four-point scalar triangle diagram in AdS, which had never been computed. In the process, we show how to analytically derive anomalous dimensions from Mellin amplitudes with an infinite series of poles, and discuss applications to more complicated cases such as the N = 4 super-Yang-Mills theory.

GPU-accelerated algorithms for many-particle continuous-time quantum walks

NASA Astrophysics Data System (ADS)

Piccinini, Enrico; Benedetti, Claudia; Siloi, Ilaria; Paris, Matteo G. A.; Bordone, Paolo

2017-06-01

Many-particle continuous-time quantum walks (CTQWs) represent a resource for several tasks in quantum technology, including quantum search algorithms and universal quantum computation. In order to design and implement CTQWs in a realistic scenario, one needs effective simulation tools for Hamiltonians that take into account static noise and fluctuations in the lattice, i.e. Hamiltonians containing stochastic terms. To this aim, we suggest a parallel algorithm based on the Taylor series expansion of the evolution operator, and compare its performances with those of algorithms based on the exact diagonalization of the Hamiltonian or a 4th order Runge-Kutta integration. We prove that both Taylor-series expansion and Runge-Kutta algorithms are reliable and have a low computational cost, the Taylor-series expansion showing the additional advantage of a memory allocation not depending on the precision of calculation. Both algorithms are also highly parallelizable within the SIMT paradigm, and are thus suitable for GPGPU computing. In turn, we have benchmarked 4 NVIDIA GPUs and 3 quad-core Intel CPUs for a 2-particle system over lattices of increasing dimension, showing that the speedup provided by GPU computing, with respect to the OPENMP parallelization, lies in the range between 8x and (more than) 20x, depending on the frequency of post-processing. GPU-accelerated codes thus allow one to overcome concerns about the execution time, and make it possible simulations with many interacting particles on large lattices, with the only limit of the memory available on the device.

Conversation Analysis in Computer-Assisted Language Learning

ERIC Educational Resources Information Center

González-Lloret, Marta

2015-01-01

The use of Conversation Analysis (CA) in the study of technology-mediated interactions is a recent methodological addition to qualitative research in the field of Computer-assisted Language Learning (CALL). The expansion of CA in Second Language Acquisition research, coupled with the need for qualitative techniques to explore how people interact…

Two Computer-Assisted Experiments

ERIC Educational Resources Information Center

Kraftmakher, Yaakov

2013-01-01

Two computer-assisted experiments are described: (i) determination of the speed of ultrasound waves in water and (ii) measurement of the thermal expansion of an aluminum-based alloy. A new data-acquisition system developed by PASCO scientific is used. In both experiments, the "Keep" mode of recording data is employed: the data are…

Computer Aided Tests.

ERIC Educational Resources Information Center

Steinke, Elisabeth

An approach to using the computer to assemble German tests is described. The purposes of the system would be: (1) an expansion of the bilingual lexical memory bank to list and store idioms of all degrees of difficulty, with frequency data and with complete and sophisticated retrieval possibility for assembly; (2) the creation of an…

3D PATTERN OF BRAIN ABNORMALITIES IN FRAGILE X SYNDROME VISUALIZED USING TENSOR-BASED MORPHOMETRY

PubMed Central

Lee, Agatha D.; Leow, Alex D.; Lu, Allen; Reiss, Allan L.; Hall, Scott; Chiang, Ming-Chang; Toga, Arthur W.; Thompson, Paul M.

2007-01-01

Fragile X syndrome (FraX), a genetic neurodevelopmental disorder, results in impaired cognition with particular deficits in executive function and visuo-spatial skills. Here we report the first detailed 3D maps of the effects of the Fragile X mutation on brain structure, using tensor-based morphometry. TBM visualizes structural brain deficits automatically, without time-consuming specification of regions-of-interest. We compared 36 subjects with FraX (age: 14.66+/−1.58SD, 18 females/18 males), and 33 age-matched healthy controls (age: 14.67+/−2.2SD, 17 females/16 males), using high-dimensional elastic image registration. All 69 subjects' 3D T1-weighted brain MRIs were spatially deformed to match a high-resolution single-subject average MRI scan in ICBM space, whose geometry was optimized to produce a minimal deformation target. Maps of the local Jacobian determinant (expansion factor) were computed from the deformation fields. Statistical maps showed increased caudate (10% higher; p=0.001) and lateral ventricle volumes (19% higher; p=0.003), and trend-level parietal and temporal white matter excesses (10% higher locally; p=0.04). In affected females, volume abnormalities correlated with reduction in systemically measured levels of the fragile X mental retardation protein (FMRP; Spearman's r<−0.5 locally). Decreased FMRP correlated with ventricular expansion (p=0.042; permutation test), and anterior cingulate tissue reductions (p=0.0026; permutation test) supporting theories that FMRP is required for normal dendritic pruning in fronto-striatal-limbic pathways. No sex differences were found; findings were confirmed using traditional volumetric measures in regions of interest. Deficit patterns were replicated using Lie group statistics optimized for tensor-valued data. Investigation of how these anomalies emerge over time will accelerate our understanding of FraX and its treatment. PMID:17161622

International Spine Radiosurgery Consortium Consensus Guidelines for Target Volume Definition in Spinal Stereotactic Radiosurgery

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

Cox, Brett W., E-mail: coxb@mskcc.org; Spratt, Daniel E.; Lovelock, Michael

2012-08-01

Purpose: Spinal stereotactic radiosurgery (SRS) is increasingly used to manage spinal metastases. However, target volume definition varies considerably and no consensus target volume guidelines exist. This study proposes consensus target volume definitions using common scenarios in metastatic spine radiosurgery. Methods and Materials: Seven radiation oncologists and 3 neurological surgeons with spinal radiosurgery expertise independently contoured target and critical normal structures for 10 cases representing common scenarios in metastatic spine radiosurgery. Each set of volumes was imported into the Computational Environment for Radiotherapy Research. Quantitative analysis was performed using an expectation maximization algorithm for Simultaneous Truth and Performance Level Estimation (STAPLE)more » with kappa statistics calculating agreement between physicians. Optimized confidence level consensus contours were identified using histogram agreement analysis and characterized to create target volume definition guidelines. Results: Mean STAPLE agreement sensitivity and specificity was 0.76 (range, 0.67-0.84) and 0.97 (range, 0.94-0.99), respectively, for gross tumor volume (GTV) and 0.79 (range, 0.66-0.91) and 0.96 (range, 0.92-0.98), respectively, for clinical target volume (CTV). Mean kappa agreement was 0.65 (range, 0.54-0.79) for GTV and 0.64 (range, 0.54-0.82) for CTV (P<.01 for GTV and CTV in all cases). STAPLE histogram agreement analysis identified optimal consensus contours (80% confidence limit). Consensus recommendations include that the CTV should include abnormal marrow signal suspicious for microscopic invasion and an adjacent normal bony expansion to account for subclinical tumor spread in the marrow space. No epidural CTV expansion is recommended without epidural disease, and circumferential CTVs encircling the cord should be used only when the vertebral body, bilateral pedicles/lamina, and spinous process are all involved or there is extensive metastatic disease along the circumference of the epidural space. Conclusions: This report provides consensus guidelines for target volume definition for spinal metastases receiving upfront SRS in common clinical situations.« less

Blunt-Body Aerothermodynamic Database from High-Enthalpy CO2 Testing in an Expansion Tunnel

NASA Technical Reports Server (NTRS)

Hollis, Brian R.; Prabhu, Dinesh K.; Maclean, Matthew; Dufrene, Aaron

2016-01-01

An extensive database of heating, pressure, and flow field measurements on a 70-deg sphere-cone blunt body geometry in high-enthalpy, CO2 flow has been generated through testing in an expansion tunnel. This database is intended to support development and validation of computational tools and methods to be employed in the design of future Mars missions. The test was conducted in an expansion tunnel in order to avoid uncertainties in the definition of free stream conditions noted in previous studies performed in reflected shock tunnels. Data were obtained across a wide range of test velocity/density conditions that produced various physical phenomena of interest, including laminar and transitional/turbulent boundary layers, non-reacting to completely dissociated post-shock gas composition and shock-layer radiation. Flow field computations were performed at the test conditions and comparisons were made with the experimental data. Based on these comparisons, it is recommended that computational uncertainties on surface heating and pressure, for laminar, reacting-gas environments can be reduced to +/-10% and +/-5%, respectively. However, for flows with turbulence and shock-layer radiation, there were not sufficient validation-quality data obtained in this study to make any conclusions with respect to uncertainties, which highlights the need for further research in these areas.

Towards a predictive thermal explosion model for energetic materials

NASA Astrophysics Data System (ADS)

Yoh, Jack J.; McClelland, Matthew A.; Maienschein, Jon L.; Wardell, Jeffrey F.

2005-01-01

We present an overview of models and computational strategies for simulating the thermal response of high explosives using a multi-physics hydrodynamics code, ALE3D. Recent improvements to the code have aided our computational capability in modeling the behavior of energetic materials systems exposed to strong thermal environments such as fires. We apply these models and computational techniques to a thermal explosion experiment involving the slow heating of a confined explosive. The model includes the transition from slow heating to rapid deflagration in which the time scale decreases from days to hundreds of microseconds. Thermal, mechanical, and chemical effects are modeled during all phases of this process. The heating stage involves thermal expansion and decomposition according to an Arrhenius kinetics model while a pressure-dependent burn model is employed during the explosive phase. We describe and demonstrate the numerical strategies employed to make the transition from slow to fast dynamics. In addition, we investigate the sensitivity of wall expansion rates to numerical strategies and parameters. Results from a one-dimensional model show that violence is influenced by the presence of a gap between the explosive and container. In addition, a comparison is made between 2D model and measured results for the explosion temperature and tube wall expansion profiles.

K-16 Computationally Rich Science Education: A Ten-Year Review of the "Journal of Science Education and Technology" (1998-2008)

ERIC Educational Resources Information Center

Wofford, Jennifer

2009-01-01

Computing is anticipated to have an increasingly expansive impact on the sciences overall, becoming the third, crucial component of a "golden triangle" that includes mathematics and experimental and theoretical science. However, even more true with computing than with math and science, we are not preparing our students for this new reality. It is…

The use of computer graphics in the visual analysis of the proposed Sunshine Ski Area expansion

Treesearch

Mark Angelo

1979-01-01

This paper describes the use of computer graphics in designing part of the Sunshine Ski Area in Banff National Park. The program used was capable of generating perspective landscape drawings from a number of different viewpoints. This allowed managers to predict, and subsequently reduce, the adverse visual impacts of ski-run development. Computer graphics have proven,...

ZERODUR TAILORED for cryogenic application

NASA Astrophysics Data System (ADS)

Jedamzik, R.; Westerhoff, T.

2014-07-01

ZERODUR® glass ceramic from SCHOTT is known for its very low thermal expansion coefficient (CTE) at room temperature and its excellent CTE homogeneity. It is widely used for ground-based astronomical mirrors but also for satellite applications. Many reference application demonstrate the excellent and long lasting performance of ZERODUR® components in orbit. For space application a low CTE of the mirror material is required at cryogenic temperatures together with a good match of the thermal expansion to the supporting structure material. It is possible to optimize the coefficient of thermal expansion of ZERODUR® for cryogenic applications. This paper reports on measurements of thermal expansion of ZERODUR® down to cryogenic temperatures of 10 K performed by the PTB (Physikalisch Technische Bundesanstallt, Braunschweig, Germany, the national metrology laboratory). The ZERODUR® TAILORED CRYO presented in this paper has a very low coefficient of thermal expansion down to 70 K. The maximum absolute integrated thermal expansion down to 10 K is only about 20 ppm. Mirror blanks made from ZERODUR® TAILORED CRYO can be light weighted to almost 90% with our modern processing technologies. With ZERODUR® TAILORED CRYO, SCHOTT offers the mirror blank material for the next generation of space telescope applications.

Understanding the many-body expansion for large systems. I. Precision considerations

NASA Astrophysics Data System (ADS)

Richard, Ryan M.; Lao, Ka Un; Herbert, John M.

2014-07-01

Electronic structure methods based on low-order "n-body" expansions are an increasingly popular means to defeat the highly nonlinear scaling of ab initio quantum chemistry calculations, taking advantage of the inherently distributable nature of the numerous subsystem calculations. Here, we examine how the finite precision of these subsystem calculations manifests in applications to large systems, in this case, a sequence of water clusters ranging in size up to (H_2O)_{47}. Using two different computer implementations of the n-body expansion, one fully integrated into a quantum chemistry program and the other written as a separate driver routine for the same program, we examine the reproducibility of total binding energies as a function of cluster size. The combinatorial nature of the n-body expansion amplifies subtle differences between the two implementations, especially for n ⩾ 4, leading to total energies that differ by as much as several kcal/mol between two implementations of what is ostensibly the same method. This behavior can be understood based on a propagation-of-errors analysis applied to a closed-form expression for the n-body expansion, which is derived here for the first time. Discrepancies between the two implementations arise primarily from the Coulomb self-energy correction that is required when electrostatic embedding charges are implemented by means of an external driver program. For reliable results in large systems, our analysis suggests that script- or driver-based implementations should read binary output files from an electronic structure program, in full double precision, or better yet be fully integrated in a way that avoids the need to compute the aforementioned self-energy. Moreover, four-body and higher-order expansions may be too sensitive to numerical thresholds to be of practical use in large systems.

Understanding the many-body expansion for large systems. I. Precision considerations

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

Richard, Ryan M.; Lao, Ka Un; Herbert, John M., E-mail: herbert@chemistry.ohio-state.edu

2014-07-07

Electronic structure methods based on low-order “n-body” expansions are an increasingly popular means to defeat the highly nonlinear scaling of ab initio quantum chemistry calculations, taking advantage of the inherently distributable nature of the numerous subsystem calculations. Here, we examine how the finite precision of these subsystem calculations manifests in applications to large systems, in this case, a sequence of water clusters ranging in size up to (H{sub 2}O){sub 47}. Using two different computer implementations of the n-body expansion, one fully integrated into a quantum chemistry program and the other written as a separate driver routine for the same program,more » we examine the reproducibility of total binding energies as a function of cluster size. The combinatorial nature of the n-body expansion amplifies subtle differences between the two implementations, especially for n ⩾ 4, leading to total energies that differ by as much as several kcal/mol between two implementations of what is ostensibly the same method. This behavior can be understood based on a propagation-of-errors analysis applied to a closed-form expression for the n-body expansion, which is derived here for the first time. Discrepancies between the two implementations arise primarily from the Coulomb self-energy correction that is required when electrostatic embedding charges are implemented by means of an external driver program. For reliable results in large systems, our analysis suggests that script- or driver-based implementations should read binary output files from an electronic structure program, in full double precision, or better yet be fully integrated in a way that avoids the need to compute the aforementioned self-energy. Moreover, four-body and higher-order expansions may be too sensitive to numerical thresholds to be of practical use in large systems.« less

Zernike expansion of derivatives and Laplacians of the Zernike circle polynomials.

PubMed

Janssen, A J E M

2014-07-01

The partial derivatives and Laplacians of the Zernike circle polynomials occur in various places in the literature on computational optics. In a number of cases, the expansion of these derivatives and Laplacians in the circle polynomials are required. For the first-order partial derivatives, analytic results are scattered in the literature. Results start as early as 1942 in Nijboer's thesis and continue until present day, with some emphasis on recursive computation schemes. A brief historic account of these results is given in the present paper. By choosing the unnormalized version of the circle polynomials, with exponential rather than trigonometric azimuthal dependence, and by a proper combination of the two partial derivatives, a concise form of the expressions emerges. This form is appropriate for the formulation and solution of a model wavefront sensing problem of reconstructing a wavefront on the level of its expansion coefficients from (measurements of the expansion coefficients of) the partial derivatives. It turns out that the least-squares estimation problem arising here decouples per azimuthal order m, and per m the generalized inverse solution assumes a concise analytic form so that singular value decompositions are avoided. The preferred version of the circle polynomials, with proper combination of the partial derivatives, also leads to a concise analytic result for the Zernike expansion of the Laplacian of the circle polynomials. From these expansions, the properties of the Laplacian as a mapping from the space of circle polynomials of maximal degree N, as required in the study of the Neumann problem associated with the transport-of-intensity equation, can be read off within a single glance. Furthermore, the inverse of the Laplacian on this space is shown to have a concise analytic form.

Cycle expansions: From maps to turbulence

NASA Astrophysics Data System (ADS)

Lan, Y.

2010-03-01

We present a derivation, a physical explanation and applications of cycle expansions in different dynamical systems, ranging from simple one-dimensional maps to turbulence in fluids. Cycle expansion is a newly devised powerful tool for computing averages of physical observables in nonlinear chaotic systems which combines many innovative ideas developed in dynamical systems, such as hyperbolicity, invariant manifolds, symbolic dynamics, measure theory and thermodynamic formalism. The concept of cycle expansion has a deep root in theoretical physics, bearing a close analogy to cumulant expansion in statistical physics and effective action functional in quantum field theory, the essence of which is to represent a physical system in a hierarchical way by utilizing certain multiplicative structures such that the dominant parts of physical observables are captured by compact, maneuverable objects while minor detailed variations are described by objects with a larger space and time scale. The technique has been successfully applied to many low-dimensional dynamical systems and much effort has recently been made to extend its use to spatially extended systems. For one-dimensional systems such as the Kuramoto-Sivashinsky equation, the method turns out to be very effective while for more complex real-world systems including the Navier-Stokes equation, the method is only starting to yield its first fruits and much more work is needed to enable practical computations. However, the experience and knowledge accumulated so far is already very useful to a large set of research problems. Several such applications are briefly described in what follows. As more research effort is devoted to the study of complex dynamics of nonlinear systems, cycle expansion will undergo a fast development and find wide applications.

SU-E-J-90: Lobar-Level Lung Ventilation Analysis Using 4DCT and Deformable Image Registration

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

Du, K; Bayouth, J; Patton, T

2015-06-15

Purpose: To assess regional changes in human lung ventilation and mechanics using four-dimensional computed tomography (4DCT) and deformable image registration. This work extends our prior analysis of the entire lung to a lobe-based analysis. Methods: 4DCT images acquired from 20 patients prior to radiation therapy (RT) were used for this analysis. Jacobian ventilation and motion maps were computed from the displacement field after deformable image registration between the end of expiration breathing phase and the end of inspiration breathing phase. The lobes were manually segmented on the reference phase by a medical physicist expert. The voxel-by-voxel ventilation and motion magnitudemore » for all subjects were grouped by lobes and plotted into cumulative voxel frequency curves respectively. In addition, to eliminate the effect of different breathing efforts across subjects, we applied the inter-subject equivalent lung volume (ELV) method on a subset of the cohort and reevaluated the lobar ventilation. Results: 95% of voxels in the lung are expanding during inspiration. However, some local regions of lung tissue show far more expansion than others. The greatest expansion with respiration occurs within the lower lobes; between exhale and inhale the median expansion in lower lobes is approximately 15%, while the median expansion in upper lobes is 10%. This appears to be driven by a subset of lung tissues within the lobe that have greater expansion; twice the number of voxels in the lower lobes (20%) expand by > 30% when compared to the upper lobes (10%). Conclusion: Lung ventilation and motion show significant difference on the lobar level. There are different lobar fractions of driving voxels that contribute to the major expansion of the lung. This work was supported by NIH grant CA166703.« less

Signatures of a globally optimal searching strategy in the three-dimensional foraging flights of bumblebees

NASA Astrophysics Data System (ADS)

Lihoreau, Mathieu; Ings, Thomas C.; Chittka, Lars; Reynolds, Andy M.

2016-07-01

Simulated annealing is a powerful stochastic search algorithm for locating a global maximum that is hidden among many poorer local maxima in a search space. It is frequently implemented in computers working on complex optimization problems but until now has not been directly observed in nature as a searching strategy adopted by foraging animals. We analysed high-speed video recordings of the three-dimensional searching flights of bumblebees (Bombus terrestris) made in the presence of large or small artificial flowers within a 0.5 m3 enclosed arena. Analyses of the three-dimensional flight patterns in both conditions reveal signatures of simulated annealing searches. After leaving a flower, bees tend to scan back-and forth past that flower before making prospecting flights (loops), whose length increases over time. The search pattern becomes gradually more expansive and culminates when another rewarding flower is found. Bees then scan back and forth in the vicinity of the newly discovered flower and the process repeats. This looping search pattern, in which flight step lengths are typically power-law distributed, provides a relatively simple yet highly efficient strategy for pollinators such as bees to find best quality resources in complex environments made of multiple ephemeral feeding sites with nutritionally variable rewards.

Expansion of the Multi-Link Frontier™ Coronary Bifurcation Stent: Micro-Computed Tomographic Assessment in Human Autopsy and Porcine Heart Samples

PubMed Central

Kralev, Stefan; Haag, Benjamin; Spannenberger, Jens; Lang, Siegfried; Brockmann, Marc A.; Bartling, Soenke; Marx, Alexander; Haase, Karl-Konstantin; Borggrefe, Martin; Süselbeck, Tim

2011-01-01

Background Treatment of coronary bifurcation lesions remains challenging, beyond the introduction of drug eluting stents. Dedicated stent systems are available to improve the technical approach to the treatment of these lesions. However dedicated stent systems have so far not reduced the incidence of stent restenosis. The aim of this study was to assess the expansion of the Multi-Link (ML) Frontier™ stent in human and porcine coronary arteries to provide the cardiologist with useful in-vitro information for stent implantation and selection. Methodology/Principal Findings Nine ML Frontier™ stents were implanted in seven human autopsy heart samples with known coronary artery disease and five ML Frontier™ stents were implanted in five porcine hearts. Proximal, distal and side branch diameters (PD, DD, SBD, respectively), corresponding opening areas (PA, DA, SBA) and the mean stent length (L) were assessed by micro-computed tomography (micro-CT). PD and PA were significantly smaller in human autopsy heart samples than in porcine heart samples (3.54±0.47 mm vs. 4.04±0.22 mm, p = 0.048; 10.00±2.42 mm2 vs. 12.84±1.38 mm2, p = 0.034, respectively) and than those given by the manufacturer (3.54±0.47 mm vs. 4.03 mm, p = 0.014). L was smaller in human autopsy heart samples than in porcine heart samples, although data did not reach significance (16.66±1.30 mm vs. 17.30±0.51 mm, p = 0.32), and significantly smaller than that given by the manufacturer (16.66±1.30 mm vs. 18 mm, p = 0.015). Conclusions/Significance Micro-CT is a feasible tool for exact surveying of dedicated stent systems and could make a contribution to the development of these devices. The proximal diameter and proximal area of the stent system were considerably smaller in human autopsy heart samples than in porcine heart samples and than those given by the manufacturer. Special consideration should be given to the stent deployment procedure (and to the follow-up) of dedicated stent systems, considering final intravascular ultrasound or optical coherence tomography to visualize (and if necessary optimize) stent expansion. PMID:21814552

Sub-optimal control of unsteady boundary layer separation and optimal control of Saltzman-Lorenz model

NASA Astrophysics Data System (ADS)

Sardesai, Chetan R.

The primary objective of this research is to explore the application of optimal control theory in nonlinear, unsteady, fluid dynamical settings. Two problems are considered: (1) control of unsteady boundary-layer separation, and (2) control of the Saltzman-Lorenz model. The unsteady boundary-layer equations are nonlinear partial differential equations that govern the eruptive events that arise when an adverse pressure gradient acts on a boundary layer at high Reynolds numbers. The Saltzman-Lorenz model consists of a coupled set of three nonlinear ordinary differential equations that govern the time-dependent coefficients in truncated Fourier expansions of Rayleigh-Renard convection and exhibit deterministic chaos. Variational methods are used to derive the nonlinear optimal control formulations based on cost functionals that define the control objective through a performance measure and a penalty function that penalizes the cost of control. The resulting formulation consists of the nonlinear state equations, which must be integrated forward in time, and the nonlinear control (adjoint) equations, which are integrated backward in time. Such coupled forward-backward time integrations are computationally demanding; therefore, the full optimal control problem for the Saltzman-Lorenz model is carried out, while the more complex unsteady boundary-layer case is solved using a sub-optimal approach. The latter is a quasi-steady technique in which the unsteady boundary-layer equations are integrated forward in time, and the steady control equation is solved at each time step. Both sub-optimal control of the unsteady boundary-layer equations and optimal control of the Saltzman-Lorenz model are found to be successful in meeting the control objectives for each problem. In the case of boundary-layer separation, the control results indicate that it is necessary to eliminate the recirculation region that is a precursor to the unsteady boundary-layer eruptions. In the case of the Saltzman-Lorenz model, it is possible to control the system about either of the two unstable equilibrium points representing clockwise and counterclockwise rotation of the convection roles in a parameter regime for which the uncontrolled solution would exhibit deterministic chaos.

Products of composite operators in the exact renormalization group formalism

NASA Astrophysics Data System (ADS)

Pagani, C.; Sonoda, H.

2018-02-01

We discuss a general method of constructing the products of composite operators using the exact renormalization group formalism. Considering mainly the Wilson action at a generic fixed point of the renormalization group, we give an argument for the validity of short-distance expansions of operator products. We show how to compute the expansion coefficients by solving differential equations, and test our method with some simple examples.

Guidance law development for aeroassisted transfer vehicles using matched asymptotic expansions

NASA Technical Reports Server (NTRS)

Calise, Anthony J.; Melamed, Nahum

1993-01-01

This report addresses and clarifies a number of issues related to the Matched Asymptotic Expansion (MAE) analysis of skip trajectories, or any class of problems that give rise to inner layers that are not associated directly with satisfying boundary conditions. The procedure for matching inner and outer solutions, and using the composite solution to satisfy boundary conditions is developed and rigorously followed to obtain a set of algebraic equations for the problem of inclination change with minimum energy loss. A detailed evaluation of the zeroth order guidance algorithm for aeroassisted orbit transfer is performed. It is shown that by exploiting the structure of the MAE solution procedure, the original problem, which requires the solution of a set of 20 implicit algebraic equations, can be reduced to a problem of 6 implicit equations in 6 unknowns. A solution that is near optimal, requires a minimum of computation, and thus can be implemented in real time and on-board the vehicle, has been obtained. Guidance law implementation entails treating the current state as a new initial state and repetitively solving the zeroth order MAE problem to obtain the feedback controls. Finally, a general procedure is developed for constructing a MAE solution up to first order, of the Hamilton-Jacobi-Bellman equation based on the method of characteristics. The development is valid for a class of perturbation problems whose solution exhibits two-time-scale behavior. A regular expansion for problems of this type is shown to be inappropriate since it is not valid over a narrow range of the independent variable. That is, it is not uniformly valid. Of particular interest here is the manner in which matching and boundary conditions are enforced when the expansion is carried out to first order. Two cases are distinguished-one where the left boundary condition coincides with, or lies to the right of, the singular region, and another one where the left boundary condition lies to the left of the singular region. A simple example is used to illustrate the procedure where the obtained solution is uniformly valid to O(Epsilon(exp 2)). The potential application of this procedure to aeroassisted plane change is also described and partially evaluated.

Capacity expansion model of wind power generation based on ELCC

NASA Astrophysics Data System (ADS)

Yuan, Bo; Zong, Jin; Wu, Shengyu

2018-02-01

Capacity expansion is an indispensable prerequisite for power system planning and construction. A reasonable, efficient and accurate capacity expansion model (CEM) is crucial to power system planning. In most current CEMs, the capacity of wind power generation is considered as boundary conditions instead of decision variables, which may lead to curtailment or over construction of flexible resource, especially at a high renewable energy penetration scenario. This paper proposed a wind power generation capacity value(CV) calculation method based on effective load-carrying capability, and a CEM that co-optimizes wind power generation and conventional power sources. Wind power generation is considered as decision variable in this model, and the model can accurately reflect the uncertainty nature of wind power.

Sorption compressor/mechanical expander hybrid refrigeration

NASA Technical Reports Server (NTRS)

Jones, J. A.; Britcliffe, M.

1987-01-01

Experience with Deep Space Network (DSN) ground-based cryogenic refrigerators has proved the reliability of the basic two-stage Gifford-McMahon helium refrigerator. A very long life cryogenic refrigeration system appears possible by combining this expansion system or a turbo expansion system with a hydride sorption compressor in place of the usual motor driven piston compressor. To test the feasibility of this system, a commercial Gifford-McMahon refrigerator was tested using hydrogen gas as the working fluid. Although no attempt was made to optimize the system for hydrogen operation, the refrigerator developed 1.3 W at 30 K and 6.6 W at 60 K. The results of the test and of theoretical performances of the hybrid compressor coupled to these expansion systems are presented.

System, methods and apparatus for program optimization for multi-threaded processor architectures

DOEpatents

Bastoul, Cedric; Lethin, Richard A; Leung, Allen K; Meister, Benoit J; Szilagyi, Peter; Vasilache, Nicolas T; Wohlford, David E

2015-01-06

Methods, apparatus and computer software product for source code optimization are provided. In an exemplary embodiment, a first custom computing apparatus is used to optimize the execution of source code on a second computing apparatus. In this embodiment, the first custom computing apparatus contains a memory, a storage medium and at least one processor with at least one multi-stage execution unit. The second computing apparatus contains at least two multi-stage execution units that allow for parallel execution of tasks. The first custom computing apparatus optimizes the code for parallelism, locality of operations and contiguity of memory accesses on the second computing apparatus. This Abstract is provided for the sole purpose of complying with the Abstract requirement rules. This Abstract is submitted with the explicit understanding that it will not be used to interpret or to limit the scope or the meaning of the claims.

Exploring quantum computing application to satellite data assimilation

NASA Astrophysics Data System (ADS)

Cheung, S.; Zhang, S. Q.

2015-12-01

This is an exploring work on potential application of quantum computing to a scientific data optimization problem. On classical computational platforms, the physical domain of a satellite data assimilation problem is represented by a discrete variable transform, and classical minimization algorithms are employed to find optimal solution of the analysis cost function. The computation becomes intensive and time-consuming when the problem involves large number of variables and data. The new quantum computer opens a very different approach both in conceptual programming and in hardware architecture for solving optimization problem. In order to explore if we can utilize the quantum computing machine architecture, we formulate a satellite data assimilation experimental case in the form of quadratic programming optimization problem. We find a transformation of the problem to map it into Quadratic Unconstrained Binary Optimization (QUBO) framework. Binary Wavelet Transform (BWT) will be applied to the data assimilation variables for its invertible decomposition and all calculations in BWT are performed by Boolean operations. The transformed problem will be experimented as to solve for a solution of QUBO instances defined on Chimera graphs of the quantum computer.

Development of a Groundwater Transport Simulation Tool for Remedial Process Optimization

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

Ivarson, Kristine A.; Hanson, James P.; Tonkin, M.

2015-01-14

The groundwater remedy for hexavalent chromium at the Hanford Site includes operation of five large pump-and-treat systems along the Columbia River. The systems at the 100-HR-3 and 100-KR-4 groundwater operable units treat a total of about 9,840 liters per minute (2,600 gallons per minute) of groundwater to remove hexavalent chromium, and cover an area of nearly 26 square kilometers (10 square miles). The pump-and-treat systems result in large scale manipulation of groundwater flow direction, velocities, and most importantly, the contaminant plumes. Tracking of the plumes and predicting needed system modifications is part of the remedial process optimization, and is amore » continual process with the goal of reducing costs and shortening the timeframe to achieve the cleanup goals. While most of the initial system evaluations are conducted by assessing performance (e.g., reduction in contaminant concentration in groundwater and changes in inferred plume size), changes to the well field are often recommended. To determine the placement for new wells, well realignments, and modifications to pumping rates, it is important to be able to predict resultant plume changes. In smaller systems, it may be effective to make small scale changes periodically and adjust modifications based on groundwater monitoring results. Due to the expansive nature of the remediation systems at Hanford, however, additional tools were needed to predict the plume reactions to system changes. A computer simulation tool was developed to support pumping rate recommendations for optimization of large pump-and-treat groundwater remedy systems. This tool, called the Pumping Optimization Model, or POM, is based on a 1-layer derivation of a multi-layer contaminant transport model using MODFLOW and MT3D.« less

Framework for computationally efficient optimal irrigation scheduling using ant colony optimization

USDA-ARS?s Scientific Manuscript database

A general optimization framework is introduced with the overall goal of reducing search space size and increasing the computational efficiency of evolutionary algorithm application for optimal irrigation scheduling. The framework achieves this goal by representing the problem in the form of a decisi...

Evaluating optimal therapy robustness by virtual expansion of a sample population, with a case study in cancer immunotherapy

PubMed Central

Barish, Syndi; Ochs, Michael F.; Sontag, Eduardo D.; Gevertz, Jana L.

2017-01-01

Cancer is a highly heterogeneous disease, exhibiting spatial and temporal variations that pose challenges for designing robust therapies. Here, we propose the VEPART (Virtual Expansion of Populations for Analyzing Robustness of Therapies) technique as a platform that integrates experimental data, mathematical modeling, and statistical analyses for identifying robust optimal treatment protocols. VEPART begins with time course experimental data for a sample population, and a mathematical model fit to aggregate data from that sample population. Using nonparametric statistics, the sample population is amplified and used to create a large number of virtual populations. At the final step of VEPART, robustness is assessed by identifying and analyzing the optimal therapy (perhaps restricted to a set of clinically realizable protocols) across each virtual population. As proof of concept, we have applied the VEPART method to study the robustness of treatment response in a mouse model of melanoma subject to treatment with immunostimulatory oncolytic viruses and dendritic cell vaccines. Our analysis (i) showed that every scheduling variant of the experimentally used treatment protocol is fragile (nonrobust) and (ii) discovered an alternative region of dosing space (lower oncolytic virus dose, higher dendritic cell dose) for which a robust optimal protocol exists. PMID:28716945

Basis set construction for molecular electronic structure theory: natural orbital and Gauss-Slater basis for smooth pseudopotentials.

PubMed

Petruzielo, F R; Toulouse, Julien; Umrigar, C J

2011-02-14

A simple yet general method for constructing basis sets for molecular electronic structure calculations is presented. These basis sets consist of atomic natural orbitals from a multiconfigurational self-consistent field calculation supplemented with primitive functions, chosen such that the asymptotics are appropriate for the potential of the system. Primitives are optimized for the homonuclear diatomic molecule to produce a balanced basis set. Two general features that facilitate this basis construction are demonstrated. First, weak coupling exists between the optimal exponents of primitives with different angular momenta. Second, the optimal primitive exponents for a chosen system depend weakly on the particular level of theory employed for optimization. The explicit case considered here is a basis set appropriate for the Burkatzki-Filippi-Dolg pseudopotentials. Since these pseudopotentials are finite at nuclei and have a Coulomb tail, the recently proposed Gauss-Slater functions are the appropriate primitives. Double- and triple-zeta bases are developed for elements hydrogen through argon. These new bases offer significant gains over the corresponding Burkatzki-Filippi-Dolg bases at various levels of theory. Using a Gaussian expansion of the basis functions, these bases can be employed in any electronic structure method. Quantum Monte Carlo provides an added benefit: expansions are unnecessary since the integrals are evaluated numerically.

Optimal design criteria - prediction vs. parameter estimation

NASA Astrophysics Data System (ADS)

Waldl, Helmut

2014-05-01

G-optimality is a popular design criterion for optimal prediction, it tries to minimize the kriging variance over the whole design region. A G-optimal design minimizes the maximum variance of all predicted values. If we use kriging methods for prediction it is self-evident to use the kriging variance as a measure of uncertainty for the estimates. Though the computation of the kriging variance and even more the computation of the empirical kriging variance is computationally very costly and finding the maximum kriging variance in high-dimensional regions can be time demanding such that we cannot really find the G-optimal design with nowadays available computer equipment in practice. We cannot always avoid this problem by using space-filling designs because small designs that minimize the empirical kriging variance are often non-space-filling. D-optimality is the design criterion related to parameter estimation. A D-optimal design maximizes the determinant of the information matrix of the estimates. D-optimality in terms of trend parameter estimation and D-optimality in terms of covariance parameter estimation yield basically different designs. The Pareto frontier of these two competing determinant criteria corresponds with designs that perform well under both criteria. Under certain conditions searching the G-optimal design on the above Pareto frontier yields almost as good results as searching the G-optimal design in the whole design region. In doing so the maximum of the empirical kriging variance has to be computed only a few times though. The method is demonstrated by means of a computer simulation experiment based on data provided by the Belgian institute Management Unit of the North Sea Mathematical Models (MUMM) that describe the evolution of inorganic and organic carbon and nutrients, phytoplankton, bacteria and zooplankton in the Southern Bight of the North Sea.

Tissue expansion in the treatment of giant congenital melanocytic nevi of the upper extremity

PubMed Central

Ma, Tengxiao; Fan, Ke; Li, Lei; Xie, Feng; Li, Hao; Chou, Haiyan; Zhang, Zhengwen

2017-01-01

Abstract The aim of our study was to use tissue expansion for the treatment of giant congenital melanocytic nevi of the upper extremity and examine potential advantages over traditional techniques. There were 3 stages in the treatment of giant congenital melanocytic nevi of the upper extremities using tissue expansion: first, the expander was inserted into the subcutaneous pocket; second, the expander was removed, lesions were excised, and the wound of the upper extremity was placed into the pocket to delay healing; third, the residual lesion was excised and the pedicle was removed. The pedicle flap was then unfolded to resurface the wound. During the period between June 2007 and December 2015, there were 11 patients with giant congenital melanocytic nevi of the upper extremities who underwent reconstruction at our department with skin expansion. Few complications were noted in each stage of treatment. The functional and aesthetic results were observed and discussed in this study. Optimal aesthetic and functional results were obtained using tissue expansion to reconstruct the upper extremities due to the giant congenital melanocytic nevi. PMID:28353563

[Landscape ecological security pattern during urban expansion of Nanchong City].

PubMed

Li, Sui; Shi, Tie-mao; Fu, Shi-lei; Zhou, Le; Liu, Miao; Wang, Wei

2011-03-01

Based on the theory of landscape ecological security pattern and the RS and GIS techniques, this paper analyzed the distribution of ecological security grades in Nanchong City, taking six elements including terrain condition, flood hazard, soil erosion, vegetation cover, geological disaster, and biological protection as the ecological constraints (or determinants) of urban expansion. According to the minimum cumulative resistance model, the ecological corridors and ecological nodes were built to strengthen the space contact of ecological network, and, on the basis of the protection of ecological safety, the reasonable trend of urban expansion and the optimization of space layout were investigated. The results showed that the ecological security of Nanchong City was quite good, with the regions of low ecological security mainly distributed in the west suburban mountains and the downstream region of Jialing River in the south of the City. Ecological elements were the most important constraints for the future expansion of urban space. There were more spaces for the urban expansion in the southern and northern parts of Nanchong City. To develop satellite towns would be the best selection to guarantee the ecological security of the city.

Low-Complexity Polynomial Channel Estimation in Large-Scale MIMO With Arbitrary Statistics

NASA Astrophysics Data System (ADS)

Shariati, Nafiseh; Bjornson, Emil; Bengtsson, Mats; Debbah, Merouane

2014-10-01

This paper considers pilot-based channel estimation in large-scale multiple-input multiple-output (MIMO) communication systems, also known as massive MIMO, where there are hundreds of antennas at one side of the link. Motivated by the fact that computational complexity is one of the main challenges in such systems, a set of low-complexity Bayesian channel estimators, coined Polynomial ExpAnsion CHannel (PEACH) estimators, are introduced for arbitrary channel and interference statistics. While the conventional minimum mean square error (MMSE) estimator has cubic complexity in the dimension of the covariance matrices, due to an inversion operation, our proposed estimators significantly reduce this to square complexity by approximating the inverse by a L-degree matrix polynomial. The coefficients of the polynomial are optimized to minimize the mean square error (MSE) of the estimate. We show numerically that near-optimal MSEs are achieved with low polynomial degrees. We also derive the exact computational complexity of the proposed estimators, in terms of the floating-point operations (FLOPs), by which we prove that the proposed estimators outperform the conventional estimators in large-scale MIMO systems of practical dimensions while providing a reasonable MSEs. Moreover, we show that L needs not scale with the system dimensions to maintain a certain normalized MSE. By analyzing different interference scenarios, we observe that the relative MSE loss of using the low-complexity PEACH estimators is smaller in realistic scenarios with pilot contamination. On the other hand, PEACH estimators are not well suited for noise-limited scenarios with high pilot power; therefore, we also introduce the low-complexity diagonalized estimator that performs well in this regime. Finally, we ...

Integrated Multiscale Modeling of Molecular Computing Devices

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

Gregory Beylkin

2012-03-23

Significant advances were made on all objectives of the research program. We have developed fast multiresolution methods for performing electronic structure calculations with emphasis on constructing efficient representations of functions and operators. We extended our approach to problems of scattering in solids, i.e. constructing fast algorithms for computing above the Fermi energy level. Part of the work was done in collaboration with Robert Harrison and George Fann at ORNL. Specific results (in part supported by this grant) are listed here and are described in greater detail. (1) We have implemented a fast algorithm to apply the Green's function for themore » free space (oscillatory) Helmholtz kernel. The algorithm maintains its speed and accuracy when the kernel is applied to functions with singularities. (2) We have developed a fast algorithm for applying periodic and quasi-periodic, oscillatory Green's functions and those with boundary conditions on simple domains. Importantly, the algorithm maintains its speed and accuracy when applied to functions with singularities. (3) We have developed a fast algorithm for obtaining and applying multiresolution representations of periodic and quasi-periodic Green's functions and Green's functions with boundary conditions on simple domains. (4) We have implemented modifications to improve the speed of adaptive multiresolution algorithms for applying operators which are represented via a Gaussian expansion. (5) We have constructed new nearly optimal quadratures for the sphere that are invariant under the icosahedral rotation group. (6) We obtained new results on approximation of functions by exponential sums and/or rational functions, one of the key methods that allows us to construct separated representations for Green's functions. (7) We developed a new fast and accurate reduction algorithm for obtaining optimal approximation of functions by exponential sums and/or their rational representations.« less

Hybrid Quantum-Classical Approach to Quantum Optimal Control.

PubMed

Li, Jun; Yang, Xiaodong; Peng, Xinhua; Sun, Chang-Pu

2017-04-14

A central challenge in quantum computing is to identify more computational problems for which utilization of quantum resources can offer significant speedup. Here, we propose a hybrid quantum-classical scheme to tackle the quantum optimal control problem. We show that the most computationally demanding part of gradient-based algorithms, namely, computing the fitness function and its gradient for a control input, can be accomplished by the process of evolution and measurement on a quantum simulator. By posing queries to and receiving answers from the quantum simulator, classical computing devices update the control parameters until an optimal control solution is found. To demonstrate the quantum-classical scheme in experiment, we use a seven-qubit nuclear magnetic resonance system, on which we have succeeded in optimizing state preparation without involving classical computation of the large Hilbert space evolution.

Post-Optimality Analysis In Aerospace Vehicle Design

NASA Technical Reports Server (NTRS)

Braun, Robert D.; Kroo, Ilan M.; Gage, Peter J.

1993-01-01

This analysis pertains to the applicability of optimal sensitivity information to aerospace vehicle design. An optimal sensitivity (or post-optimality) analysis refers to computations performed once the initial optimization problem is solved. These computations may be used to characterize the design space about the present solution and infer changes in this solution as a result of constraint or parameter variations, without reoptimizing the entire system. The present analysis demonstrates that post-optimality information generated through first-order computations can be used to accurately predict the effect of constraint and parameter perturbations on the optimal solution. This assessment is based on the solution of an aircraft design problem in which the post-optimality estimates are shown to be within a few percent of the true solution over the practical range of constraint and parameter variations. Through solution of a reusable, single-stage-to-orbit, launch vehicle design problem, this optimal sensitivity information is also shown to improve the efficiency of the design process, For a hierarchically decomposed problem, this computational efficiency is realized by estimating the main-problem objective gradient through optimal sep&ivity calculations, By reducing the need for finite differentiation of a re-optimized subproblem, a significant decrease in the number of objective function evaluations required to reach the optimal solution is obtained.

Highly accurate bound state calculations of the two-center molecular ions by using the universal variational expansion for three-body systems

NASA Astrophysics Data System (ADS)

Frolov, Alexei M.

2018-03-01

The universal variational expansion for the non-relativistic three-body systems is explicitly constructed. This universal expansion can be used to perform highly accurate numerical computations of the bound state spectra in various three-body systems, including Coulomb three-body systems with arbitrary particle masses and electric charges. Our main interest is related to the adiabatic three-body systems which contain one bound electron and two heavy nuclei of hydrogen isotopes: the protium p, deuterium d and tritium t. We also consider the analogous (model) hydrogen ion ∞H2+ with the two infinitely heavy nuclei.

Cylinder Expansion Experiments and Measured Product Isentropes for XTX-8004 Explosive

NASA Astrophysics Data System (ADS)

Jackson, Scott

2015-06-01

We present cylinder expansion data from full-scale (25.4-mm inner diameter) and half-scale (12.7-mm inner diameter) experiments with XTX-8004 explosive, composed of 80% RDX explosive and 20% Sylgard 182 silicone elastomer. An analytic method is reviewed and used to recover detonation product isentropes from the experimental data, which are presented in the standard JWL form. The cylinder expansion data was found to scale well, indicating ideal detonation behavior across the test scales. The analytically determined product JWLs were found to agree well with those produced via iterative hydrocode methods, but required significantly less computational effort.

A program for calculating expansion-tube flow quantities for real-gas mixtures and comparison with experimental results

NASA Technical Reports Server (NTRS)

Miller, C. G., III

1972-01-01

A computer program written in FORTRAN 4 language is presented which determines expansion-tube flow quantities for real test gases CO2 N2, O2, Ar, He, and H2, or mixtures of these gases, in thermochemical equilibrium. The effects of dissociation and first and second ionization are included. Flow quantities behind the incident shock into the quiescent test gas are determined from the pressure and temperature of the quiescent test gas in conjunction with: (1) incident-shock velocity, (2) static pressure immediately behind the incident shock, or (3) pressure and temperature of the driver gas (imperfect hydrogen or helium). The effect of the possible existence of a shock reflection at the secondary diaphragm of the expansion tube is included. Expansion-tube test-section flow conditions are obtained by performing an isentropic unsteady expansion from the conditions behind the incident shock or reflected shock to either the test-region velocity or the static pressure. Both a thermochemical-equilibrium expansion and a frozen expansion are included. Flow conditions immediately behind the bow shock of a model positioned at the test section are also determined. Results from the program are compared with preliminary experimental data obtained in the Langley 6-inch expansion tube.

A molecular theory for optimal blue energy extraction by electrical double layer expansion

DOE PAGES

Kong, Xian; Gallegos, Alejandro; Lu, Diannan; ...

2015-08-19

We proposed the electrical double layer expansion (CDLE) as a promising alternative to reverse electrodialysis (RED) and pressure retarded osmosis (PRO) processes for extracting osmotic power generated by the salinity difference between freshwater and seawater. The performance of the CDLE process is sensitive to the configuration of porous electrodes and operation parameters for ion extraction and release cycles. In our work, we use a classical density functional theory (CDFT) to examine how the electrode pore size and charging/discharging potentials influence the thermodynamic efficiency of the CDLE cycle. The existence of an optimal charging potential that maximizes the energy output formore » a given pore configuration is predicted, which varies substantially with the pore size, especially when it is smaller than 2 nm. Finally, the thermodynamic efficiency is maximized when the electrode has a pore size about twice the ion diameter.« less

Hyperswitch Communication Network Computer

NASA Technical Reports Server (NTRS)

Peterson, John C.; Chow, Edward T.; Priel, Moshe; Upchurch, Edwin T.

1993-01-01

Hyperswitch Communications Network (HCN) computer is prototype multiple-processor computer being developed. Incorporates improved version of hyperswitch communication network described in "Hyperswitch Network For Hypercube Computer" (NPO-16905). Designed to support high-level software and expansion of itself. HCN computer is message-passing, multiple-instruction/multiple-data computer offering significant advantages over older single-processor and bus-based multiple-processor computers, with respect to price/performance ratio, reliability, availability, and manufacturing. Design of HCN operating-system software provides flexible computing environment accommodating both parallel and distributed processing. Also achieves balance among following competing factors; performance in processing and communications, ease of use, and tolerance of (and recovery from) faults.

Microcanonical-ensemble computer simulation of the high-temperature expansion coefficients of the Helmholtz free energy of a square-well fluid

NASA Astrophysics Data System (ADS)

Sastre, Francisco; Moreno-Hilario, Elizabeth; Sotelo-Serna, Maria Guadalupe; Gil-Villegas, Alejandro

2018-02-01

The microcanonical-ensemble computer simulation method (MCE) is used to evaluate the perturbation terms Ai of the Helmholtz free energy of a square-well (SW) fluid. The MCE method offers a very efficient and accurate procedure for the determination of perturbation terms of discrete-potential systems such as the SW fluid and surpass the standard NVT canonical ensemble Monte Carlo method, allowing the calculation of the first six expansion terms. Results are presented for the case of a SW potential with attractive ranges 1.1 ≤ λ ≤ 1.8. Using semi-empirical representation of the MCE values for Ai, we also discuss the accuracy in the determination of the phase diagram of this system.

A subtraction scheme for computing QCD jet cross sections at NNLO: integrating the iterated singly-unresolved subtraction terms

NASA Astrophysics Data System (ADS)

Bolzoni, Paolo; Somogyi, Gábor; Trócsányi, Zoltán

2011-01-01

We perform the integration of all iterated singly-unresolved subtraction terms, as defined in ref. [1], over the two-particle factorized phase space. We also sum over the unresolved parton flavours. The final result can be written as a convolution (in colour space) of the Born cross section and an insertion operator. We spell out the insertion operator in terms of 24 basic integrals that are defined explicitly. We compute the coefficients of the Laurent expansion of these integrals in two different ways, with the method of Mellin-Barnes representations and sector decomposition. Finally, we present the Laurent-expansion of the full insertion operator for the specific examples of electron-positron annihilation into two and three jets.

8760-Based Method for Representing Variable Generation Capacity Value in Capacity Expansion Models: Preprint

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

Frew, Bethany A; Cole, Wesley J; Sun, Yinong

Capacity expansion models (CEMs) are widely used to evaluate the least-cost portfolio of electricity generators, transmission, and storage needed to reliably serve demand over the evolution of many years or decades. Various CEM formulations are used to evaluate systems ranging in scale from states or utility service territories to national or multi-national systems. CEMs can be computationally complex, and to achieve acceptable solve times, key parameters are often estimated using simplified methods. In this paper, we focus on two of these key parameters associated with the integration of variable generation (VG) resources: capacity value and curtailment. We first discuss commonmore » modeling simplifications used in CEMs to estimate capacity value and curtailment, many of which are based on a representative subset of hours that can miss important tail events or which require assumptions about the load and resource distributions that may not match actual distributions. We then present an alternate approach that captures key elements of chronological operation over all hours of the year without the computationally intensive economic dispatch optimization typically employed within more detailed operational models. The updated methodology characterizes the (1) contribution of VG to system capacity during high load and net load hours, (2) the curtailment level of VG, and (3) the potential reductions in curtailments enabled through deployment of storage and more flexible operation of select thermal generators. We apply this alternate methodology to an existing CEM, the Regional Energy Deployment System (ReEDS). Results demonstrate that this alternate approach provides more accurate estimates of capacity value and curtailments by explicitly capturing system interactions across all hours of the year. This approach could be applied more broadly to CEMs at many different scales where hourly resource and load data is available, greatly improving the representation of challenges associate with integration of variable generation resources.« less

Computational Studies of Magnetic Nozzle Performance

NASA Technical Reports Server (NTRS)

Ebersohn, Frans H.; Longmier, Benjamin W.; Sheehan, John P.; Shebalin, John B.; Raja, Laxminarayan

2013-01-01

An extensive literature review of magnetic nozzle research has been performed, examining previous work, as well as a review of fundamental principles. This has allow us to catalog all basic physical mechanisms which we believe underlie the thrust generation process. Energy conversion mechanisms include the approximate conservation of the magnetic moment adiabatic invariant, generalized hall and thermoelectric acceleration, swirl acceleration, thermal energy transformation into directed kinetic energy, and Joule heating. Momentum transfer results from the interaction of the applied magnetic field with currents induced in the plasma plume., while plasma detachment mechanisms include resistive diffusion, recombination and charge exchange collisions, magnetic reconnection, loss of adiabaticity, inertial forces, current closure, and self-field detachment. We have performed a preliminary study of Hall effects on magnetic nozzle jets with weak guiding magnetic fields and weak expansions (p(sub jet) approx. = P(sub background)). The conclusion from this study is that the Hall effect creates an azimuthal rotation of the plasma jet and, more generally, creates helical structures in the induced current, velocity field, and magnetic fields. We have studied plasma jet expansion to near vacuum without a guiding magnetic field, and are presently including a guiding magnetic field using a resistive MHD solver. This research is progressing toward the implementation of a full generalized Ohm's law solver. In our paper, we will summarize the basic principle, as well as the literature survey and briefly review our previous results. Our most recent results at the time of submittal will also be included. Efforts are currently underway to construct an experiment at the University of Michigan Plasmadynamics and Electric Propulsion Laboratory (PEPL) to study magnetic nozzle physics for a RF-thruster. Our computational study will work directly with this experiment to validate the numerical model, in order to study magnetic nozzle physics and optimize magnetic nozzle design. Preliminary results from the PEPL experiment will also be presented.

Pupil Science Learning in Resource-Based e-Learning Environments

ERIC Educational Resources Information Center

So, Wing-mui Winnie; Ching, Ngai-ying Fiona

2011-01-01

With the rapid expansion of broadband Internet connection and availability of high performance yet low priced computers, many countries around the world are advocating the adoption of e-learning, the use of computer technology to improve learning and teaching. The trend of e-learning has urged many teachers to incorporate online resources in their…

Range Image Flow using High-Order Polynomial Expansion

DTIC Science & Technology

2013-09-01

included as a default algorithm in the OpenCV library [2]. The research of estimating the motion between range images, or range flow, is much more...Journal of Computer Vision, vol. 92, no. 1, pp. 1‒31. 2. G. Bradski and A. Kaehler. 2008. Learning OpenCV : Computer Vision with the OpenCV Library

Machining fixture layout optimization using particle swarm optimization algorithm

NASA Astrophysics Data System (ADS)

Dou, Jianping; Wang, Xingsong; Wang, Lei

2011-05-01

Optimization of fixture layout (locator and clamp locations) is critical to reduce geometric error of the workpiece during machining process. In this paper, the application of particle swarm optimization (PSO) algorithm is presented to minimize the workpiece deformation in the machining region. A PSO based approach is developed to optimize fixture layout through integrating ANSYS parametric design language (APDL) of finite element analysis to compute the objective function for a given fixture layout. Particle library approach is used to decrease the total computation time. The computational experiment of 2D case shows that the numbers of function evaluations are decreased about 96%. Case study illustrates the effectiveness and efficiency of the PSO based optimization approach.

An H-infinity approach to optimal control of oxygen and carbon dioxide contents in blood

NASA Astrophysics Data System (ADS)

Rigatos, Gerasimos; Siano, Pierluigi; Selisteanu, Dan; Precup, Radu

2016-12-01

Nonlinear H-infinity control is proposed for the regulation of the levels of oxygen and carbon dioxide in the blood of patients undergoing heart surgery and extracorporeal blood circulation. The levels of blood gases are administered through a membrane oxygenator and the control inputs are the externally supplied oxygen, the aggregate gas supply (oxygen plus nitrogen), and the blood flow which is regulated by a blood pump. The proposed control method is based on linearization of the oxygenator's dynamical model through Taylor series expansion and the computation of Jacobian matrices. The local linearization points are defined by the present value of the oxygenator's state vector and the last value of the control input that was exerted on this system. The modelling errors due to linearization are considered as disturbances which are compensated by the robustness of the control loop. Next, for the linearized model of the oxygenator an H-infinity control input is computed at each iteration of the control algorithm through the solution of an algebraic Riccati equation. With the use of Lyapunov stability analysis it is demonstrated that the control scheme satisfies the H-infinity tracking performance criterion, which signifies improved robustness against modelling uncertainty and external disturbances. Moreover, under moderate conditions the asymptotic stability of the control loop is also proven.

Mild anastomotic stenosis in patient-specific CABG model may enhance graft patency: a new hypothesis.

PubMed

Huo, Yunlong; Luo, Tong; Guccione, Julius M; Teague, Shawn D; Tan, Wenchang; Navia, José A; Kassab, Ghassan S

2013-01-01

It is well known that flow patterns at the anastomosis of coronary artery bypass graft (CABG) are complex and may affect the long-term patency. Various attempts at optimal designs of anastomosis have not improved long-term patency. Here, we hypothesize that mild anastomotic stenosis (area stenosis of about 40-60%) may be adaptive to enhance the hemodynamic conditions, which may contribute to slower progression of atherosclerosis. We further hypothesize that proximal/distal sites to the stenosis have converse changes that may be a risk factor for the diffuse expansion of atherosclerosis from the site of stenosis. Twelve (12) patient-specific models with various stenotic degrees were extracted from computed tomography images using a validated segmentation software package. A 3-D finite element model was used to compute flow patterns including wall shear stress (WSS) and its spatial and temporal gradients (WSS gradient, WSSG, and oscillatory shear index, OSI). The flow simulations showed that mild anastomotic stenosis significantly increased WSS (>15 dynes · cm(-2)) and decreased OSI (<0.02) to result in a more uniform distribution of hemodynamic parameters inside anastomosis albeit proximal/distal sites to the stenosis have a decrease of WSS (<4 dynes · cm(-2)). These findings have significant implications for graft adaptation and long-term patency.

Inverse problem analysis for identification of reaction kinetics constants in microreactors for biodiesel synthesis

NASA Astrophysics Data System (ADS)

Pontes, P. C.; Naveira-Cotta, C. P.

2016-09-01

The theoretical analysis for the design of microreactors in biodiesel production is a complicated task due to the complex liquid-liquid flow and mass transfer processes, and the transesterification reaction that takes place within these microsystems. Thus, computational simulation is an important tool that aids in understanding the physical-chemical phenomenon and, consequently, in determining the suitable conditions that maximize the conversion of triglycerides during the biodiesel synthesis. A diffusive-convective-reactive coupled nonlinear mathematical model, that governs the mass transfer process during the transesterification reaction in parallel plates microreactors, under isothermal conditions, is here described. A hybrid numerical-analytical solution via the Generalized Integral Transform Technique (GITT) for this partial differential system is developed and the eigenfunction expansions convergence rates are extensively analyzed and illustrated. The heuristic method of Particle Swarm Optimization (PSO) is applied in the inverse analysis of the proposed direct problem, to estimate the reaction kinetics constants, which is a critical step in the design of such microsystems. The results present a good agreement with the limited experimental data in the literature, but indicate that the GITT methodology combined with the PSO approach provide a reliable computational algorithm for direct-inverse analysis in such reactive mass transfer problems.

Absolute Configuration of 3-METHYLCYCLOHEXANONE by Chiral Tag Rotational Spectroscopy and Vibrational Circular Dichroism

NASA Astrophysics Data System (ADS)

Evangelisti, Luca; Holdren, Martin S.; Mayer, Kevin J.; Smart, Taylor; West, Channing; Pate, Brooks

2017-06-01

The absolute configuration of 3-methylcyclohexanone was established by chiral tag rotational spectroscopy measurements using 3-butyn-2-ol as the tag partner. This molecule was chosen because it is a benchmark measurement for vibrational circular dichroism (VCD). A comparison of the analysis approaches of chiral tag rotational spectroscopy and VCD will be presented. One important issue in chiral analysis by both methods is the conformational flexibility of the molecule being analyzed. The analysis of conformational composition of samples will be illustrated. In this case, the high spectral resolution of molecular rotational spectroscopy and potential for spectral simplification by conformational cooling in the pulsed jet expansion are advantages for chiral tag spectroscopy. The computational chemistry requirements for the two methods will also be discussed. In this case, the need to perform conformer searches for weakly bound complexes and to perform reasonably high level quantum chemistry geometry optimizations on these complexes makes the computational time requirements less favorable for chiral tag rotational spectroscopy. Finally, the issue of reliability of the determination of the absolute configuration will be considered. In this case, rotational spectroscopy offers a "gold standard" analysis method through the determination of the ^{13}C-subsitution structure of the complex between 3-methylcyclohexanone and an enantiopure sample of the 3-butyn-2-ol tag.

Parameterizing the Variability and Uncertainty of Wind and Solar in CEMs

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

Frew, Bethany

We present current and improved methods for estimating the capacity value and curtailment impacts from variable generation (VG) in capacity expansion models (CEMs). The ideal calculation of these variability metrics is through an explicit co-optimized investment-dispatch model using multiple years of VG and load data. Because of data and computational limitations, existing CEMs typically approximate these metrics using a subset of all hours from a single year and/or using statistical methods, which often do not capture the tail-event impacts or the broader set of interactions between VG, storage, and conventional generators. In our proposed new methods, we use hourly generationmore » and load values across all hours of the year to characterize the (1) contribution of VG to system capacity during high load hours, (2) the curtailment level of VG, and (3) the reduction in VG curtailment due to storage and shutdown of select thermal generators. Using CEM model outputs from a preceding model solve period, we apply these methods to exogenously calculate capacity value and curtailment metrics for the subsequent model solve period. Preliminary results suggest that these hourly methods offer improved capacity value and curtailment representations of VG in the CEM from existing approximation methods without additional computational burdens.« less

Capacity Expansion Modeling for Storage Technologies

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

Hale, Elaine; Stoll, Brady; Mai, Trieu

2017-04-03

The Resource Planning Model (RPM) is a capacity expansion model designed for regional power systems and high levels of renewable generation. Recent extensions capture value-stacking for storage technologies, including batteries and concentrating solar power with storage. After estimating per-unit capacity value and curtailment reduction potential, RPM co-optimizes investment decisions and reduced-form dispatch, accounting for planning reserves; energy value, including arbitrage and curtailment reduction; and three types of operating reserves. Multiple technology cost scenarios are analyzed to determine level of deployment in the Western Interconnection under various conditions.

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

Lazkoz, Ruth; Escamilla-Rivera, Celia; Salzano, Vincenzo

Cosmography provides a model-independent way to map the expansion history of the Universe. In this paper we simulate a Euclid-like survey and explore cosmographic constraints from future Baryonic Acoustic Oscillations (BAO) observations. We derive general expressions for the BAO transverse and radial modes and discuss the optimal order of the cosmographic expansion that provides reliable cosmological constraints. Through constraints on the deceleration and jerk parameters, we show that future BAO data have the potential to provide a model-independent check of the cosmic acceleration as well as a discrimination between the standard ΛCDM model and alternative mechanisms of cosmic acceleration.

Novel infrared detector based on a tunneling displacement transducer

NASA Technical Reports Server (NTRS)

Kenny, T. W.; Kaiser, W. J.; Waltman, S. B.; Reynolds, J. K.

1991-01-01

The paper describes the design, fabrication, and characteristics of a novel infrared detector based on the principle of Golay's (1947) pneumatic infrared detector, which uses the expansion of a gas to detect infrared radiation. The present detector is constructed entirely from micromachined silicon and uses an electron tunneling displacement transducer for the detection of gas expansion. The sensitivity of the new detector is competitive with the best commercial pyroelectric sensors and can be readily improved by an order of magnitude through the use of an optimized transducer.

Optimization of the SHX Fusion Powered Transatmospheric Propulsion Concept

NASA Technical Reports Server (NTRS)

Adams, Robert B.; Landrum, D. Brian

2001-01-01

Existing propulsion technology has not achieved cost effective payload delivery rates to low earth orbit. A fusion based propulsion system, denoted as the Simultaneous Heating and eXpansion (SHX) engine, has been proposed in earlier papers. The SHX couples energy generated by a fusion reactor to the engine flowpath by use of coherent beam emitters. A quasi-one-dimensional flow model was used to quantify the effects of area expansion and energy input on propulsive efficiency for several beam models. Entropy calculations were included to evaluate the lost work in the system.

Polarizable atomic multipole X-ray refinement: application to peptide crystals

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

Schnieders, Michael J.; Fenn, Timothy D.; Howard Hughes Medical Institute

2009-09-01

A method to accelerate the computation of structure factors from an electron density described by anisotropic and aspherical atomic form factors via fast Fourier transformation is described for the first time. Recent advances in computational chemistry have produced force fields based on a polarizable atomic multipole description of biomolecular electrostatics. In this work, the Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force field is applied to restrained refinement of molecular models against X-ray diffraction data from peptide crystals. A new formalism is also developed to compute anisotropic and aspherical structure factors using fast Fourier transformation (FFT) of Cartesian Gaussianmore » multipoles. Relative to direct summation, the FFT approach can give a speedup of more than an order of magnitude for aspherical refinement of ultrahigh-resolution data sets. Use of a sublattice formalism makes the method highly parallelizable. Application of the Cartesian Gaussian multipole scattering model to a series of four peptide crystals using multipole coefficients from the AMOEBA force field demonstrates that AMOEBA systematically underestimates electron density at bond centers. For the trigonal and tetrahedral bonding geometries common in organic chemistry, an atomic multipole expansion through hexadecapole order is required to explain bond electron density. Alternatively, the addition of interatomic scattering (IAS) sites to the AMOEBA-based density captured bonding effects with fewer parameters. For a series of four peptide crystals, the AMOEBA–IAS model lowered R{sub free} by 20–40% relative to the original spherically symmetric scattering model.« less

Forward modelling of global gravity fields with 3D density structures and an application to the high-resolution ( 2 km) gravity fields of the Moon

NASA Astrophysics Data System (ADS)

Šprlák, M.; Han, S.-C.; Featherstone, W. E.

2017-12-01

Rigorous modelling of the spherical gravitational potential spectra from the volumetric density and geometry of an attracting body is discussed. Firstly, we derive mathematical formulas for the spatial analysis of spherical harmonic coefficients. Secondly, we present a numerically efficient algorithm for rigorous forward modelling. We consider the finite-amplitude topographic modelling methods as special cases, with additional postulates on the volumetric density and geometry. Thirdly, we implement our algorithm in the form of computer programs and test their correctness with respect to the finite-amplitude topography routines. For this purpose, synthetic and realistic numerical experiments, applied to the gravitational field and geometry of the Moon, are performed. We also investigate the optimal choice of input parameters for the finite-amplitude modelling methods. Fourth, we exploit the rigorous forward modelling for the determination of the spherical gravitational potential spectra inferred by lunar crustal models with uniform, laterally variable, radially variable, and spatially (3D) variable bulk density. Also, we analyse these four different crustal models in terms of their spectral characteristics and band-limited radial gravitation. We demonstrate applicability of the rigorous forward modelling using currently available computational resources up to degree and order 2519 of the spherical harmonic expansion, which corresponds to a resolution of 2.2 km on the surface of the Moon. Computer codes, a user manual and scripts developed for the purposes of this study are publicly available to potential users.

Computer Modeling of Ceramic Boride Composites

DTIC Science & Technology

2014-11-01

the reinforcer deform elastically, for the theoretical strength of the composite it can be written [46] BBBAAABBAAK EE δεδεσδσδσ +=+= (51) where...coefficients of thermal expansion. Approximately linear expansion coefficient of the composite is determined by the relation [52] EEE BBBAAAk...1 δαδαα ⋅+⋅= , (58) where AE and BE are Young moduli of components, and E – average modulus for composition BBAA EEE δδ

Large distance expansion of mutual information for disjoint disks in a free scalar theory

DOE PAGES

Agón, Cesar A.; Cohen-Abbo, Isaac; Schnitzer, Howard J.

2016-11-11

We compute the next-to-leading order term in the long-distance expansion of the mutual information for free scalars in three space-time dimensions. The geometry considered is two disjoint disks separated by a distance r between their centers. No evidence for non-analyticity in the Rényi parameter n for the continuation n → 1 in the next-to-leading order term is found.

Computational Investigation of Structured Shocks in Al/SiC-Particulate Metal-Matrix Composites

DTIC Science & Technology

2011-06-01

used to implement the dynamic-mixture model into the VUMAT user-material subroutine of ABAQUS /Explicit. Owing to the attendant large strains and...that the residual thermal - expansion effects are more pronounced in the aluminium-matrix than in SiC-particulates. This finding is consistent with the...simple waves (CSWs) (Davison, 2008). . In accordance with the previously observed larger thermal - expansion effects in Al, Figure 5(b) shows that the

Asymptotic matching by the symbolic manipulator MACSYMA

NASA Technical Reports Server (NTRS)

Lo, L. L.

1985-01-01

The delegation of the labor of calculating higher-order terms in singular perturbation (SP) expansions to a computer by the use of MACSYMA is considered. The method of matched asymptotic expansions is studied in detail for two model SP problems: a model resembling the boundary layer equation with a small parameter multiplying the highest derivatives; and a turning-point problem. It is shown that MACSYMA has successfully performed the higher-order matching in both problems.

Variable-Complexity Multidisciplinary Optimization on Parallel Computers

NASA Technical Reports Server (NTRS)

Grossman, Bernard; Mason, William H.; Watson, Layne T.; Haftka, Raphael T.

1998-01-01

This report covers work conducted under grant NAG1-1562 for the NASA High Performance Computing and Communications Program (HPCCP) from December 7, 1993, to December 31, 1997. The objective of the research was to develop new multidisciplinary design optimization (MDO) techniques which exploit parallel computing to reduce the computational burden of aircraft MDO. The design of the High-Speed Civil Transport (HSCT) air-craft was selected as a test case to demonstrate the utility of our MDO methods. The three major tasks of this research grant included: development of parallel multipoint approximation methods for the aerodynamic design of the HSCT, use of parallel multipoint approximation methods for structural optimization of the HSCT, mathematical and algorithmic development including support in the integration of parallel computation for items (1) and (2). These tasks have been accomplished with the development of a response surface methodology that incorporates multi-fidelity models. For the aerodynamic design we were able to optimize with up to 20 design variables using hundreds of expensive Euler analyses together with thousands of inexpensive linear theory simulations. We have thereby demonstrated the application of CFD to a large aerodynamic design problem. For the predicting structural weight we were able to combine hundreds of structural optimizations of refined finite element models with thousands of optimizations based on coarse models. Computations have been carried out on the Intel Paragon with up to 128 nodes. The parallel computation allowed us to perform combined aerodynamic-structural optimization using state of the art models of a complex aircraft configurations.

Prediction and Observation of Post-Admission Hematoma Expansion in Patients with Intracerebral Hemorrhage

PubMed Central

Ovesen, Christian; Havsteen, Inger; Rosenbaum, Sverre; Christensen, Hanne

2014-01-01

Post-admission hematoma expansion in patients with intracerebral hemorrhage (ICH) comprises a simultaneous major clinical problem and a possible target for medical intervention. In any case, the ability to predict and observe hematoma expansion is of great clinical importance. We review radiological concepts in predicting and observing post-admission hematoma expansion. Hematoma expansion can be observed within the first 24 h after symptom onset, but predominantly occurs in the early hours. Thus capturing markers of on-going bleeding on imaging techniques could predict hematoma expansion. The spot sign observed on computed tomography angiography is believed to represent on-going bleeding and is to date the most well investigated and reliable radiological predictor of hematoma expansion as well as functional outcome and mortality. On non-contrast CT, the presence of foci of hypoattenuation within the hematoma along with the hematoma-size is reported to be predictive of hematoma expansion and outcome. Because patients tend to arrive earlier to the hospital, a larger fraction of acute ICH-patients must be expected to undergo hematoma expansion. This renders observation and radiological follow-up investigations increasingly relevant. Transcranial duplex sonography has in recent years proven to be able to estimate hematoma volume with good precision and could be a valuable tool in bedside serial observation of acute ICH-patients. Future studies will elucidate, if better prediction and observation of post-admission hematoma expansion can help select patients, who will benefit from hemostatic treatment. PMID:25324825

Medicaid expansion under the Affordable Care Act. Implications for insurance-related disparities in pulmonary, critical care, and sleep.

PubMed

Lyon, Sarah M; Douglas, Ivor S; Cooke, Colin R

2014-05-01

The Affordable Care Act was intended to address systematic health inequalities for millions of Americans who lacked health insurance. Expansion of Medicaid was a key component of the legislation, as it was expected to provide coverage to low-income individuals, a population at greater risk for disparities in access to the health care system and in health outcomes. Several studies suggest that expansion of Medicaid can reduce insurance-related disparities, creating optimism surrounding the potential impact of the Affordable Care Act on the health of the poor. However, several impediments to the implementation of Medicaid's expansion and inadequacies within the Medicaid program itself will lessen its initial impact. In particular, the Supreme Court's decision to void the Affordable Care Act's mandate requiring all states to accept the Medicaid expansion allowed half of the states to forego coverage expansion, leaving millions of low-income individuals without insurance. Moreover, relative to many private plans, Medicaid is an imperfect program suffering from lower reimbursement rates, fewer covered services, and incomplete acceptance by preventive and specialty care providers. These constraints will reduce the potential impact of the expansion for patients with respiratory and sleep conditions or critical illness. Despite its imperfections, the more than 10 million low-income individuals who gain insurance as a result of Medicaid expansion will likely have increased access to health care, reduced out-of-pocket health care spending, and ultimately improvements in their overall health.

A Computational/Experimental Study of Two Optimized Supersonic Transport Designs and the Reference H Baseline

NASA Technical Reports Server (NTRS)

Cliff, Susan E.; Baker, Timothy J.; Hicks, Raymond M.; Reuther, James J.

1999-01-01

Two supersonic transport configurations designed by use of non-linear aerodynamic optimization methods are compared with a linearly designed baseline configuration. One optimized configuration, designated Ames 7-04, was designed at NASA Ames Research Center using an Euler flow solver, and the other, designated Boeing W27, was designed at Boeing using a full-potential method. The two optimized configurations and the baseline were tested in the NASA Langley Unitary Plan Supersonic Wind Tunnel to evaluate the non-linear design optimization methodologies. In addition, the experimental results are compared with computational predictions for each of the three configurations from the Enter flow solver, AIRPLANE. The computational and experimental results both indicate moderate to substantial performance gains for the optimized configurations over the baseline configuration. The computed performance changes with and without diverters and nacelles were in excellent agreement with experiment for all three models. Comparisons of the computational and experimental cruise drag increments for the optimized configurations relative to the baseline show excellent agreement for the model designed by the Euler method, but poorer comparisons were found for the configuration designed by the full-potential code.

Heterogeneous database integration in biomedicine.

PubMed

Sujansky, W

2001-08-01

The rapid expansion of biomedical knowledge, reduction in computing costs, and spread of internet access have created an ocean of electronic data. The decentralized nature of our scientific community and healthcare system, however, has resulted in a patchwork of diverse, or heterogeneous, database implementations, making access to and aggregation of data across databases very difficult. The database heterogeneity problem applies equally to clinical data describing individual patients and biological data characterizing our genome. Specifically, databases are highly heterogeneous with respect to the data models they employ, the data schemas they specify, the query languages they support, and the terminologies they recognize. Heterogeneous database systems attempt to unify disparate databases by providing uniform conceptual schemas that resolve representational heterogeneities, and by providing querying capabilities that aggregate and integrate distributed data. Research in this area has applied a variety of database and knowledge-based techniques, including semantic data modeling, ontology definition, query translation, query optimization, and terminology mapping. Existing systems have addressed heterogeneous database integration in the realms of molecular biology, hospital information systems, and application portability.

Fast function-on-scalar regression with penalized basis expansions.

PubMed

Reiss, Philip T; Huang, Lei; Mennes, Maarten

2010-01-01

Regression models for functional responses and scalar predictors are often fitted by means of basis functions, with quadratic roughness penalties applied to avoid overfitting. The fitting approach described by Ramsay and Silverman in the 1990 s amounts to a penalized ordinary least squares (P-OLS) estimator of the coefficient functions. We recast this estimator as a generalized ridge regression estimator, and present a penalized generalized least squares (P-GLS) alternative. We describe algorithms by which both estimators can be implemented, with automatic selection of optimal smoothing parameters, in a more computationally efficient manner than has heretofore been available. We discuss pointwise confidence intervals for the coefficient functions, simultaneous inference by permutation tests, and model selection, including a novel notion of pointwise model selection. P-OLS and P-GLS are compared in a simulation study. Our methods are illustrated with an analysis of age effects in a functional magnetic resonance imaging data set, as well as a reanalysis of a now-classic Canadian weather data set. An R package implementing the methods is publicly available.

Electron transport in nano-scaled piezoelectronic devices

NASA Astrophysics Data System (ADS)

Jiang, Zhengping; Kuroda, Marcelo A.; Tan, Yaohua; Newns, Dennis M.; Povolotskyi, Michael; Boykin, Timothy B.; Kubis, Tillmann; Klimeck, Gerhard; Martyna, Glenn J.

2013-05-01

The Piezoelectronic Transistor (PET) has been proposed as a post-CMOS device for fast, low-power switching. In this device, the piezoresistive channel is metalized via the expansion of a relaxor piezoelectric element to turn the device on. The mixed-valence compound SmSe is a good choice of PET channel material because of its isostructural pressure-induced continuous metal insulator transition, which is well characterized in bulk single crystals. Prediction and optimization of the performance of a realistic, nano-scaled PET based on SmSe requires the understanding of quantum confinement, tunneling, and the effect of metal interface. In this work, a computationally efficient empirical tight binding (ETB) model is developed for SmSe to study quantum transport in these systems and the scaling limit of PET channel lengths. Modulation of the SmSe band gap under pressure is successfully captured by ETB, and ballistic conductance shows orders of magnitude change under hydrostatic strain, supporting operability of the PET device at nanoscale.

Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).

PubMed

Batiste, Laurent; Unzue, Andrea; Dolbois, Aymeric; Hassler, Fabrice; Wang, Xuan; Deerain, Nicholas; Zhu, Jian; Spiliotopoulos, Dimitrios; Nevado, Cristina; Caflisch, Amedeo

2018-02-28

Expanding the chemical space and simultaneously ensuring synthetic accessibility is of upmost importance, not only for the discovery of effective binders for novel protein classes but, more importantly, for the development of compounds against hard-to-drug proteins. Here, we present AutoCouple, a de novo approach to computational ligand design focused on the diversity-oriented generation of chemical entities via virtual couplings. In a benchmark application, chemically diverse compounds with low-nanomolar potency for the CBP bromodomain and high selectivity against the BRD4(1) bromodomain were achieved by the synthesis of about 50 derivatives of the original fragment. The binding mode was confirmed by X-ray crystallography, target engagement in cells was demonstrated, and antiproliferative activity was showcased in three cancer cell lines. These results reveal AutoCouple as a useful in silico coupling method to expand the chemical space in hit optimization campaigns resulting in potent, selective, and cell permeable bromodomain ligands.

Sequential experimental design based generalised ANOVA

NASA Astrophysics Data System (ADS)

Chakraborty, Souvik; Chowdhury, Rajib

2016-07-01

Over the last decade, surrogate modelling technique has gained wide popularity in the field of uncertainty quantification, optimization, model exploration and sensitivity analysis. This approach relies on experimental design to generate training points and regression/interpolation for generating the surrogate. In this work, it is argued that conventional experimental design may render a surrogate model inefficient. In order to address this issue, this paper presents a novel distribution adaptive sequential experimental design (DA-SED). The proposed DA-SED has been coupled with a variant of generalised analysis of variance (G-ANOVA), developed by representing the component function using the generalised polynomial chaos expansion. Moreover, generalised analytical expressions for calculating the first two statistical moments of the response, which are utilized in predicting the probability of failure, have also been developed. The proposed approach has been utilized in predicting probability of failure of three structural mechanics problems. It is observed that the proposed approach yields accurate and computationally efficient estimate of the failure probability.

Sequential experimental design based generalised ANOVA

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

Chakraborty, Souvik, E-mail: csouvik41@gmail.com; Chowdhury, Rajib, E-mail: rajibfce@iitr.ac.in

Over the last decade, surrogate modelling technique has gained wide popularity in the field of uncertainty quantification, optimization, model exploration and sensitivity analysis. This approach relies on experimental design to generate training points and regression/interpolation for generating the surrogate. In this work, it is argued that conventional experimental design may render a surrogate model inefficient. In order to address this issue, this paper presents a novel distribution adaptive sequential experimental design (DA-SED). The proposed DA-SED has been coupled with a variant of generalised analysis of variance (G-ANOVA), developed by representing the component function using the generalised polynomial chaos expansion. Moreover,more » generalised analytical expressions for calculating the first two statistical moments of the response, which are utilized in predicting the probability of failure, have also been developed. The proposed approach has been utilized in predicting probability of failure of three structural mechanics problems. It is observed that the proposed approach yields accurate and computationally efficient estimate of the failure probability.« less

Computer-Assisted Traffic Engineering Using Assignment, Optimal Signal Setting, and Modal Split

DOT National Transportation Integrated Search

1978-05-01

Methods of traffic assignment, traffic signal setting, and modal split analysis are combined in a set of computer-assisted traffic engineering programs. The system optimization and user optimization traffic assignments are described. Travel time func...

Reduced-order model for dynamic optimization of pressure swing adsorption processes

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

Agarwal, A.; Biegler, L.; Zitney, S.

2007-01-01

Over the past decades, pressure swing adsorption (PSA) processes have been widely used as energy-efficient gas and liquid separation techniques, especially for high purity hydrogen purification from refinery gases. The separation processes are based on solid-gas equilibrium and operate under periodic transient conditions. Models for PSA processes are therefore multiple instances of partial differential equations (PDEs) in time and space with periodic boundary conditions that link the processing steps together. The solution of this coupled stiff PDE system is governed by steep concentrations and temperature fronts moving with time. As a result, the optimization of such systems for either designmore » or operation represents a significant computational challenge to current differential algebraic equation (DAE) optimization techniques and nonlinear programming algorithms. Model reduction is one approach to generate cost-efficient low-order models which can be used as surrogate models in the optimization problems. The study develops a reduced-order model (ROM) based on proper orthogonal decomposition (POD), which is a low-dimensional approximation to a dynamic PDE-based model. Initially, a representative ensemble of solutions of the dynamic PDE system is constructed by solving a higher-order discretization of the model using the method of lines, a two-stage approach that discretizes the PDEs in space and then integrates the resulting DAEs over time. Next, the ROM method applies the Karhunen-Loeve expansion to derive a small set of empirical eigenfunctions (POD modes) which are used as basis functions within a Galerkin's projection framework to derive a low-order DAE system that accurately describes the dominant dynamics of the PDE system. The proposed method leads to a DAE system of significantly lower order, thus replacing the one obtained from spatial discretization before and making optimization problem computationally-efficient. The method has been applied to the dynamic coupled PDE-based model of a two-bed four-step PSA process for separation of hydrogen from methane. Separate ROMs have been developed for each operating step with different POD modes for each of them. A significant reduction in the order of the number of states has been achieved. The gas-phase mole fraction, solid-state loading and temperature profiles from the low-order ROM and from the high-order simulations have been compared. Moreover, the profiles for a different set of inputs and parameter values fed to the same ROM were compared with the accurate profiles from the high-order simulations. Current results indicate the proposed ROM methodology as a promising surrogate modeling technique for cost-effective optimization purposes. Moreover, deviations from the ROM for different set of inputs and parameters suggest that a recalibration of the model is required for the optimization studies. Results for these will also be presented with the aforementioned results.« less

Experimental Testing and Computational Fluid Dynamics Simulation of Maple Seeds and Performance Analysis as a Wind Turbine

NASA Astrophysics Data System (ADS)

Holden, Jacob R.

Descending maple seeds generate lift to slow their fall and remain aloft in a blowing wind; have the wings of these seeds evolved to descend as slowly as possible? A unique energy balance equation, experimental data, and computational fluid dynamics simulations have all been developed to explore this question from a turbomachinery perspective. The computational fluid dynamics in this work is the first to be performed in the relative reference frame. Maple seed performance has been analyzed for the first time based on principles of wind turbine analysis. Application of the Betz Limit and one-dimensional momentum theory allowed for empirical and computational power and thrust coefficients to be computed for maple seeds. It has been determined that the investigated species of maple seeds perform near the Betz limit for power conversion and thrust coefficient. The power coefficient for a maple seed is found to be in the range of 48-54% and the thrust coefficient in the range of 66-84%. From Betz theory, the stream tube area expansion of the maple seed is necessary for power extraction. Further investigation of computational solutions and mechanical analysis find three key reasons for high maple seed performance. First, the area expansion is driven by maple seed lift generation changing the fluid momentum and requiring area to increase. Second, radial flow along the seed surface is promoted by a sustained leading edge vortex that centrifuges low momentum fluid outward. Finally, the area expansion is also driven by the spanwise area variation of the maple seed imparting a radial force on the flow. These mechanisms result in a highly effective device for the purpose of seed dispersal. However, the maple seed also provides insight into fundamental questions about how turbines can most effectively change the momentum of moving fluids in order to extract useful power or dissipate kinetic energy.

Multidisciplinary High-Fidelity Analysis and Optimization of Aerospace Vehicles. Part 2; Preliminary Results

NASA Technical Reports Server (NTRS)

Walsh, J. L.; Weston, R. P.; Samareh, J. A.; Mason, B. H.; Green, L. L.; Biedron, R. T.

2000-01-01

An objective of the High Performance Computing and Communication Program at the NASA Langley Research Center is to demonstrate multidisciplinary shape and sizing optimization of a complete aerospace vehicle configuration by using high-fidelity finite-element structural analysis and computational fluid dynamics aerodynamic analysis in a distributed, heterogeneous computing environment that includes high performance parallel computing. A software system has been designed and implemented to integrate a set of existing discipline analysis codes, some of them computationally intensive, into a distributed computational environment for the design of a high-speed civil transport configuration. The paper describes both the preliminary results from implementing and validating the multidisciplinary analysis and the results from an aerodynamic optimization. The discipline codes are integrated by using the Java programming language and a Common Object Request Broker Architecture compliant software product. A companion paper describes the formulation of the multidisciplinary analysis and optimization system.

Contribution of future urbanisation expansion to flood risk changes

NASA Astrophysics Data System (ADS)

Bruwier, Martin; Mustafa, Ahmed; Archambeau, Pierre; Erpicum, Sébastien; Pirotton, Michel; Teller, Jacques; Dewals, Benjamin

2016-04-01

The flood risk is expected to increase in the future due to climate change and urban development. Climate change modifies flood hazard and urban development influences exposure and vulnerability to floods. While the influence of climate change on flood risk has been studied widely, the impact of urban development also needs to be considered in a sustainable flood risk management approach. The main goal of this study is the determination of the sensitivity of future flood risk to different urban development scenarios at a relatively short-time horizon in the River Meuse basin in Wallonia (Belgium). From the different scenarios, the expected impact of urban development on flood risk is assessed. Three urban expansion scenarios are developed up to 2030 based on a coupled cellular automata (CA) and agent-based (AB) urban expansion model: (i) business-as-usual, (ii) restrictive and (iii) extreme expansion scenarios. The main factor controlling these scenarios is the future urban land demand. Each urban expansion scenario is developed by considering or not high and/or medium flood hazard zones as a constraint for urban development. To assess the model's performance, it is calibrated for the Meuse River valley (Belgium) to simulate urban expansion between 1990 and 2000. Calibration results are then assessed by comparing the 2000 simulated land-use map and the actual 2000 land-use map. The flood damage estimation for each urban expansion scenario is determined for five flood discharges by overlaying the inundation map resulting from a hydraulic computation and the urban expansion map and by using damage curves and specific prices. The hydraulic model Wolf2D has been extensively validated by comparisons between observations and computational results during flood event .This study focuses only on mobile and immobile prices for urban lands, which are associated to the most severe damages caused by floods along the River Meuse. These findings of this study offers tools to drive urban expansion based on numerous policies visions to mitigate future flood risk along the Meuse River. In particular, we assess the impacts on future flood risk of the prohibition of urban development in high and/or medium flood hazard zones. Acknowledgements The research was funded through the ARC grant for Concerted Research Actions, financed by the Wallonia-Brussels Federation.

Perspective: Stochastic magnetic devices for cognitive computing

NASA Astrophysics Data System (ADS)

Roy, Kaushik; Sengupta, Abhronil; Shim, Yong

2018-06-01

Stochastic switching of nanomagnets can potentially enable probabilistic cognitive hardware consisting of noisy neural and synaptic components. Furthermore, computational paradigms inspired from the Ising computing model require stochasticity for achieving near-optimality in solutions to various types of combinatorial optimization problems such as the Graph Coloring Problem or the Travelling Salesman Problem. Achieving optimal solutions in such problems are computationally exhaustive and requires natural annealing to arrive at the near-optimal solutions. Stochastic switching of devices also finds use in applications involving Deep Belief Networks and Bayesian Inference. In this article, we provide a multi-disciplinary perspective across the stack of devices, circuits, and algorithms to illustrate how the stochastic switching dynamics of spintronic devices in the presence of thermal noise can provide a direct mapping to the computational units of such probabilistic intelligent systems.

Optimal fitting of Gaussian-apodized or under-resolved emission lines in Fourier transform spectra providing new insights on the velocity structure of NGC 6720

NASA Astrophysics Data System (ADS)

Martin, Thomas B.; Prunet, Simon; Drissen, Laurent

2016-12-01

An analysis of the kinematics of NGC 6720 is performed on the commissioning data obtained with SITELLE, the Canada-France-Hawaii Telescope's new imaging Fourier transform spectrometer. In order to measure carefully the small broadening effect of a shell expansion on an unresolved emission line, we have determined a computationally robust implementation of the convolution of a Gaussian with a sinc instrumental line shape which avoids arithmetic overflows. This model can be used to measure line broadening of typically a few km s-1 even at low spectral resolution (R < 5000). We have also designed the corresponding set of Gaussian apodizing functions that are now used by ORBS, the SITELLE's reduction pipeline. We have implemented this model in ORCS, a fitting engine for SITELLE's data, and used it to derive the [S II] density map of the central part of the nebula. The study of the broadening of the [N II] lines shows that the main ring and the central lobe are two different shells with different expansion velocities. We have also derived deep and spatially resolved velocity maps of the halo in [N II] and Hα and found that the brightest bubbles are originating from two bipolar structures with a velocity difference of more than 35 km s-1 lying at the poles of a possibly unique halo shell expanding at a velocity of more than 15 km s-1.

Optimizing future imaging survey of galaxies to confront dark energy and modified gravity models

NASA Astrophysics Data System (ADS)

Yamamoto, Kazuhiro; Parkinson, David; Hamana, Takashi; Nichol, Robert C.; Suto, Yasushi

2007-07-01

We consider the extent to which future imaging surveys of galaxies can distinguish between dark energy and modified gravity models for the origin of the cosmic acceleration. Dynamical dark energy models may have similar expansion rates as models of modified gravity, yet predict different growth of structure histories. We parametrize the cosmic expansion by the two parameters, w0 and wa, and the linear growth rate of density fluctuations by Linder’s γ, independently. Dark energy models generically predict γ≈0.55, while the Dvali-Gabadadze-Porrati (DGP) model γ≈0.68. To determine if future imaging surveys can constrain γ within 20% (or Δγ<0.1), we perform the Fisher matrix analysis for a weak-lensing survey such as the ongoing Hyper Suprime-Cam (HSC) project. Under the condition that the total observation time is fixed, we compute the figure of merit (FoM) as a function of the exposure time texp. We find that the tomography technique effectively improves the FoM, which has a broad peak around texp≃several˜10min; a shallow and wide survey is preferred to constrain the γ parameter. While Δγ<0.1 cannot be achieved by the HSC weak-lensing survey alone, one can improve the constraints by combining with a follow-up spectroscopic survey like Wide-field Fiber-fed Multi-Object Spectrograph (WFMOS) and/or future cosmic microwave background (CMB) observations.

Nonlinear Curve-Fitting Program

NASA Technical Reports Server (NTRS)

Everhart, Joel L.; Badavi, Forooz F.

1989-01-01

Nonlinear optimization algorithm helps in finding best-fit curve. Nonlinear Curve Fitting Program, NLINEAR, interactive curve-fitting routine based on description of quadratic expansion of X(sup 2) statistic. Utilizes nonlinear optimization algorithm calculating best statistically weighted values of parameters of fitting function and X(sup 2) minimized. Provides user with such statistical information as goodness of fit and estimated values of parameters producing highest degree of correlation between experimental data and mathematical model. Written in FORTRAN 77.

Materials and process optimization for dual-shell satellite antenna reflectors

NASA Astrophysics Data System (ADS)

Balaski, Darcy R.; van Oyen, Hans J.; Nissan, Sorin J.

A comprehensive, design-optimization test program was conducted for satellite antenna reflectors composed of two offset paraboloidal Kevlar-reinforced sandwich shells separated by a circular sandwich structure. In addition to standard mechanical properties testing, coefficient of thermal expansion and hygroscopic tests were conducted to predict reflector surface accuracy in the thermal cycling environment of orbital space. Attention was given to the relative placement of components during assembly, in view of reflector surface measurements.

Reconstructing the metric of the local Universe from number counts observations

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

Vallejo, Sergio Andres; Romano, Antonio Enea, E-mail: antonio.enea.romano@cern.ch

Number counts observations available with new surveys such as the Euclid mission will be an important source of information about the metric of the Universe. We compute the low red-shift expansion for the energy density and the density contrast using an exact spherically symmetric solution in presence of a cosmological constant. At low red-shift the expansion is more precise than linear perturbation theory prediction. We then use the local expansion to reconstruct the metric from the monopole of the density contrast. We test the inversion method using numerical calculations and find a good agreement within the regime of validity ofmore » the red-shift expansion. The method could be applied to observational data to reconstruct the metric of the local Universe with a level of precision higher than the one achievable using perturbation theory.« less

Elastic and thermal expansion asymmetry in dense molecular materials.

PubMed

Burg, Joseph A; Dauskardt, Reinhold H

2016-09-01

The elastic modulus and coefficient of thermal expansion are fundamental properties of elastically stiff molecular materials and are assumed to be the same (symmetric) under both tension and compression loading. We show that molecular materials can have a marked asymmetric elastic modulus and coefficient of thermal expansion that are inherently related to terminal chemical groups that limit molecular network connectivity. In compression, terminal groups sterically interact to stiffen the network, whereas in tension they interact less and disconnect the network. The existence of asymmetric elastic and thermal expansion behaviour has fundamental implications for computational approaches to molecular materials modelling and practical implications on the thermomechanical strains and associated elastic stresses. We develop a design space to control the degree of elastic asymmetry in molecular materials, a vital step towards understanding their integration into device technologies.

Stochastic coupled cluster theory: Efficient sampling of the coupled cluster expansion

NASA Astrophysics Data System (ADS)

Scott, Charles J. C.; Thom, Alex J. W.

2017-09-01

We consider the sampling of the coupled cluster expansion within stochastic coupled cluster theory. Observing the limitations of previous approaches due to the inherently non-linear behavior of a coupled cluster wavefunction representation, we propose new approaches based on an intuitive, well-defined condition for sampling weights and on sampling the expansion in cluster operators of different excitation levels. We term these modifications even and truncated selections, respectively. Utilising both approaches demonstrates dramatically improved calculation stability as well as reduced computational and memory costs. These modifications are particularly effective at higher truncation levels owing to the large number of terms within the cluster expansion that can be neglected, as demonstrated by the reduction of the number of terms to be sampled when truncating at triple excitations by 77% and hextuple excitations by 98%.

3D nonrigid registration via optimal mass transport on the GPU.

PubMed

Ur Rehman, Tauseef; Haber, Eldad; Pryor, Gallagher; Melonakos, John; Tannenbaum, Allen

2009-12-01

In this paper, we present a new computationally efficient numerical scheme for the minimizing flow approach for optimal mass transport (OMT) with applications to non-rigid 3D image registration. The approach utilizes all of the gray-scale data in both images, and the optimal mapping from image A to image B is the inverse of the optimal mapping from B to A. Further, no landmarks need to be specified, and the minimizer of the distance functional involved is unique. Our implementation also employs multigrid, and parallel methodologies on a consumer graphics processing unit (GPU) for fast computation. Although computing the optimal map has been shown to be computationally expensive in the past, we show that our approach is orders of magnitude faster then previous work and is capable of finding transport maps with optimality measures (mean curl) previously unattainable by other works (which directly influences the accuracy of registration). We give results where the algorithm was used to compute non-rigid registrations of 3D synthetic data as well as intra-patient pre-operative and post-operative 3D brain MRI datasets.

Empirical Performance Model-Driven Data Layout Optimization and Library Call Selection for Tensor Contraction Expressions

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

Lu, Qingda; Gao, Xiaoyang; Krishnamoorthy, Sriram

Empirical optimizers like ATLAS have been very effective in optimizing computational kernels in libraries. The best choice of parameters such as tile size and degree of loop unrolling is determined by executing different versions of the computation. In contrast, optimizing compilers use a model-driven approach to program transformation. While the model-driven approach of optimizing compilers is generally orders of magnitude faster than ATLAS-like library generators, its effectiveness can be limited by the accuracy of the performance models used. In this paper, we describe an approach where a class of computations is modeled in terms of constituent operations that are empiricallymore » measured, thereby allowing modeling of the overall execution time. The performance model with empirically determined cost components is used to perform data layout optimization together with the selection of library calls and layout transformations in the context of the Tensor Contraction Engine, a compiler for a high-level domain-specific language for expressing computational models in quantum chemistry. The effectiveness of the approach is demonstrated through experimental measurements on representative computations from quantum chemistry.« less

DAKOTA Design Analysis Kit for Optimization and Terascale

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

Adams, Brian M.; Dalbey, Keith R.; Eldred, Michael S.

2010-02-24

The DAKOTA (Design Analysis Kit for Optimization and Terascale Applications) toolkit provides a flexible and extensible interface between simulation codes (computational models) and iterative analysis methods. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the DAKOTA toolkit provides a flexible and extensible problem-solving environment for design and analysis of computational models on high performance computers.A user provides a set of DAKOTA commands in an input file and launches DAKOTA. DAKOTA invokes instances of the computational models, collects their results, and performs systems analyses. DAKOTA contains algorithms for optimization with gradient and nongradient-basedmore » methods; uncertainty quantification with sampling, reliability, polynomial chaos, stochastic collocation, and epistemic methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as hybrid optimization, surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. Services for parallel computing, simulation interfacing, approximation modeling, fault tolerance, restart, and graphics are also included.« less

Electric Vehicle Charging Station Expansion Plans Under Uncertainty

DOT National Transportation Integrated Search

2016-12-01

With the advancement of battery technologies, more electric vehicles are expected to get introduced in the market. The energy needed to run those batteries is enormous. This calls for developing optimization models that help governments plan for ener...

Maxillary Expansion and Mandibular Setback Surgery With and Without Mandibular Anterior Segment Osteotomy to Correct Mandibular Prognathism With Obstructive Sleep Apnea.

PubMed

Han, Jeong Joon; Hong, Dong Hwan; Hwang, Soon Jung

2017-05-01

Mandibular prognathism is usually treated with mandibular setback surgery. However, this approach reduces the pharyngeal airway space, and can aggravate obstructive phenomena in patients with obstructive sleep apnea (OSA). While maxillary expansion is known to lead to an increase in the pharyngeal airway volume (PAS), its effect on the PAS in mandibular setback surgery has not yet been reported. The authors report a surgical approach with maxillary expansion in 2 patients with mandibular prognathism that was accompanied by OSA: maxillary midsagittal expansion with minimum maxillary advancement and minor mandibular setback without mandibular anterior segmental osteotomy (ASO) or major mandibular setback with mandibular ASO. Preoperative and postoperative computed tomography and polysomnography indicated that OSA was improved and pharyngeal airway space was increased or sustained, and the prognathic profile could be corrected to an acceptable facial esthetic profile. In summary, maxillary transversal expansion and mandibular setback with or without mandibular ASO can be successfully applied to treat mandibular prognathism with OSA.

CT features and common causes of arc of Riolan expansion: an analysis with 64-detector-row computed tomographic angiography

PubMed Central

Xie, Yuanliang; Jin, Chaolin; Zhang, Shutong; Wang, Xiang; Jiang, Yanping

2015-01-01

Objective: To study the manifestations of arc of Riolan expansion (ARE) using multi-detector computed tomography angiography (MDCTA). Materials and methods: The manifestations and clinical data of 626 consecutive mesentery CTA images were retrospectively analyzed. The 47 cases with ARE and 47 patients without expansion were involved. The average diameter of arc of Riolan was measured. Two radiologists after reaching consensus analyzed the shapes of mesenteric artery, CT findings and the occurrence and causes of ARE. Results: The mean diameter of arc of Riolan was 1.2 mm, 4.6 mm, 2.5 mm, 2.3 mm, 1.9 mm, 2.5 mm, and 2.0 mm at baseline and following obstruction of superior mesenteric artery (SMA), stenosis of SMA, obstruction of inferior mesenteric artery (IMA), stenosis of IMA, colon cancer, and active ulcerative colitis, respectively. The expansion of arc of Riolan was the most significant following obstruction of SMA. The diameters of arc of Riolan were significantly different between the upward flow group and the downward or the two-way flow groups, and between the colon tumor group and the active ulcerative colitis group. CT findings such as bowel wall thickening, contrast enhancement, intestinal obstruction, marginal artery expansion, lymph node enlargement varied and were help to identify the cause of ARE. Conclusions: ARE often suggests the occurrence of obstructed intestinal feeding artery or intestinal lesions. MDCTA can clearly display the situation of arc of Riolan and collateral circulation, and together with CT symptoms, can guide the selection of diagnosis and treatment schemes in clinic. PMID:26064208