Parametrization of an Orbital-Based Linear-Scaling Quantum Force Field for Noncovalent Interactions

PubMed Central

2015-01-01

We parametrize a linear-scaling quantum mechanical force field called mDC for the accurate reproduction of nonbonded interactions. We provide a new benchmark database of accurate ab initio interactions between sulfur-containing molecules. A variety of nonbond databases are used to compare the new mDC method with other semiempirical, molecular mechanical, ab initio, and combined semiempirical quantum mechanical/molecular mechanical methods. It is shown that the molecular mechanical force field significantly and consistently reproduces the benchmark results with greater accuracy than the semiempirical models and our mDC model produces errors twice as small as the molecular mechanical force field. The comparisons between the methods are extended to the docking of drug candidates to the Cyclin-Dependent Kinase 2 protein receptor. We correlate the protein–ligand binding energies to their experimental inhibition constants and find that the mDC produces the best correlation. Condensed phase simulation of mDC water is performed and shown to produce O–O radial distribution functions similar to TIP4P-EW. PMID:24803856

Effects of ageing on orofacial fine force control and its relationship with parallel change in sensory perception.

PubMed

Etter, Nicole M; Mckeon, Patrick O; Dressler, Emily V; Andreatta, Richard D

2017-05-03

Current theoretical models suggest the importance of a bidirectional relationship between sensation and production in the vocal tract to maintain lifelong speech skills. The purpose of this study was to assess age-related changes in orofacial skilled force production and to begin defining the orofacial perception-action relationship in healthy adults. Low-level orofacial force control measures (reaction time, rise time, peak force, mean hold force (N) and force hold SD) were collected from 60 adults (19-84 years). Non-parametric Kruskal Wallis tests were performed to identify statistical differences between force and group demographics. Non-parametric Spearman's rank correlations were completed to compare force measures against previously published sensory data from the same cohort of participants. Significant group differences in force control were found for age, sex, speech usage and smoking status. Significant correlational relationships were identified between labial vibrotactile thresholds and several low-level force control measures collected during step and ramp-and-hold conditions. These findings demonstrate age-related alterations in orofacial force production. Furthermore, correlational analysis suggests as vibrotactile detection thresholds increase, the ability to maintain low-level force control accuracy decreases. Possible clinical applications and treatment consequences of these findings for speech disorders in the ageing population are provided.

Fluidic Energy Harvester Optimization in Grid Turbulence

NASA Astrophysics Data System (ADS)

Danesh-Yazdi, Amir; Elvin, Niell; Andreopoulos, Yiannis

2017-11-01

Even though it is omnipresent in nature, there has not been a great deal of research in the literature involving turbulence as an energy source for piezoelectric fluidic harvesters. In the present work, a grid-generated turbulence forcing function model which we derived previously is employed in the single degree-of-freedom electromechanical equations to find the power output and tip displacement of piezoelectric cantilever beams. Additionally, we utilize simplified, deterministic models of the turbulence forcing function to obtain closed-form expressions for the power output. These theoretical models are studied using experiments that involve separately placing a hot-wire anemometer probe and a short PVDF beam in flows where turbulence is generated by means of passive and semi-passive grids. From a parametric study on the deterministic models, we show that the white noise forcing function best mimics the experimental data. Furthermore, our parametric study of the response spectrum of a generic fluidic harvester in grid-generated turbulent flow shows that optimum power output is attained for beams placed closer to the grid with a low natural frequency and damping ratio and a large electromechanical coupling coefficient. NSF Grant No. CBET 1033117.

Parametrically excited motion of a levitated rigid bar over high- Tc superconducting bulks

NASA Astrophysics Data System (ADS)

Shimizu, T.; Sugiura, T.; Ogawa, S.

2006-10-01

High-Tc superconducting levitation systems achieve, under no contact support, stable levitation without control. This feature can be applied to flywheels, magnetically levitated trains, and so on. But no contact support has small damping. So these mechanisms can show complicated phenomena of dynamics due to nonlinearity in their magnetic force. For application to large-scale machines, we need to analyze dynamics of a large levitated body supported at multiple points. This research deals with nonlinearly coupled oscillation of a homogeneous and symmetric rigid bar supported at its both ends by equal electromagnetic forces between superconductors and permanent magnets. In our past study, using a rigid bar, we found combination resonance. Combination resonance happens owing to the asymmetry of the system. But, even if support forces are symmetric, parametric resonance can happen. With a simple symmetric model, this research focuses on especially the parametric resonance, and evaluates nonlinear effect of the symmetric support forces by experiment and numerical analysis. Obtained results show that two modes, caused by coupling of horizontal translation and roll motion, can be excited nonlinearly when the superconductor is excited vertically in the neighborhood of twice the natural frequencies of those modes. We confirmed these resonances have nonlinear characteristics of soft-spring, hysteresis and so on.

Comment on 'Parametrization of Stillinger-Weber potential based on a valence force field model: application to single-layer MoS2 and black phosphorus'.

PubMed

Midtvedt, Daniel; Croy, Alexander

2016-06-10

We compare the simplified valence-force model for single-layer black phosphorus with the original model and recent ab initio results. Using an analytic approach and numerical calculations we find that the simplified model yields Young's moduli that are smaller compared to the original model and are almost a factor of two smaller than ab initio results. Moreover, the Poisson ratios are an order of magnitude smaller than values found in the literature.

Parametric spatiotemporal oscillation in reaction-diffusion systems.

PubMed

Ghosh, Shyamolina; Ray, Deb Shankar

2016-03-01

We consider a reaction-diffusion system in a homogeneous stable steady state. On perturbation by a time-dependent sinusoidal forcing of a suitable scaling parameter the system exhibits parametric spatiotemporal instability beyond a critical threshold frequency. We have formulated a general scheme to calculate the threshold condition for oscillation and the range of unstable spatial modes lying within a V-shaped region reminiscent of Arnold's tongue. Full numerical simulations show that depending on the specificity of nonlinearity of the models, the instability may result in time-periodic stationary patterns in the form of standing clusters or spatially localized breathing patterns with characteristic wavelengths. Our theoretical analysis of the parametric oscillation in reaction-diffusion system is corroborated by full numerical simulation of two well-known chemical dynamical models: chlorite-iodine-malonic acid and Briggs-Rauscher reactions.

Parametric spatiotemporal oscillation in reaction-diffusion systems

NASA Astrophysics Data System (ADS)

Ghosh, Shyamolina; Ray, Deb Shankar

2016-03-01

We consider a reaction-diffusion system in a homogeneous stable steady state. On perturbation by a time-dependent sinusoidal forcing of a suitable scaling parameter the system exhibits parametric spatiotemporal instability beyond a critical threshold frequency. We have formulated a general scheme to calculate the threshold condition for oscillation and the range of unstable spatial modes lying within a V-shaped region reminiscent of Arnold's tongue. Full numerical simulations show that depending on the specificity of nonlinearity of the models, the instability may result in time-periodic stationary patterns in the form of standing clusters or spatially localized breathing patterns with characteristic wavelengths. Our theoretical analysis of the parametric oscillation in reaction-diffusion system is corroborated by full numerical simulation of two well-known chemical dynamical models: chlorite-iodine-malonic acid and Briggs-Rauscher reactions.

Robust simulation of buckled structures using reduced order modeling

NASA Astrophysics Data System (ADS)

Wiebe, R.; Perez, R. A.; Spottswood, S. M.

2016-09-01

Lightweight metallic structures are a mainstay in aerospace engineering. For these structures, stability, rather than strength, is often the critical limit state in design. For example, buckling of panels and stiffeners may occur during emergency high-g maneuvers, while in supersonic and hypersonic aircraft, it may be induced by thermal stresses. The longstanding solution to such challenges was to increase the sizing of the structural members, which is counter to the ever present need to minimize weight for reasons of efficiency and performance. In this work we present some recent results in the area of reduced order modeling of post- buckled thin beams. A thorough parametric study of the response of a beam to changing harmonic loading parameters, which is useful in exposing complex phenomena and exercising numerical models, is presented. Two error metrics that use but require no time stepping of a (computationally expensive) truth model are also introduced. The error metrics are applied to several interesting forcing parameter cases identified from the parametric study and are shown to yield useful information about the quality of a candidate reduced order model. Parametric studies, especially when considering forcing and structural geometry parameters, coupled environments, and uncertainties would be computationally intractable with finite element models. The goal is to make rapid simulation of complex nonlinear dynamic behavior possible for distributed systems via fast and accurate reduced order models. This ability is crucial in allowing designers to rigorously probe the robustness of their designs to account for variations in loading, structural imperfections, and other uncertainties.

Parametric pendulum based wave energy converter

NASA Astrophysics Data System (ADS)

Yurchenko, Daniil; Alevras, Panagiotis

2018-01-01

The paper investigates the dynamics of a novel wave energy converter based on the parametrically excited pendulum. The herein developed concept of the parametric pendulum allows reducing the influence of the gravity force thereby significantly improving the device performance at a regular sea state, which could not be achieved in the earlier proposed original point-absorber design. The suggested design of a wave energy converter achieves a dominant rotational motion without any additional mechanisms, like a gearbox, or any active control involvement. Presented numerical results of deterministic and stochastic modeling clearly reflect the advantage of the proposed design. A set of experimental results confirms the numerical findings and validates the new design of a parametric pendulum based wave energy converter. Power harvesting potential of the novel device is also presented.

Force Project Technology Presentation to the NRCC

DTIC Science & Technology

2014-02-04

Functional Bridge components Smart Odometer Adv Pretreatment Smart Bridge Multi-functional Gap Crossing Fuel Automated Tracking System Adv...comprehensive matrix of candidate composite material systems and textile reinforcement architectures via modeling/analyses and testing. Product(s...Validated Dynamic Modeling tool based on parametric study using material models to reliably predict the textile mechanics of the hose

Stick balancing with reflex delay in case of parametric forcing

NASA Astrophysics Data System (ADS)

Insperger, Tamas

2011-04-01

The effect of parametric forcing on a PD control of an inverted pendulum is analyzed in the presence of feedback delay. The stability of the time-periodic and time-delayed system is determined numerically using the first-order semi-discretization method in the 5-dimensional parameter space of the pendulum's length, the forcing frequency, the forcing amplitude, the proportional and the differential gains. It is shown that the critical length of the pendulum (that can just be balanced against the time-delay) can significantly be decreased by parametric forcing even if the maximum forcing acceleration is limited. The numerical analysis showed that the critical stick length about 30 cm corresponding to the unforced system with reflex delay 0.1 s can be decreased to 18 cm with keeping maximum acceleration below the gravitational acceleration.

More than the sum of its parts: Coarse-grained peptide-lipid interactions from a simple cross-parametrization

NASA Astrophysics Data System (ADS)

Bereau, Tristan; Wang, Zun-Jing; Deserno, Markus

2014-03-01

Interfacial systems are at the core of fascinating phenomena in many disciplines, such as biochemistry, soft-matter physics, and food science. However, the parametrization of accurate, reliable, and consistent coarse-grained (CG) models for systems at interfaces remains a challenging endeavor. In the present work, we explore to what extent two independently developed solvent-free CG models of peptides and lipids—of different mapping schemes, parametrization methods, target functions, and validation criteria—can be combined by only tuning the cross-interactions. Our results show that the cross-parametrization can reproduce a number of structural properties of membrane peptides (for example, tilt and hydrophobic mismatch), in agreement with existing peptide-lipid CG force fields. We find encouraging results for two challenging biophysical problems: (i) membrane pore formation mediated by the cooperative action of several antimicrobial peptides, and (ii) the insertion and folding of the helix-forming peptide WALP23 in the membrane.

Design Methodology of a Dual-Halbach Array Linear Actuator with Thermal-Electromagnetic Coupling

PubMed Central

Eckert, Paulo Roberto; Flores Filho, Aly Ferreira; Perondi, Eduardo; Ferri, Jeferson; Goltz, Evandro

2016-01-01

This paper proposes a design methodology for linear actuators, considering thermal and electromagnetic coupling with geometrical and temperature constraints, that maximizes force density and minimizes force ripple. The method allows defining an actuator for given specifications in a step-by-step way so that requirements are met and the temperature within the device is maintained under or equal to its maximum allowed for continuous operation. According to the proposed method, the electromagnetic and thermal models are built with quasi-static parametric finite element models. The methodology was successfully applied to the design of a linear cylindrical actuator with a dual quasi-Halbach array of permanent magnets and a moving-coil. The actuator can produce an axial force of 120 N and a stroke of 80 mm. The paper also presents a comparative analysis between results obtained considering only an electromagnetic model and the thermal-electromagnetic coupled model. This comparison shows that the final designs for both cases differ significantly, especially regarding its active volume and its electrical and magnetic loading. Although in this paper the methodology was employed to design a specific actuator, its structure can be used to design a wide range of linear devices if the parametric models are adjusted for each particular actuator. PMID:26978370

Design Methodology of a Dual-Halbach Array Linear Actuator with Thermal-Electromagnetic Coupling.

PubMed

Eckert, Paulo Roberto; Flores Filho, Aly Ferreira; Perondi, Eduardo; Ferri, Jeferson; Goltz, Evandro

2016-03-11

This paper proposes a design methodology for linear actuators, considering thermal and electromagnetic coupling with geometrical and temperature constraints, that maximizes force density and minimizes force ripple. The method allows defining an actuator for given specifications in a step-by-step way so that requirements are met and the temperature within the device is maintained under or equal to its maximum allowed for continuous operation. According to the proposed method, the electromagnetic and thermal models are built with quasi-static parametric finite element models. The methodology was successfully applied to the design of a linear cylindrical actuator with a dual quasi-Halbach array of permanent magnets and a moving-coil. The actuator can produce an axial force of 120 N and a stroke of 80 mm. The paper also presents a comparative analysis between results obtained considering only an electromagnetic model and the thermal-electromagnetic coupled model. This comparison shows that the final designs for both cases differ significantly, especially regarding its active volume and its electrical and magnetic loading. Although in this paper the methodology was employed to design a specific actuator, its structure can be used to design a wide range of linear devices if the parametric models are adjusted for each particular actuator.

Parametric Symmetry Breaking in a Nonlinear Resonator

NASA Astrophysics Data System (ADS)

Leuch, Anina; Papariello, Luca; Zilberberg, Oded; Degen, Christian L.; Chitra, R.; Eichler, Alexander

2016-11-01

Much of the physical world around us can be described in terms of harmonic oscillators in thermodynamic equilibrium. At the same time, the far-from-equilibrium behavior of oscillators is important in many aspects of modern physics. Here, we investigate a resonating system subject to a fundamental interplay between intrinsic nonlinearities and a combination of several driving forces. We have constructed a controllable and robust realization of such a system using a macroscopic doubly clamped string. We experimentally observe a hitherto unseen double hysteresis in both the amplitude and the phase of the resonator's response function and present a theoretical model that is in excellent agreement with the experiment. Our work unveils that the double hysteresis is a manifestation of an out-of-equilibrium symmetry breaking between parametric phase states. Such a fundamental phenomenon, in the most ubiquitous building block of nature, paves the way for the investigation of new dynamical phases of matter in parametrically driven many-body systems and motivates applications ranging from ultrasensitive force detection to low-energy computing memory units.

RSRA sixth scale wind tunnel test. Tabulated balance data, volume 2

NASA Technical Reports Server (NTRS)

Ruddell, A.; Flemming, R.

1974-01-01

Summaries are presented of all the force and moment data acquired during the RSRA Sixth Scale Wind Tunnel Test. These data include and supplement the data presented in curve form in previous reports. Each summary includes the model configuration, wing and empennage incidences and deflections, and recorded balance data. The first group of data in each summary presents the force and moment data in full scale parametric form, the dynamic pressure and velocity in the test section, and the powered nacelle fan speed. The second and third groups of data are the balance data in nondimensional coefficient form. The wind axis coefficient data corresponds to the parametric data divided by the wing area for forces and divided by the product of the wing area and wing span or mean aerodynamic chord for moments. The stability axis data resolves the wind axis data with respect to the angle of yaw.

Jet-induced ground effects on a parametric flat-plate model in hover

NASA Technical Reports Server (NTRS)

Wardwell, Douglas A.; Hange, Craig E.; Kuhn, Richard E.; Stewart, Vearl R.

1993-01-01

The jet-induced forces generated on short takeoff and vertical landing (STOVL) aircraft when in close proximity to the ground can have a significant effect on aircraft performance. Therefore, accurate predictions of these aerodynamic characteristics are highly desirable. Empirical procedures for estimating jet-induced forces during the vertical/short takeoff and landing (V/STOL) portions of the flight envelope are currently limited in accuracy. The jet-induced force data presented significantly add to the current STOVL configurations data base. Further development of empirical prediction methods for jet-induced forces, to provide more configuration diversity and improved overall accuracy, depends on the viability of this STOVL data base. The data base may also be used to validate computational fluid dynamics (CFD) analysis codes. The hover data obtained at the NASA Ames Jet Calibration and Hover Test (JCAHT) facility for a parametric flat-plate model is presented. The model tested was designed to allow variations in the planform aspect ratio, number of jets, nozzle shape, and jet location. There were 31 different planform/nozzle configurations tested. Each configuration had numerous pressure taps installed to measure the pressures on the undersurface of the model. All pressure data along with the balance jet-induced lift and pitching-moment increments are tabulated. For selected runs, pressure data are presented in the form of contour plots that show lines of constant pressure coefficient on the model undersurface. Nozzle-thrust calibrations and jet flow-pressure survey information are also provided.

Assessing the accuracy of improved force-matched water models derived from Ab initio molecular dynamics simulations.

PubMed

Köster, Andreas; Spura, Thomas; Rutkai, Gábor; Kessler, Jan; Wiebeler, Hendrik; Vrabec, Jadran; Kühne, Thomas D

2016-07-15

The accuracy of water models derived from ab initio molecular dynamics simulations by means on an improved force-matching scheme is assessed for various thermodynamic, transport, and structural properties. It is found that although the resulting force-matched water models are typically less accurate than fully empirical force fields in predicting thermodynamic properties, they are nevertheless much more accurate than generally appreciated in reproducing the structure of liquid water and in fact superseding most of the commonly used empirical water models. This development demonstrates the feasibility to routinely parametrize computationally efficient yet predictive potential energy functions based on accurate ab initio molecular dynamics simulations for a large variety of different systems. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Parametric Investigation of Liquid Jets in Low Gravity

NASA Technical Reports Server (NTRS)

Chato, David J.

2005-01-01

An axisymmetric phase field model is developed and used to model surface tension forces on liquid jets in microgravity. The previous work in this area is reviewed and a baseline drop tower experiment selected for model comparison. This paper uses the model to parametrically investigate the influence of key parameters on the geysers formed by jets in microgravity. Investigation of the contact angle showed the expected trend of increasing contact angle increasing geyser height. Investigation of the tank radius showed some interesting effects and demonstrated the zone of free surface deformation is quite large. Variation of the surface tension with a laminar jet showed clearly the evolution of free surface shape with Weber number. It predicted a breakthrough Weber number of 1.

Parametrically driven scalar field in an expanding background

NASA Astrophysics Data System (ADS)

Yanez-Pagans, Sergio; Urzagasti, Deterlino; Oporto, Zui

2017-10-01

We study the existence and dynamic behavior of localized and extended structures in a massive scalar inflaton field ϕ in 1 +1 dimensions in the framework of an expanding universe with constant Hubble parameter. We introduce a parametric forcing, produced by another quantum scalar field ψ , over the effective mass squared around the minimum of the inflaton potential. For this purpose, we study the system in the context of the cubic quintic complex Ginzburg-Landau equation and find the associated amplitude equation to the cosmological scalar field equation, which near the parametric resonance allows us to find the field amplitude. We find homogeneous null solutions, flat-top expanding solitons, and dark soliton patterns. No persistent non-null solutions are found in the absence of parametric forcing, and divergent solutions are obtained when the forcing amplitude is greater than 4 /3 .

Enhanced force sensitivity and noise squeezing in an electromechanical resonator coupled to a nanotransistor

NASA Astrophysics Data System (ADS)

Mahboob, I.; Flurin, E.; Nishiguchi, K.; Fujiwara, A.; Yamaguchi, H.

2010-12-01

A nanofield-effect transistor (nano-FET) is coupled to a massive piezoelectricity based electromechanical resonator integrated with a parametric amplifier. The mechanical parametric amplifier can enhance the resonator's displacement and the resulting electrical signal is further amplified by the nano-FET. This hybrid amplification scheme yields an increase in the mechanical displacement signal by 70 dB resulting in a force sensitivity of 200 aN Hz-1/2 at 3 K. The mechanical parametric amplifier can also squeeze the displacement noise in one oscillation phase by 5 dB enabling a factor of 4 reduction in the thermomechanical noise force level.

Parametric instability of shaft with discs

NASA Astrophysics Data System (ADS)

Wahab, A. M. Abdul; Rasid, Z. A.; Abu, A.; Rudin, N. F. Mohd Noor

2017-12-01

The occurrence of resonance is a major criterion to be considered in the design of shaft. While force resonance occurs merely when the natural frequency of the rotor system equals speed of the shaft, parametric resonance or parametric instability can occur at excitation speed that is integral or sub-multiple of the frequency of the rotor. This makes the study on parametric resonance crucial. Parametric instability of a shaft system consisting of a shaft and disks has been investigated in this study. The finite element formulation of the Mathieu-Hill equation that represents the parametric instability problem of the shaft is developed based on Timoshenko’s beam theory and Nelson’s finite element method (FEM) model that considers the effect of torsional motion on such problem. The Bolotin’s method is used to determine the regions of instability and the Strut-Ince diagram. The validation works show that the results of this study are in close agreement to past results. It is found that a larger radius of disk will cause the shaft to become more unstable compared to smaller radius although both weights are similar. Furthermore, the effect of torsional motion on the parametric instability of the shaft is significant at higher rotating speed.

Partitioning sources of uncertainty in projecting the impact of future climate extremes on site to regional ecosystem carbon cycling

NASA Astrophysics Data System (ADS)

Simkins, J.; Desai, A. R.; Cowdery, E.; Dietze, M.; Rollinson, C.

2016-12-01

The terrestrial biosphere assimilates nearly one fourth of anthropogenic carbon dioxide emissions, providing a significant ecosystem service. Anthropogenic climate changes that influence the distribution and frequency of weather extremes and can have a momentous impact on this useful function that ecosystems provide. However, most analyses of the impact of extreme events on ecosystem carbon uptake do not integrate across the wide range of structural, parametric, and driver uncertainty that needs to be taken into account to estimate probability of changes to ecosystem function under shifts in climate patterns. In order to improve ecosystem model forecasts, we integrated and estimated these sources of uncertainty using an open-sourced informatics workflow, the Predictive ECosystem Analyzer (PEcAn, http://pecanproject.org). PEcAn allows any researcher to parameterize and run multiple ecosystem models and automate extraction of meteorological forcing and estimation of its uncertainty. Trait databases and a uniform protocol for parameterizing and driving models were used to test parametric and structural uncertainty. In order to sample the uncertainty in future projected meteorological drivers, we developed automated extraction routines to acquire site-level three-hourly Coupled Model Intercomparison Project 5 (CMIP5) forcing data from the Geophysical Fluid Dynamics Laboratory general circulation models (CM3, ESM2M, and ESM2G) across the r1i1p1, r3i1p1 and r5i1p1 ensembles and AR5 emission scenarios. We also implemented a site-level high temporal resolution downscaling technique for these forcings calibrated against half-hourly eddy covariance flux tower observations. Our hypothesis claims that parametric and driver uncertainty dominate over the model structural uncertainty. In order to test this, we partition the uncertainty budget on the ChEAS regional network of towers in Northern Wisconsin, USA where each tower is located in forest and wetland ecosystems.

Parametric Cooling of Ultracold Atoms

NASA Astrophysics Data System (ADS)

Boguslawski, Matthew; Bharath, H. M.; Barrios, Maryrose; Chapman, Michael

2017-04-01

An oscillator is characterized by a restoring force which determines the natural frequency at which oscillations occur. The amplitude and phase-noise of these oscillations can be amplified or squeezed by modulating the magnitude of this force (e.g. the stiffness of the spring) at twice the natural frequency. This is parametric excitation; a long-studied phenomena in both the classical and quantum regimes. Parametric cooling, or the parametric squeezing of thermo-mechanical noise in oscillators has been studied in micro-mechanical oscillators and trapped ions. We study parametric cooling in ultracold atoms. This method shows a modest reduction of the variance of atomic momenta, and can be easily employed with pre-existing controls in many experiments. Parametric cooling is comparable to delta-kicked cooling, sharing similar limitations. We expect this cooling to find utility in microgravity experiments where the experiment duration is limited by atomic free expansion.

A Hybrid Wind-Farm Parametrization for Mesoscale and Climate Models

NASA Astrophysics Data System (ADS)

Pan, Yang; Archer, Cristina L.

2018-04-01

To better understand the potential impact of wind farms on weather and climate at the regional to global scales, a new hybrid wind-farm parametrization is proposed for mesoscale and climate models. The proposed parametrization is a hybrid model because it is not based on physical processes or conservation laws, but on the multiple linear regression of the results of large-eddy simulations (LES) with the geometric properties of the wind-farm layout (e.g., the blockage ratio and blockage distance). The innovative aspect is that each wind turbine is treated individually based on its position in the farm and on the wind direction by predicting the velocity upstream of each turbine. The turbine-induced forces and added turbulence kinetic energy (TKE) are first derived analytically and then implemented in the Weather Research and Forecasting model. Idealized simulations of the offshore Lillgrund wind farm are conducted. The wind-speed deficit and TKE predicted with the hybrid model are in excellent agreement with those from the LES results, while the wind-power production estimated with the hybrid model is within 10% of that observed. Three additional wind farms with larger inter-turbine spacing than at Lillgrund are also considered, and a similar agreement with LES results is found, proving that the hybrid parametrization works well with any wind farm regardless of the spacing between turbines. These results indicate the wind-turbine position, wind direction, and added TKE are essential in accounting for the wind-farm effects on the surroundings, for which the hybrid wind-farm parametrization is a promising tool.

A Semi-Analytical Method for the PDFs of A Ship Rolling in Random Oblique Waves

NASA Astrophysics Data System (ADS)

Liu, Li-qin; Liu, Ya-liu; Xu, Wan-hai; Li, Yan; Tang, You-gang

2018-03-01

The PDFs (probability density functions) and probability of a ship rolling under the random parametric and forced excitations were studied by a semi-analytical method. The rolling motion equation of the ship in random oblique waves was established. The righting arm obtained by the numerical simulation was approximately fitted by an analytical function. The irregular waves were decomposed into two Gauss stationary random processes, and the CARMA (2, 1) model was used to fit the spectral density function of parametric and forced excitations. The stochastic energy envelope averaging method was used to solve the PDFs and the probability. The validity of the semi-analytical method was verified by the Monte Carlo method. The C11 ship was taken as an example, and the influences of the system parameters on the PDFs and probability were analyzed. The results show that the probability of ship rolling is affected by the characteristic wave height, wave length, and the heading angle. In order to provide proper advice for the ship's manoeuvring, the parametric excitations should be considered appropriately when the ship navigates in the oblique seas.

A parametric model of muscle moment arm as a function of joint angle: application to the dorsiflexor muscle group in mice.

PubMed

Miller, S W; Dennis, R G

1996-12-01

A parametric model was developed to describe the relationship between muscle moment arm and joint angle. The model was applied to the dorsiflexor muscle group in mice, for which the moment arm was determined as a function of ankle angle. The moment arm was calculated from the torque measured about the ankle upon application of a known force along the line of action of the dorsiflexor muscle group. The dependence of the dorsiflexor moment arm on ankle angle was modeled as r = R sin(a + delta), where r is the moment arm calculated from the measured torque and a is the joint angle. A least-squares curve fit yielded values for R, the maximum moment arm, and delta, the angle at which the maximum moment arm occurs as offset from 90 degrees. Parametric models were developed for two strains of mice, and no differences were found between the moment arms determined for each strain. Values for the maximum moment arm, R, for the two different strains were 0.99 and 1.14 mm, in agreement with the limited data available from the literature. While in some cases moment arm data may be better fitted by a polynomial, use of the parametric model provides a moment arm relationship with meaningful anatomical constants, allowing for the direct comparison of moment arm characteristics between different strains and species.

Stochastic sensitivity analysis of the variability of dynamics and transition to chaos in the business cycles model

NASA Astrophysics Data System (ADS)

Bashkirtseva, Irina; Ryashko, Lev; Ryazanova, Tatyana

2018-01-01

A problem of mathematical modeling of complex stochastic processes in macroeconomics is discussed. For the description of dynamics of income and capital stock, the well-known Kaldor model of business cycles is used as a basic example. The aim of the paper is to give an overview of the variety of stochastic phenomena which occur in Kaldor model forced by additive and parametric random noise. We study a generation of small- and large-amplitude stochastic oscillations, and their mixed-mode intermittency. To analyze these phenomena, we suggest a constructive approach combining the study of the peculiarities of deterministic phase portrait, and stochastic sensitivity of attractors. We show how parametric noise can stabilize the unstable equilibrium and transform dynamics of Kaldor system from order to chaos.

Parametrization of Backbone Flexibility in a Coarse-Grained Force Field for Proteins (COFFDROP) Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of All Possible Two-Residue Peptides.

PubMed

Frembgen-Kesner, Tamara; Andrews, Casey T; Li, Shuxiang; Ngo, Nguyet Anh; Shubert, Scott A; Jain, Aakash; Olayiwola, Oluwatoni J; Weishaar, Mitch R; Elcock, Adrian H

2015-05-12

Recently, we reported the parametrization of a set of coarse-grained (CG) nonbonded potential functions, derived from all-atom explicit-solvent molecular dynamics (MD) simulations of amino acid pairs and designed for use in (implicit-solvent) Brownian dynamics (BD) simulations of proteins; this force field was named COFFDROP (COarse-grained Force Field for Dynamic Representations Of Proteins). Here, we describe the extension of COFFDROP to include bonded backbone terms derived from fitting to results of explicit-solvent MD simulations of all possible two-residue peptides containing the 20 standard amino acids, with histidine modeled in both its protonated and neutral forms. The iterative Boltzmann inversion (IBI) method was used to optimize new CG potential functions for backbone-related terms by attempting to reproduce angle, dihedral, and distance probability distributions generated by the MD simulations. In a simple test of the transferability of the extended force field, the angle, dihedral, and distance probability distributions obtained from BD simulations of 56 three-residue peptides were compared to results from corresponding explicit-solvent MD simulations. In a more challenging test of the COFFDROP force field, it was used to simulate eight intrinsically disordered proteins and was shown to quite accurately reproduce the experimental hydrodynamic radii (Rhydro), provided that the favorable nonbonded interactions of the force field were uniformly scaled downward in magnitude. Overall, the results indicate that the COFFDROP force field is likely to find use in modeling the conformational behavior of intrinsically disordered proteins and multidomain proteins connected by flexible linkers.

Effect of Monovalent Ion Parameters on Molecular Dynamics Simulations of G-Quadruplexes.

PubMed

Havrila, Marek; Stadlbauer, Petr; Islam, Barira; Otyepka, Michal; Šponer, Jiří

2017-08-08

G-quadruplexes (GQs) are key noncanonical DNA and RNA architectures stabilized by desolvated monovalent cations present in their central channels. We analyze extended atomistic molecular dynamics simulations (∼580 μs in total) of GQs with 11 monovalent cation parametrizations, assessing GQ overall structural stability, dynamics of internal cations, and distortions of the G-tetrad geometries. Majority of simulations were executed with the SPC/E water model; however, test simulations with TIP3P and OPC water models are also reported. The identity and parametrization of ions strongly affect behavior of a tetramolecular d[GGG] 4 GQ, which is unstable with several ion parametrizations. The remaining studied RNA and DNA GQs are structurally stable, though the G-tetrad geometries are always deformed by bifurcated H-bonding in a parametrization-specific manner. Thus, basic 10-μs-scale simulations of fully folded GQs can be safely done with a number of cation parametrizations. However, there are parametrization-specific differences and basic force-field errors affecting the quantitative description of ion-tetrad interactions, which may significantly affect studies of the ion-binding processes and description of the GQ folding landscape. Our d[GGG] 4 simulations indirectly suggest that such studies will also be sensitive to the water models. During exchanges with bulk water, the Na + ions move inside the GQs in a concerted manner, while larger relocations of the K + ions are typically separated. We suggest that the Joung-Cheatham SPC/E K + parameters represent a safe choice in simulation studies of GQs, though variation of ion parameters can be used for specific simulation goals.

Trends and associated uncertainty in the global mean temperature record

NASA Astrophysics Data System (ADS)

Poppick, A. N.; Moyer, E. J.; Stein, M.

2016-12-01

Physical models suggest that the Earth's mean temperature warms in response to changing CO2 concentrations (and hence increased radiative forcing); given physical uncertainties in this relationship, the historical temperature record is a source of empirical information about global warming. A persistent thread in many analyses of the historical temperature record, however, is the reliance on methods that appear to deemphasize both physical and statistical assumptions. Examples include regression models that treat time rather than radiative forcing as the relevant covariate, and time series methods that account for natural variability in nonparametric rather than parametric ways. We show here that methods that deemphasize assumptions can limit the scope of analysis and can lead to misleading inferences, particularly in the setting considered where the data record is relatively short and the scale of temporal correlation is relatively long. A proposed model that is simple but physically informed provides a more reliable estimate of trends and allows a broader array of questions to be addressed. In accounting for uncertainty, we also illustrate how parametric statistical models that are attuned to the important characteristics of natural variability can be more reliable than ostensibly more flexible approaches.

Modelling present-day basal melt rates for Antarctic ice shelves using a parametrization of buoyant meltwater plumes

NASA Astrophysics Data System (ADS)

Lazeroms, Werner M. J.; Jenkins, Adrian; Hilmar Gudmundsson, G.; van de Wal, Roderik S. W.

2018-01-01

Basal melting below ice shelves is a major factor in mass loss from the Antarctic Ice Sheet, which can contribute significantly to possible future sea-level rise. Therefore, it is important to have an adequate description of the basal melt rates for use in ice-dynamical models. Most current ice models use rather simple parametrizations based on the local balance of heat between ice and ocean. In this work, however, we use a recently derived parametrization of the melt rates based on a buoyant meltwater plume travelling upward beneath an ice shelf. This plume parametrization combines a non-linear ocean temperature sensitivity with an inherent geometry dependence, which is mainly described by the grounding-line depth and the local slope of the ice-shelf base. For the first time, this type of parametrization is evaluated on a two-dimensional grid covering the entire Antarctic continent. In order to apply the essentially one-dimensional parametrization to realistic ice-shelf geometries, we present an algorithm that determines effective values for the grounding-line depth and basal slope in any point beneath an ice shelf. Furthermore, since detailed knowledge of temperatures and circulation patterns in the ice-shelf cavities is sparse or absent, we construct an effective ocean temperature field from observational data with the purpose of matching (area-averaged) melt rates from the model with observed present-day melt rates. Our results qualitatively replicate large-scale observed features in basal melt rates around Antarctica, not only in terms of average values, but also in terms of the spatial pattern, with high melt rates typically occurring near the grounding line. The plume parametrization and the effective temperature field presented here are therefore promising tools for future simulations of the Antarctic Ice Sheet requiring a more realistic oceanic forcing.

Modeling Predictors of Duties Not Including Flying Status.

PubMed

Tvaryanas, Anthony P; Griffith, Converse

2018-01-01

The purpose of this study was to reuse available datasets to conduct an analysis of potential predictors of U.S. Air Force aircrew nonavailability in terms of being in "duties not to include flying" (DNIF) status. This study was a retrospective cohort analysis of U.S. Air Force aircrew on active duty during the period from 2003-2012. Predictor variables included age, Air Force Specialty Code (AFSC), clinic location, diagnosis, gender, pay grade, and service component. The response variable was DNIF duration. Nonparametric methods were used for the exploratory analysis and parametric methods were used for model building and statistical inference. Out of a set of 783 potential predictor variables, 339 variables were identified from the nonparametric exploratory analysis for inclusion in the parametric analysis. Of these, 54 variables had significant associations with DNIF duration in the final model fitted to the validation data set. The predicted results of this model for DNIF duration had a correlation of 0.45 with the actual number of DNIF days. Predictor variables included age, 6 AFSCs, 7 clinic locations, and 40 primary diagnosis categories. Specific demographic (i.e., age), occupational (i.e., AFSC), and health (i.e., clinic location and primary diagnosis category) DNIF drivers were identified. Subsequent research should focus on the application of primary, secondary, and tertiary prevention measures to ameliorate the potential impact of these DNIF drivers where possible.Tvaryanas AP, Griffith C Jr. Modeling predictors of duties not including flying status. Aerosp Med Hum Perform. 2018; 89(1):52-57.

A parametric study of hard tissue injury prediction using finite elements: consideration of geometric complexity, subfailure material properties, CT-thresholding, and element characteristics.

PubMed

Arregui-Dalmases, Carlos; Del Pozo, Eduardo; Duprey, Sonia; Lopez-Valdes, Francisco J; Lau, Anthony; Subit, Damien; Kent, Richard

2010-06-01

The objectives of this study were to examine the axial response of the clavicle under quasistatic compressions replicating the body boundary conditions and to quantify the sensitivity of finite element-predicted fracture in the clavicle to several parameters. Clavicles were harvested from 14 donors (age range 14-56 years). Quasistatic axial compression tests were performed using a custom rig designed to replicate in situ boundary conditions. Prior to testing, high-resolution computed tomography (CT) scans were taken of each clavicle. From those images, finite element models were constructed. Factors varied parametrically included the density used to threshold cortical bone in the CT scans, the presence of trabecular bone, the mesh density, Young's modulus, the maximum stress, and the element type (shell vs. solid, triangular vs. quadrilateral surface elements). The experiments revealed significant variability in the peak force (2.41 +/- 0.72 kN) and displacement to peak force (4.9 +/- 1.1 mm), with age (p < .05) and with some geometrical traits of the specimens. In the finite element models, the failure force and location were moderately dependent upon the Young's modulus. The fracture force was highly sensitive to the yield stress (80-110 MPa). Neither fracture location nor force was strongly dependent on mesh density as long as the element size was less than 5 x 5 mm(2). Both the fracture location and force were strongly dependent upon the threshold density used to define the thickness of the cortical shell.

Automated Training of ReaxFF Reactive Force Fields for Energetics of Enzymatic Reactions.

PubMed

Trnka, Tomáš; Tvaroška, Igor; Koča, Jaroslav

2018-01-09

Computational studies of the reaction mechanisms of various enzymes are nowadays based almost exclusively on hybrid QM/MM models. Unfortunately, the success of this approach strongly depends on the selection of the QM region, and computational cost is a crucial limiting factor. An interesting alternative is offered by empirical reactive molecular force fields, especially the ReaxFF potential developed by van Duin and co-workers. However, even though an initial parametrization of ReaxFF for biomolecules already exists, it does not provide the desired level of accuracy. We have conducted a thorough refitting of the ReaxFF force field to improve the description of reaction energetics. To minimize the human effort required, we propose a fully automated approach to generate an extensive training set comprised of thousands of different geometries and molecular fragments starting from a few model molecules. Electrostatic parameters were optimized with QM electrostatic potentials as the main target quantity, avoiding excessive dependence on the choice of reference atomic charges and improving robustness and transferability. The remaining force field parameters were optimized using the VD-CMA-ES variant of the CMA-ES optimization algorithm. This method is able to optimize hundreds of parameters simultaneously with unprecedented speed and reliability. The resulting force field was validated on a real enzymatic system, ppGalNAcT2 glycosyltransferase. The new force field offers excellent qualitative agreement with the reference QM/MM reaction energy profile, matches the relative energies of intermediate and product minima almost exactly, and reduces the overestimation of transition state energies by 27-48% compared with the previous parametrization.

State-Dependence of the Climate Sensitivity in Earth System Models of Intermediate Complexity

NASA Astrophysics Data System (ADS)

Pfister, Patrik L.; Stocker, Thomas F.

2017-10-01

Growing evidence from general circulation models (GCMs) indicates that the equilibrium climate sensitivity (ECS) depends on the magnitude of forcing, which is commonly referred to as state-dependence. We present a comprehensive assessment of ECS state-dependence in Earth system models of intermediate complexity (EMICs) by analyzing millennial simulations with sustained 2×CO2 and 4×CO2 forcings. We compare different extrapolation methods and show that ECS is smaller in the higher-forcing scenario in 12 out of 15 EMICs, in contrast to the opposite behavior reported from GCMs. In one such EMIC, the Bern3D-LPX model, this state-dependence is mainly due to the weakening sea ice-albedo feedback in the Southern Ocean, which depends on model configuration. Due to ocean-mixing adjustments, state-dependence is only detected hundreds of years after the abrupt forcing, highlighting the need for long model integrations. Adjustments to feedback parametrizations of EMICs may be necessary if GCM intercomparisons confirm an opposite state-dependence.

Theoretical studies of the solar atmosphere and interstellar pickup ions

NASA Technical Reports Server (NTRS)

1994-01-01

Solar atmosphere research activities are summarized. Specific topics addressed include: (1) coronal mass ejections and related phenomena; (2) parametric instabilities of Alfven waves; (3) pickup ions in the solar wind; and (4) cosmic rays in the outer heliosphere. Also included is a list of publications covering the following topics: catastrophic evolution of a force-free flux rope; maximum energy release in flux-rope models of eruptive flares; sheet approximations in models of eruptive flares; material ejection, motions of loops and ribbons of two-ribbon flares; dispersion relations for parametric instabilities of parallel-propagating; parametric instabilities of parallel-propagating Alfven waves; beat, modulation, and decay instabilities of a circularly-polarized Alfven wave; effects of time-dependent photoionization on interstellar pickup helium; observation of waves generated by the solar wind pickup of interstellar hydrogen ions; ion thermalization and wave excitation downstream of the quasi-perpendicular bowshock; ion cyclotron instability and the inverse correlation between proton anisotrophy and proton beta; and effects of cosmic rays and interstellar gas on the dynamics of a wind.

Parametric system identification of catamaran for improving controller design

NASA Astrophysics Data System (ADS)

Timpitak, Surasak; Prempraneerach, Pradya; Pengwang, Eakkachai

2018-01-01

This paper presents an estimation of simplified dynamic model for only surge- and yaw- motions of catamaran by using system identification (SI) techniques to determine associated unknown parameters. These methods will enhance the performance of designing processes for the motion control system of Unmanned Surface Vehicle (USV). The simulation results demonstrate an effective way to solve for damping forces and to determine added masses by applying least-square and AutoRegressive Exogenous (ARX) methods. Both methods are then evaluated according to estimated parametric errors from the vehicle’s dynamic model. The ARX method, which yields better estimated accuracy, can then be applied to identify unknown parameters as well as to help improving a controller design of a real unmanned catamaran.

NASA Air Force Cost Model (NAFCOM): Capabilities and Results

NASA Technical Reports Server (NTRS)

McAfee, Julie; Culver, George; Naderi, Mahmoud

2011-01-01

NAFCOM is a parametric estimating tool for space hardware. Uses cost estimating relationships (CERs) which correlate historical costs to mission characteristics to predict new project costs. It is based on historical NASA and Air Force space projects. It is intended to be used in the very early phases of a development project. NAFCOM can be used at the subsystem or component levels and estimates development and production costs. NAFCOM is applicable to various types of missions (crewed spacecraft, uncrewed spacecraft, and launch vehicles). There are two versions of the model: a government version that is restricted and a contractor releasable version.

Influence of Capillary Force and Buoyancy on CO2 Migration During CO2 Injection in a Sandstone Reservoir

NASA Astrophysics Data System (ADS)

Wu, H.; Pollyea, R.

2017-12-01

Carbon capture and sequestration (CCS) is one component of a broad carbon management portfolio designed to mitigate adverse effects of anthropogenic CO2 emissions. During CCS, capillary trapping is an important mechanism for CO2 isolation in the disposal reservoir, and, as a result, the distribution of capillary force is an important factor affecting CO2 migration. Moreover, the movement of CO2 being injected to the reservoir is also affected by buoyancy, which results from the density difference between CO2 and brine. In order to understand interactions between capillary force and buoyancy, we implement a parametric modeling experiment of CO2 injections in a sandstone reservoir for combinations of the van Genuchten capillary pressure model that bound the range of capillary pressure-saturation curves measured in laboratory experiments. We simulate ten years supercritical CO2 (scCO2) injections within a 2-D radially symmetric sandstone reservoir for five combinations of the van Genuchten model parameters λ and entry pressure (P0). Results are analyzed on the basis of a modified dimensionless ratio, ω, which is similar to the Bond number and defines the relationship between buoyancy pressure and capillary pressure. We show how parametric variability affects the relationship between buoyancy and capillary force, and thus controls CO2 plume geometry. These results indicate that when ω >1, then buoyancy governs the system and CO2 plume geometry is governed by upward flow. In contrast, when ω <1, then buoyancy is smaller than capillary force and lateral flow governs CO2 plume geometry. As a result, we show that the ω ratio is an easily implemented screening tool for qualitative assessment of reservoir performance.

Modeling and test of a kinaesthetic actuator based on MR fluid for haptic applications.

PubMed

Yang, Tae-Heon; Koo, Jeong-Hoi; Kim, Sang-Youn; Kwon, Dong-Soo

2017-03-01

Haptic display units have been widely used for conveying button sensations to users, primarily employing vibrotactile actuators. However, the human feeling for pressing buttons mainly relies on kinaesthetic sensations (rather than vibrotactile sensations), and little studies exist on small-scale kinaesthetic haptic units. Thus, the primary goals of this paper are to design a miniature kinaesthetic actuator based on Magneto-Rheological (MR) fluid that can convey various button-clicking sensations and to experimentally evaluate its haptic performance. The design focuses of the proposed actuator were to produce sufficiently large actuation forces (resistive forces) for human users in a given size constraint and to offer a wide range of actuation forces for conveying vivid haptic sensations to users. To this end, this study first performed a series of parametric studies using mathematical force models for multiple operating modes of MR fluid in conjunction with finite element electromagnetism analysis. After selecting design parameters based on parametric studies, a prototype actuator was constructed, and its performance was evaluated using a dynamic mechanical analyzer. It measured the actuator's resistive force with a varying stroke (pressed depth) up to 1 mm and a varying input current from 0 A to 200 mA. The results show that the proposed actuator creates a wide range of resistive forces from around 2 N (off-state) to over 9.5 N at 200 mA. In order to assess the prototype's performance in the terms of the haptic application prospective, a maximum force rate was calculated to determine just noticeable difference in force changes for the 1 mm stoke of the actuator. The results show that the force rate is sufficient to mimic various levels of button sensations, indicating that the proposed kinaesthetic actuator can offer a wide range of resistive force changes that can be conveyed to human operators.

Predicting ecosystem dynamics at regional scales: an evaluation of a terrestrial biosphere model for the forests of northeastern North America.

PubMed

Medvigy, David; Moorcroft, Paul R

2012-01-19

Terrestrial biosphere models are important tools for diagnosing both the current state of the terrestrial carbon cycle and forecasting terrestrial ecosystem responses to global change. While there are a number of ongoing assessments of the short-term predictive capabilities of terrestrial biosphere models using flux-tower measurements, to date there have been relatively few assessments of their ability to predict longer term, decadal-scale biomass dynamics. Here, we present the results of a regional-scale evaluation of the Ecosystem Demography version 2 (ED2)-structured terrestrial biosphere model, evaluating the model's predictions against forest inventory measurements for the northeast USA and Quebec from 1985 to 1995. Simulations were conducted using a default parametrization, which used parameter values from the literature, and a constrained model parametrization, which had been developed by constraining the model's predictions against 2 years of measurements from a single site, Harvard Forest (42.5° N, 72.1° W). The analysis shows that the constrained model parametrization offered marked improvements over the default model formulation, capturing large-scale variation in patterns of biomass dynamics despite marked differences in climate forcing, land-use history and species-composition across the region. These results imply that data-constrained parametrizations of structured biosphere models such as ED2 can be successfully used for regional-scale ecosystem prediction and forecasting. We also assess the model's ability to capture sub-grid scale heterogeneity in the dynamics of biomass growth and mortality of different sizes and types of trees, and then discuss the implications of these analyses for further reducing the remaining biases in the model's predictions.

Zero- vs. one-dimensional, parametric vs. non-parametric, and confidence interval vs. hypothesis testing procedures in one-dimensional biomechanical trajectory analysis.

PubMed

Pataky, Todd C; Vanrenterghem, Jos; Robinson, Mark A

2015-05-01

Biomechanical processes are often manifested as one-dimensional (1D) trajectories. It has been shown that 1D confidence intervals (CIs) are biased when based on 0D statistical procedures, and the non-parametric 1D bootstrap CI has emerged in the Biomechanics literature as a viable solution. The primary purpose of this paper was to clarify that, for 1D biomechanics datasets, the distinction between 0D and 1D methods is much more important than the distinction between parametric and non-parametric procedures. A secondary purpose was to demonstrate that a parametric equivalent to the 1D bootstrap exists in the form of a random field theory (RFT) correction for multiple comparisons. To emphasize these points we analyzed six datasets consisting of force and kinematic trajectories in one-sample, paired, two-sample and regression designs. Results showed, first, that the 1D bootstrap and other 1D non-parametric CIs were qualitatively identical to RFT CIs, and all were very different from 0D CIs. Second, 1D parametric and 1D non-parametric hypothesis testing results were qualitatively identical for all six datasets. Last, we highlight the limitations of 1D CIs by demonstrating that they are complex, design-dependent, and thus non-generalizable. These results suggest that (i) analyses of 1D data based on 0D models of randomness are generally biased unless one explicitly identifies 0D variables before the experiment, and (ii) parametric and non-parametric 1D hypothesis testing provide an unambiguous framework for analysis when one׳s hypothesis explicitly or implicitly pertains to whole 1D trajectories. Copyright © 2015 Elsevier Ltd. All rights reserved.

Streamflow hindcasting in European river basins via multi-parametric ensemble of the mesoscale hydrologic model (mHM)

NASA Astrophysics Data System (ADS)

Noh, Seong Jin; Rakovec, Oldrich; Kumar, Rohini; Samaniego, Luis

2016-04-01

There have been tremendous improvements in distributed hydrologic modeling (DHM) which made a process-based simulation with a high spatiotemporal resolution applicable on a large spatial scale. Despite of increasing information on heterogeneous property of a catchment, DHM is still subject to uncertainties inherently coming from model structure, parameters and input forcing. Sequential data assimilation (DA) may facilitate improved streamflow prediction via DHM using real-time observations to correct internal model states. In conventional DA methods such as state updating, parametric uncertainty is, however, often ignored mainly due to practical limitations of methodology to specify modeling uncertainty with limited ensemble members. If parametric uncertainty related with routing and runoff components is not incorporated properly, predictive uncertainty by DHM may be insufficient to capture dynamics of observations, which may deteriorate predictability. Recently, a multi-scale parameter regionalization (MPR) method was proposed to make hydrologic predictions at different scales using a same set of model parameters without losing much of the model performance. The MPR method incorporated within the mesoscale hydrologic model (mHM, http://www.ufz.de/mhm) could effectively represent and control uncertainty of high-dimensional parameters in a distributed model using global parameters. In this study, we present a global multi-parametric ensemble approach to incorporate parametric uncertainty of DHM in DA to improve streamflow predictions. To effectively represent and control uncertainty of high-dimensional parameters with limited number of ensemble, MPR method is incorporated with DA. Lagged particle filtering is utilized to consider the response times and non-Gaussian characteristics of internal hydrologic processes. The hindcasting experiments are implemented to evaluate impacts of the proposed DA method on streamflow predictions in multiple European river basins having different climate and catchment characteristics. Because augmentation of parameters is not required within an assimilation window, the approach could be stable with limited ensemble members and viable for practical uses.

Calibration and Validation of the Checkpoint Model to the Air Force Electronic Systems Center Software Database

DTIC Science & Technology

1997-09-01

Illinois Institute of Technology Research Institute (IITRI) calibrated seven parametric models including SPQR /20, the forerunner of CHECKPOINT. The...a semicolon); thus, SPQR /20 was calibrated using SLOC sizing data (IITRI, 1989: 3-4). The results showed only slight overall improvements in accuracy...even when validating the calibrated models with the same data sets. The IITRI study demonstrated SPQR /20 to be one of two models that were most

A parametric symmetry breaking transducer

NASA Astrophysics Data System (ADS)

Eichler, Alexander; Heugel, Toni L.; Leuch, Anina; Degen, Christian L.; Chitra, R.; Zilberberg, Oded

2018-06-01

Force detectors rely on resonators to transduce forces into a readable signal. Usually, these resonators operate in the linear regime and their signal appears amidst a competing background comprising thermal or quantum fluctuations as well as readout noise. Here, we demonstrate a parametric symmetry breaking transduction method that leads to a robust nonlinear force detection in the presence of noise. The force signal is encoded in the frequency at which the system jumps between two phase states which are inherently protected against phase noise. Consequently, the transduction effectively decouples from readout noise channels. For a controlled demonstration of the method, we experiment with a macroscopic doubly clamped string. Our method provides a promising paradigm for high-precision force detection.

Bifurcation analysis of parametrically excited bipolar disorder model

NASA Astrophysics Data System (ADS)

Nana, Laurent

2009-02-01

Bipolar II disorder is characterized by alternating hypomanic and major depressive episode. We model the periodic mood variations of a bipolar II patient with a negatively damped harmonic oscillator. The medications administrated to the patient are modeled via a forcing function that is capable of stabilizing the mood variations and of varying their amplitude. We analyze analytically, using perturbation method, the amplitude and stability of limit cycles and check this analysis with numerical simulations.

On the interrelation of divergence, flutter and auto-parametric resonance.

NASA Technical Reports Server (NTRS)

Herrmann, G.; Hauger, W.

1973-01-01

The dependence between static instability and kinetic instability (flutter) on autoparameteric resonance is studied by taking compressibility into account in a model of a cantilever beam under the action of a follower force. It is shown that both instabilities are formally special cases of instabilities known as subharmonic and combination resonances.

Parametrization of a force field for metals complexed to biomacromolecules: applications to Fe(II), Cu(II) and Pb(II)

NASA Astrophysics Data System (ADS)

David, Laurent; Amara, Patricia; Field, Martin J.; Major, François

2002-08-01

Although techniques for the simulation of biomolecules, such as proteins and RNAs, have greatly advanced in the last decade, modeling complexes of biomolecules with metal ions remains problematic. Precise calculations can be done with quantum mechanical methods but these are prohibitive for systems the size of macromolecules. More qualitative modeling can be done with molecular mechanical potentials but the parametrization of force fields for metals is often difficult, particularly if the bonding between the metal and the groups in its coordination shell has significant covalent character. In this paper we present a method for deriving bond and bond-angle parameters for metal complexes from experimental bond and bond-angle distributions obtained from the Cambridge Structural Database. In conjunction with this method, we also introduce a non-standard energy term of gaussian form that allows us to obtain a stable description of the coordination about a metal center during a simulation. The method was evaluated on Fe(II)-porphyrin complexes, on simple Cu(II) ion complexes and a number of complexes of the Pb(II) ion.

Synthesis and Control of Flexible Systems with Component-Level Uncertainties

NASA Technical Reports Server (NTRS)

Maghami, Peiman G.; Lim, Kyong B.

2009-01-01

An efficient and computationally robust method for synthesis of component dynamics is developed. The method defines the interface forces/moments as feasible vectors in transformed coordinates to ensure that connectivity requirements of the combined structure are met. The synthesized system is then defined in a transformed set of feasible coordinates. The simplicity of form is exploited to effectively deal with modeling parametric and non-parametric uncertainties at the substructure level. Uncertainty models of reasonable size and complexity are synthesized for the combined structure from those in the substructure models. In particular, we address frequency and damping uncertainties at the component level. The approach first considers the robustness of synthesized flexible systems. It is then extended to deal with non-synthesized dynamic models with component-level uncertainties by projecting uncertainties to the system level. A numerical example is given to demonstrate the feasibility of the proposed approach.

Parametric Study of Synthetic-Jet-Based Flow Control on a Vertical Tail Model

NASA Astrophysics Data System (ADS)

Monastero, Marianne; Lindstrom, Annika; Beyar, Michael; Amitay, Michael

2015-11-01

Separation control over the rudder of the vertical tail of a commercial airplane using synthetic-jet-based flow control can lead to a reduction in tail size, with an associated decrease in drag and increase in fuel savings. A parametric, experimental study was undertaken using an array of finite span synthetic jets to investigate the sensitivity of the enhanced vertical tail side force to jet parameters, such as jet spanwise spacing and jet momentum coefficient. A generic wind tunnel model was designed and fabricated to fundamentally study the effects of the jet parameters at varying rudder deflection and model sideslip angles. Wind tunnel results obtained from pressure measurements and tuft flow visualization in the Rensselaer Polytechnic Subsonic Wind Tunnel show a decrease in separation severity and increase in model performance in comparison to the baseline, non-actuated case. The sensitivity to various parameters will be presented.

Neural network-based position synchronised internal force control scheme for cooperative manipulator system

NASA Astrophysics Data System (ADS)

Wang, Jin; Xu, Fan; Lu, GuoDong

2017-09-01

More complex problems of simultaneous position and internal force control occur with cooperative manipulator systems than that of a single one. In the presence of unwanted parametric and modelling uncertainties as well as external disturbances, a decentralised position synchronised force control scheme is proposed. With a feedforward neural network estimating engine, a precise model of the system dynamics is not required. Unlike conventional cooperative or synchronised controllers, virtual position and virtual synchronisation errors are introduced for internal force tracking control and task space position synchronisation. Meanwhile joint space synchronisation and force measurement are unnecessary. Together with simulation studies and analysis, the position and the internal force errors are shown to asymptotically converge to zero. Moreover, the controller exhibits different characteristics with selected synchronisation factors. Under certain settings, it can deal with temporary cooperation by an intelligent retreat mechanism, where less internal force would occur and rigid collision can be avoided. Using a Lyapunov stability approach, the controller is proven to be robust in face of the aforementioned uncertainties.

Predicting climate change: Uncertainties and prospects for surmounting them

NASA Astrophysics Data System (ADS)

Ghil, Michael

2008-03-01

General circulation models (GCMs) are among the most detailed and sophisticated models of natural phenomena in existence. Still, the lack of robust and efficient subgrid-scale parametrizations for GCMs, along with the inherent sensitivity to initial data and the complex nonlinearities involved, present a major and persistent obstacle to narrowing the range of estimates for end-of-century warming. Estimating future changes in the distribution of climatic extrema is even more difficult. Brute-force tuning the large number of GCM parameters does not appear to help reduce the uncertainties. Andronov and Pontryagin (1937) proposed structural stability as a way to evaluate model robustness. Unfortunately, many real-world systems proved to be structurally unstable. We illustrate these concepts with a very simple model for the El Niño--Southern Oscillation (ENSO). Our model is governed by a differential delay equation with a single delay and periodic (seasonal) forcing. Like many of its more or less detailed and realistic precursors, this model exhibits a Devil's staircase. We study the model's structural stability, describe the mechanisms of the observed instabilities, and connect our findings to ENSO phenomenology. In the model's phase-parameter space, regions of smooth dependence on parameters alternate with rough, fractal ones. We then apply the tools of random dynamical systems and stochastic structural stability to the circle map and a torus map. The effect of noise with compact support on these maps is fairly intuitive: it is the most robust structures in phase-parameter space that survive the smoothing introduced by the noise. The nature of the stochastic forcing matters, thus suggesting that certain types of stochastic parametrizations might be better than others in achieving GCM robustness. This talk represents joint work with M. Chekroun, E. Simonnet and I. Zaliapin.

Toward Improved Force-Field Accuracy through Sensitivity Analysis of Host-Guest Binding Thermodynamics

PubMed Central

Yin, Jian; Fenley, Andrew T.; Henriksen, Niel M.; Gilson, Michael K.

2015-01-01

Improving the capability of atomistic computer models to predict the thermodynamics of noncovalent binding is critical for successful structure-based drug design, and the accuracy of such calculations remains limited by non-optimal force field parameters. Ideally, one would incorporate protein-ligand affinity data into force field parametrization, but this would be inefficient and costly. We now demonstrate that sensitivity analysis can be used to efficiently tune Lennard-Jones parameters of aqueous host-guest systems for increasingly accurate calculations of binding enthalpy. These results highlight the promise of a comprehensive use of calorimetric host-guest binding data, along with existing validation data sets, to improve force field parameters for the simulation of noncovalent binding, with the ultimate goal of making protein-ligand modeling more accurate and hence speeding drug discovery. PMID:26181208

[Medical image segmentation based on the minimum variation snake model].

PubMed

Zhou, Changxiong; Yu, Shenglin

2007-02-01

It is difficult for traditional parametric active contour (Snake) model to deal with automatic segmentation of weak edge medical image. After analyzing snake and geometric active contour model, a minimum variation snake model was proposed and successfully applied to weak edge medical image segmentation. This proposed model replaces constant force in the balloon snake model by variable force incorporating foreground and background two regions information. It drives curve to evolve with the criterion of the minimum variation of foreground and background two regions. Experiments and results have proved that the proposed model is robust to initial contours placements and can segment weak edge medical image automatically. Besides, the testing for segmentation on the noise medical image filtered by curvature flow filter, which preserves edge features, shows a significant effect.

Mathematical modelling and simulation of a tennis racket.

PubMed

Brannigan, M; Adali, S

1981-01-01

By constructing a mathematical model, we consider the dynamics of a tennis racket hit by a ball. Using this model, known experimental results can be simulated on the computer, and it becomes possible to make a parametric study of a racket. Such a simulation is essential in the study of two important problems related to tennis: computation of the resulting forces and moments transferred to the hand should assist understanding of the medical problem 'tennis elbow'; secondly, simulation will enable a study to be made of the relationships between the impact time, tension in the strings, forces transmitted to the rim and return velocity of the ball, all of which can lead to the optimal design of rackets.

Glass microneedles for force measurements: a finite-element analysis model

PubMed Central

Ayittey, Peter N.; Walker, John S.; Rice, Jeremy J.; de Tombe, Pieter P.

2010-01-01

Changes in developed force (0.1–3.0 μN) observed during contraction of single myofibrils in response to rapidly changing calcium concentrations can be measured using glass microneedles. These microneedles are calibrated for stiffness and deflect on response to developed myofibril force. The precision and accuracy of kinetic measurements are highly dependent on the structural and mechanical characteristics of the microneedles, which are generally assumed to have a linear force–deflection relationship. We present a finite-element analysis (FEA) model used to simulate the effects of measurable geometry on stiffness as a function of applied force and validate our model with actual measured needle properties. In addition, we developed a simple heuristic constitutive equation that best describes the stiffness of our range of microneedles used and define limits of geometry parameters within which our predictions hold true. Our model also maps a relation between the geometry parameters and natural frequencies in air, enabling optimum parametric combinations for microneedle fabrication that would reflect more reliable force measurement in fluids and physiological environments. We propose a use for this model to aid in the design of microneedles to improve calibration time, reproducibility, and precision for measuring myofibrillar, cellular, and supramolecular kinetic forces. PMID:19104827

Parametric analysis of occupant ankle and tibia injuries in frontal impact

PubMed Central

Mo, Fuhao; Jiang, Xiaoqing; Duan, Shuyong; Xiao, Zhi; Shi, Wei

2017-01-01

Objective Non-fatal tibia and ankle injuries without proper protection from the restraint system has gotten wide attention from researchers. This study aimed to investigate occupant tibia and ankle injuries under realistic frontal impact environment that is rarely considered in previous experimental and simulant studies. Methods An integrated occupant-vehicle model was established by coupling an isolated car cab model and a hybrid occupant model with a biofidelic pelvis-lower limb model, while its loading conditions were extracted from the realistic full-frontal impact test. A parametric study was implemented concerning instrument panel (IP) design and pedal intrusion/rotation parameters. Results The significant influences of the IP angle, pedal intrusion and pedal rotation on tibia axial force, tibia bending moment and ankle dorsiflexion angle are noted. By coupling their effects, a new evaluation index named CAIEI (Combined Ankle Injury Evaluation Index) is established to evaluate ankle injury (including tibia fractures in ankle region) risk and severity in robustness. Conclusions Overall results and analysis indicate that ankle dorsiflexion angle should be considered when judging the injury in lower limb under frontal impact. Meanwhile, the current index with coupling effects of tibia axial force, bending moment and ankle dorsiflexion angle is in a good correlation with the simulation injury outcomes. PMID:28910377

Forced response of mistuned bladed disk assemblies

NASA Technical Reports Server (NTRS)

Watson, Brian C.; Kamat, Manohar P.; Murthy, Durbha V.

1993-01-01

A complete analytic model of mistuned bladed disk assemblies, designed to simulate the dynamical behavior of these systems, is analyzed. The model incorporates a generalized method for describing the mistuning of the assembly through the introduction of specific mistuning modes. The model is used to develop a computational bladed disk assembly model for a series of parametric studies. Results are presented demonstrating that the response amplitudes of bladed disk assemblies depend both on the excitation mode and on the mistune mode.

Light Absorption Enhancement of Black Carbon Aerosol Constrained by Particle Morphology.

PubMed

Wu, Yu; Cheng, Tianhai; Liu, Dantong; Allan, James D; Zheng, Lijuan; Chen, Hao

2018-06-19

The radiative forcing of black carbon aerosol (BC) is one of the largest sources of uncertainty in climate change assessments. Contrasting results of BC absorption enhancement ( E abs ) after aging are estimated by field measurements and modeling studies, causing ambiguous parametrizations of BC solar absorption in climate models. Here we quantify E abs using a theoretical model parametrized by the complex particle morphology of BC in different aging scales. We show that E abs continuously increases with aging and stabilizes with a maximum of ∼3.5, suggesting that previous seemingly contrast results of E abs can be explicitly described by BC aging with corresponding particle morphology. We also report that current climate models using Mie Core-Shell model may overestimate E abs at a certain aging stage with a rapid rise of E abs , which is commonly observed in the ambient. A correction coefficient for this overestimation is suggested to improve model predictions of BC climate impact.

Cumulant-based expressions for the multibody terms for the correlation between local and electrostatic interactions in the united-residue force field

NASA Astrophysics Data System (ADS)

Liwo, Adam; Czaplewski, Cezary; Pillardy, Jarosław; Scheraga, Harold A.

2001-08-01

A general method to derive site-site or united-residue potentials is presented. The basic principle of the method is the separation of the degrees of freedom of a system into the primary and secondary ones. The primary degrees of freedom describe the basic features of the system, while the secondary ones are averaged over when calculating the potential of mean force, which is hereafter referred to as the restricted free energy (RFE) function. The RFE can be factored into one-, two-, and multibody terms, using the cluster-cumulant expansion of Kubo. These factors can be assigned the functional forms of the corresponding lowest-order nonzero generalized cumulants, which can, in most cases, be evaluated analytically, after making some simplifying assumptions. This procedure to derive coarse-grain force fields is very valuable when applied to multibody terms, whose functional forms are hard to deduce in another way (e.g., from structural databases). After the functional forms have been derived, they can be parametrized based on the RFE surfaces of model systems obtained from all-atom models or on the statistics derived from structural databases. The approach has been applied to our united-residue force field for proteins. Analytical expressions were derived for the multibody terms pertaining to the correlation between local and electrostatic interactions within the polypeptide backbone; these expressions correspond to up to sixth-order terms in the cumulant expansion of the RFE. These expressions were subsequently parametrized by fitting to the RFEs of selected peptide fragments, calculated with the empirical conformational energy program for peptides force field. The new multibody terms enable not only the heretofore predictable α-helical segments, but also regular β-sheets, to form as the lowest-energy structures, as assessed by test calculations on a model helical protein A, as well as a model 20-residue polypeptide (betanova); the latter was not possible without introducing these new terms.

Analysis of gravity wave propagation and properties, comparison between WRF model simulations and LIDAR data in Southern France

NASA Astrophysics Data System (ADS)

Costantino, Lorenzo; Heinrich, Philippe

2014-05-01

Small scale atmospheric waves, usually referred as internal of Gravity Waves (GW), represent an efficient transport mechanism of energy and momentum through the atmosphere. They propagate upward from their sources in the lower atmosphere (flow over topography, convection and jet adjustment) to the middle and upper atmosphere. Depending on the horizontal wind shear, they can dissipate at different altitudes and force the atmospheric circulation of the stratosphere and mesosphere. The deposition of momentum associated with the dissipation, or wave breaking, exerts an acceleration to the mean flow, that can significantly alter the thermal and dynamical structure of the atmosphere. GW may have spatial scales that range from few to hundreds of kilometers and range from minutes to hours. For that reason, General Circulation Model (GCM) used in climate studies have generally a coarse resolution, of approximately 2-5° horizontally and 3 km vertically, in the stratosphere. This resolution is fine enough to resolve Rossby-waves but not the small-scale GW activity. Hence, to calculate the momentum-forcing generated by the unresolved waves, they use a drag parametrization which mainly consists in some tuning parameters, constrained by observations of wind circulation and temperature in the upper troposphere and middle atmosphere (Alexander et al., 2010). Traditionally, the GW Drag (GWD) parametrization is used in climate and forecasting models to adjust the structure of winter jets and the horizontal temperature gradient. It was firstly based on the parametrization of orographic waves, which represent zero-phase-speed waves generated by sub-grid topography. Regional models, with horizontal resolutions that can reach few tens or hundreds of meters, are able to directly resolve small-scale GW and may represent a valuable addition to direct observations. In the framework of the ARISE (Atmospheric dynamics Research InfraStructure in Europe) project, this study tests the capability of the Weather Research and Forecasting (WRF) model to generate and propagate GW forced by convection and orography, without any GW parametrization. Results from model simulations are compared with in-situ observations of potential energy vertical profiles in the stratosphere, measured by a LIDAR located at the Observatoire de Haute Provence (Southern France). This comparison allows, to a certain extent, to validate WRF numerical results and quantify some of those wave parameters (e.g., GW drag force, intrinsic frequency, breaking level altitude, etc..) that are fundamental for a deeper understanding of GW role in atmospheric dynamics, but that are not easily measurable by ground- or space-based systems (limited to specific region or certain latitude band). Alexander, M. J., Geller, M., McLandress, C., Polavarapu, S., Preusse, P., Sassi, F., Sato, K., Eckermann, S., Ern, M., Hertzog, A., Kawatani, Y., Pulido, M., Shaw, T. A., Sigmond, M., Vincent, R. and Watanabe, S. (2010), Recent developments in gravity-wave effects in climate models and the global distribution of gravity-wave momentum flux from observations and models. Q.J.R. Meteorol. Soc., 136: 1103-1124. doi: 10.1002/qj.637

When Will the Antarctic Ozone Hole Recover?

NASA Technical Reports Server (NTRS)

Newman, Paul A.

2006-01-01

The Antarctic ozone hole demonstrates large-scale, man-made affects on our atmosphere. Surface observations now show that human produced ozone depleting substances (ODSs) are declining. The ozone hole should soon start to diminish because of this decline. In this talk we will demonstrate an ozone hole parametric model. This model is based upon: 1) a new algorithm for estimating 61 and Br levels over Antarctica and 2) late-spring Antarctic stratospheric temperatures. This parametric model explains 95% of the ozone hole area's variance. We use future ODS levels to predict ozone hole recovery. Full recovery to 1980 levels will occur in approximately 2068. The ozone hole area will very slowly decline over the next 2 decades. Detection of a statistically significant decrease of area will not occur until approximately 2024. We further show that nominal Antarctic stratospheric greenhouse gas forced temperature change should have a small impact on the ozone hole.

When Will the Antarctic Ozone Hole Recover?

NASA Technical Reports Server (NTRS)

Newman, Paul A.; Nash, Eric R.; Kawa, S. Randolph; Montzka, Stephen A.; Schauffler, Sue

2006-01-01

The Antarctic ozone hole demonstrates large-scale, man-made affects on our atmosphere. Surface observations now show that human produced ozone depleting substances (ODSs) are declining. The ozone hole should soon start to diminish because of this decline. Herein we demonstrate an ozone hole parametric model. This model is based upon: 1) a new algorithm for estimating C1 and Br levels over Antarctica and 2) late-spring Antarctic stratospheric temperatures. This parametric model explains 95% of the ozone hole area s variance. We use future ODS levels to predict ozone hole recovery. Full recovery to 1980 levels will occur in approximately 2068. The ozone hole area will very slowly decline over the next 2 decades. Detection of a statistically significant decrease of area will not occur until approximately 2024. We further show that nominal Antarctic stratospheric greenhouse gas forced temperature change should have a small impact on the ozone hole.

Fixed-Charge Atomistic Force Fields for Molecular Dynamics Simulations in the Condensed Phase: An Overview.

PubMed

Riniker, Sereina

2018-03-26

In molecular dynamics or Monte Carlo simulations, the interactions between the particles (atoms) in the system are described by a so-called force field. The empirical functional form of classical fixed-charge force fields dates back to 1969 and remains essentially unchanged. In a fixed-charge force field, the polarization is not modeled explicitly, i.e. the effective partial charges do not change depending on conformation and environment. This simplification allows, however, a dramatic reduction in computational cost compared to polarizable force fields and in particular quantum-chemical modeling. The past decades have shown that simulations employing carefully parametrized fixed-charge force fields can provide useful insights into biological and chemical questions. This overview focuses on the four major force-field families, i.e. AMBER, CHARMM, GROMOS, and OPLS, which are based on the same classical functional form and are continuously improved to the present day. The overview is aimed at readers entering the field of (bio)molecular simulations. More experienced users may find the comparison and historical development of the force-field families interesting.

Multipolar Ewald Methods, 2: Applications Using a Quantum Mechanical Force Field

PubMed Central

2015-01-01

A fully quantum mechanical force field (QMFF) based on a modified “divide-and-conquer” (mDC) framework is applied to a series of molecular simulation applications, using a generalized Particle Mesh Ewald method extended to multipolar charge densities. Simulation results are presented for three example applications: liquid water, p-nitrophenylphosphate reactivity in solution, and crystalline N,N-dimethylglycine. Simulations of liquid water using a parametrized mDC model are compared to TIP3P and TIP4P/Ew water models and experiment. The mDC model is shown to be superior for cluster binding energies and generally comparable for bulk properties. Examination of the dissociative pathway for dephosphorylation of p-nitrophenylphosphate shows that the mDC method evaluated with the DFTB3/3OB and DFTB3/OPhyd semiempirical models bracket the experimental barrier, whereas DFTB2 and AM1/d-PhoT QM/MM simulations exhibit deficiencies in the barriers, the latter for which is related, in part, to the anomalous underestimation of the p-nitrophenylate leaving group pKa. Simulations of crystalline N,N-dimethylglycine are performed and the overall structure and atomic fluctuations are compared with the experiment and the general AMBER force field (GAFF). The QMFF, which was not parametrized for this application, was shown to be in better agreement with crystallographic data than GAFF. Our simulations highlight some of the application areas that may benefit from using new QMFFs, and they demonstrate progress toward the development of accurate QMFFs using the recently developed mDC framework. PMID:25691830

Stability analysis of a time-periodic 2-dof MEMS structure

NASA Astrophysics Data System (ADS)

Kniffka, Till Jochen; Welte, Johannes; Ecker, Horst

2012-11-01

Microelectromechanical systems (MEMS) are becoming important for all kinds of industrial applications. Among them are filters in communication devices, due to the growing demand for efficient and accurate filtering of signals. In recent developments single degree of freedom (1-dof) oscillators, that are operated at a parametric resonances, are employed for such tasks. Typically vibration damping is low in such MEM systems. While parametric excitation (PE) is used so far to take advantage of a parametric resonance, this contribution suggests to also exploit parametric anti-resonances in order to improve the damping behavior of such systems. Modeling aspects of a 2-dof MEM system and first results of the analysis of the non-linear and the linearized system are the focus of this paper. In principle the investigated system is an oscillating mechanical system with two degrees of freedom x = [x1x2]T that can be described by Mx+Cx+K1x+K3(x2)x+Fes(x,V(t)) = 0. The system is inherently non-linear because of the cubic mechanical stiffness K3 of the structure, but also because of electrostatic forces (1+cos(ωt))Fes(x) that act on the system. Electrostatic forces are generated by comb drives and are proportional to the applied time-periodic voltage V(t). These drives also provide the means to introduce time-periodic coefficients, i.e. parametric excitation (1+cos(ωt)) with frequency ω. For a realistic MEM system the coefficients of the non-linear set of differential equations need to be scaled for efficient numerical treatment. The final mathematical model is a set of four non-linear time-periodic homogeneous differential equations of first order. Numerical results are obtained from two different methods. The linearized time-periodic (LTP) system is studied by calculating the Monodromy matrix of the system. The eigenvalues of this matrix decide on the stability of the LTP-system. To study the unabridged non-linear system, the bifurcation software ManLab is employed. Continuation analysis including stability evaluations are executed and show the frequency ranges for which the 2-dof system becomes unstable due to parametric resonances. Moreover, the existence of frequency intervals are shown where enhanced damping for the system is observed for this MEMS. The results from the stability studies are confirmed by simulation results.

Using Computational Fluid Dynamics-Rigid Body Dynamic (CFD-RBD) Results to Generate Aerodynamic Models for Projectile Flight Simulation

DTIC Science & Technology

2007-09-01

also relatively easy to change the wind tunnel model to allow detailed parametric effects to be investigated. The main disadvantage of wind tunnel...as Magnus force and moment coefficients are difficult to obtain in a wind tunnel and require a complex physical wind tunnel model. Over the past...7) The terms containing YPAC constitute the Magnus air load acting at the Magnus center of pressure while the terms containing 0 2, ,X X NAC C C

Piezoelectric parametric effects on wave vibration and contact mechanics of traveling wave ultrasonic motor.

PubMed

Zhang, Dongsheng; Wang, Shiyu; Xiu, Jie

2017-11-01

Elastic wave quality determines the operating performance of traveling wave ultrasonic motor (TWUM). The time-variant circumferential force from the shrink of piezoelectric ceramic is one of the factors that distort the elastic wave. The distorted waveshape deviates from the ideal standard sinusoidal fashion and affects the contact mechanics and driving performance. An analytical dynamic model of ring ultrasonic motor is developed. Based on this model, the piezoelectric parametric effects on the wave distortion and contact mechanics are examined. Multi-scale method is employed to obtain unstable regions and distorted wave response. The unstable region is verified by Floquét theory. Since the waveshape affects the contact mechanism, a contact model involving the distorted waveshape and normal stiffness of the contact layer is established. The contact model is solved by numerical calculation. The results verify that the deformation of the contact layer deviates from sinusoidal waveshape and the pressure distribution is changed, which influences the output characteristics directly. The surface speed within the contact region is averaged such that the rotor speed decreases for lower torque and increases for larger torque. The effects from different parametric strengths, excitation frequencies and pre-pressures on pressure distribution and torque-speed relation are compared. Copyright © 2017 Elsevier B.V. All rights reserved.

Radial forcing and Edgar Allan Poe's lengthening pendulum

NASA Astrophysics Data System (ADS)

McMillan, Matthew; Blasing, David; Whitney, Heather M.

2013-09-01

Inspired by Edgar Allan Poe's The Pit and the Pendulum, we investigate a radially driven, lengthening pendulum. We first show that increasing the length of an undriven pendulum at a uniform rate does not amplify the oscillations in a manner consistent with the behavior of the scythe in Poe's story. We discuss parametric amplification and the transfer of energy (through the parameter of the pendulum's length) to the oscillating part of the system. In this manner, radial driving can easily and intuitively be understood, and the fundamental concept applied in many other areas. We propose and show by a numerical model that appropriately timed radial forcing can increase the oscillation amplitude in a manner consistent with Poe's story. Our analysis contributes a computational exploration of the complex harmonic motion that can result from radially driving a pendulum and sheds light on a mechanism by which oscillations can be amplified parametrically. These insights should prove especially valuable in the undergraduate physics classroom, where investigations into pendulums and oscillations are commonplace.

Soliton motion in a parametrically ac-driven damped Toda lattice

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

Rasmussen, K.O.; Malomed, B.A.; Bishop, A.R.

We demonstrate that a staggered parametric ac driving term can support stable progressive motion of a soliton in a Toda lattice with friction, while an unstaggered driving force cannot. A physical context of the model is that of a chain of anharmonically coupled particles adsorbed on a solid surface of a finite size. The ac driving force is generated by a standing acoustic wave excited on the surface. Simulations demonstrate that the state left behind the moving soliton, with the particles shifted from their equilibrium positions, gradually relaxes back to the equilibrium state that existed before the passage of themore » soliton. The perturbation theory predicts that the ac-driven soliton exists if the amplitude of the drive exceeds a certain threshold. The analytical prediction for the threshold is in reasonable agreement with that found numerically. Collisions between two counterpropagating solitons is also simulated, demonstrating that the collisions are, effectively, fully elastic. {copyright} {ital 1998} {ital The American Physical Society}« less

The electronegativity equalization method and the split charge equilibration applied to organic systems: parametrization, validation, and comparison.

PubMed

Verstraelen, Toon; Van Speybroeck, Veronique; Waroquier, Michel

2009-07-28

An extensive benchmark of the electronegativity equalization method (EEM) and the split charge equilibration (SQE) model on a very diverse set of organic molecules is presented. These models efficiently compute atomic partial charges and are used in the development of polarizable force fields. The predicted partial charges that depend on empirical parameters are calibrated to reproduce results from quantum mechanical calculations. Recently, SQE is presented as an extension of the EEM to obtain the correct size dependence of the molecular polarizability. In this work, 12 parametrization protocols are applied to each model and the optimal parameters are benchmarked systematically. The training data for the empirical parameters comprise of MP2/Aug-CC-pVDZ calculations on 500 organic molecules containing the elements H, C, N, O, F, S, Cl, and Br. These molecules have been selected by an ingenious and autonomous protocol from an initial set of almost 500,000 small organic molecules. It is clear that the SQE model outperforms the EEM in all benchmark assessments. When using Hirshfeld-I charges for the calibration, the SQE model optimally reproduces the molecular electrostatic potential from the ab initio calculations. Applications on chain molecules, i.e., alkanes, alkenes, and alpha alanine helices, confirm that the EEM gives rise to a divergent behavior for the polarizability, while the SQE model shows the correct trends. We conclude that the SQE model is an essential component of a polarizable force field, showing several advantages over the original EEM.

Supercritical nonlinear parametric dynamics of Timoshenko microbeams

NASA Astrophysics Data System (ADS)

Farokhi, Hamed; Ghayesh, Mergen H.

2018-06-01

The nonlinear supercritical parametric dynamics of a Timoshenko microbeam subject to an axial harmonic excitation force is examined theoretically, by means of different numerical techniques, and employing a high-dimensional analysis. The time-variant axial load is assumed to consist of a mean value along with harmonic fluctuations. In terms of modelling, a continuous expression for the elastic potential energy of the system is developed based on the modified couple stress theory, taking into account small-size effects; the kinetic energy of the system is also modelled as a continuous function of the displacement field. Hamilton's principle is employed to balance the energies and to obtain the continuous model of the system. Employing the Galerkin scheme along with an assumed-mode technique, the energy terms are reduced, yielding a second-order reduced-order model with finite number of degrees of freedom. A transformation is carried out to convert the second-order reduced-order model into a double-dimensional first order one. A bifurcation analysis is performed for the system in the absence of the axial load fluctuations. Moreover, a mean value for the axial load is selected in the supercritical range, and the principal parametric resonant response, due to the time-variant component of the axial load, is obtained - as opposed to transversely excited systems, for parametrically excited system (such as our problem here), the nonlinear resonance occurs in the vicinity of twice any natural frequency of the linear system; this is accomplished via use of the pseudo-arclength continuation technique, a direct time integration, an eigenvalue analysis, and the Floquet theory for stability. The natural frequencies of the system prior to and beyond buckling are also determined. Moreover, the effect of different system parameters on the nonlinear supercritical parametric dynamics of the system is analysed, with special consideration to the effect of the length-scale parameter.

Determination of Mechanical Properties of Spatially Heterogeneous Breast Tissue Specimens Using Contact Mode Atomic Force Microscopy (AFM)

PubMed Central

Roy, Rajarshi; Desai, Jaydev P.

2016-01-01

This paper outlines a comprehensive parametric approach for quantifying mechanical properties of spatially heterogeneous thin biological specimens such as human breast tissue using contact-mode Atomic Force Microscopy. Using inverse finite element (FE) analysis of spherical nanoindentation, the force response from hyperelastic material models is compared with the predicted force response from existing analytical contact models, and a sensitivity study is carried out to assess uniqueness of the inverse FE solution. Furthermore, an automation strategy is proposed to analyze AFM force curves with varying levels of material nonlinearity with minimal user intervention. Implementation of our approach on an elastic map acquired from raster AFM indentation of breast tissue specimens indicates that a judicious combination of analytical and numerical techniques allow more accurate interpretation of AFM indentation data compared to relying on purely analytical contact models, while keeping the computational cost associated an inverse FE solution with reasonable limits. The results reported in this study have several implications in performing unsupervised data analysis on AFM indentation measurements on a wide variety of heterogeneous biomaterials. PMID:25015130

Modelled glacier dynamics over the last quarter of a century at Jakobshavn Isbræ

NASA Astrophysics Data System (ADS)

Muresan, Ioana S.; Khan, Shfaqat A.; Aschwanden, Andy; Khroulev, Constantine; Van Dam, Tonie; Bamber, Jonathan; van den Broeke, Michiel R.; Wouters, Bert; Kuipers Munneke, Peter; Kjær, Kurt H.

2016-03-01

Observations over the past 2 decades show substantial ice loss associated with the speed-up of marine-terminating glaciers in Greenland. Here we use a regional three-dimensional outlet glacier model to simulate the behaviour of Jakobshavn Isbræ (JI) located in western Greenland. Our approach is to model and understand the recent behaviour of JI with a physical process-based model. Using atmospheric forcing and an ocean parametrization we tune our model to reproduce observed frontal changes of JI during 1990-2014. In our simulations, most of the JI retreat during 1990-2014 is driven by the ocean parametrization used and the glacier's subsequent response, which is largely governed by bed geometry. In general, the study shows significant progress in modelling the temporal variability of the flow at JI. Our results suggest that the overall variability in modelled horizontal velocities is a response to variations in terminus position. The model simulates two major accelerations that are consistent with observations of changes in glacier terminus. The first event occurred in 1998 and was triggered by a retreat of the front and moderate thinning of JI prior to 1998. The second event, which started in 2003 and peaked in the summer 2004, was triggered by the final break-up of the floating tongue. This break-up reduced the buttressing at the JI terminus that resulted in further thinning. As the terminus retreated over a reverse bed slope into deeper water, sustained high velocities over the last decade have been observed at JI. Our model provides evidence that the 1998 and 2003 flow accelerations are most likely initiated by the ocean parametrization used but JI's subsequent dynamic response was governed by its own bed geometry. We are unable to reproduce the observed 2010-2012 terminus retreat in our simulations. We attribute this limitation to either inaccuracies in basal topography or to misrepresentations of the climatic forcings that were applied. Nevertheless, the model is able to simulate the previously observed increase in mass loss through 2014.

A parametric simulation of solar chimney power plant

NASA Astrophysics Data System (ADS)

Beng Hooi, Lim; Kannan Thangavelu, Saravana

2018-01-01

The strong solar radiation, continuous supplies of sunlight and environmental friendly factors have made the solar chimney power plant becoming highly feasible to build in Malaysia. Solar chimney power plant produces upward buoyancy force through the greenhouse effect. Numerical simulation was performed on the model of a solar chimney power plant using the ANSYS Fluent software by applying standard k-epsilon turbulence model and discrete ordinates (DO) radiation model to solve the relevant equations. A parametric study was carried out to evaluate the performance of solar chimney power plant, which focused on the temperature rise in the collector, air velocity at the chimney base, and pressure drop inside the chimney were based on the results of temperature, velocity, and static pressure distributions. The results demonstrate reliability by comparing a model with the experimental data of Manzanares Spanish prototype. Based on the numerical results, power capacity and efficiency were analysed theoretically. Results indicate that a stronger solar radiation and larger prototype will improve the performance of solar chimney power plant.

Parametric amplification in a resonant sensing array

NASA Astrophysics Data System (ADS)

Yie, Zi; Miller, Nicholas J.; Shaw, Steven W.; Turner, Kimberly L.

2012-03-01

We demonstrate parametric amplification of a multidegree of freedom resonant mass sensing array via an applied base motion containing the appropriate frequency content and phases. Applying parametric forcing in this manner is simple and aligns naturally with the vibrational properties of the sensing structure. Using this technique, we observe an increase in the quality factors of the coupled array resonances, which provides an effective means of improving device sensitivity.

Surface shear stress dependence of gas transfer velocity parameterizations using DNS

NASA Astrophysics Data System (ADS)

Fredriksson, S. T.; Arneborg, L.; Nilsson, H.; Handler, R. A.

2016-10-01

Air-water gas-exchange is studied in direct numerical simulations (DNS) of free-surface flows driven by natural convection and weak winds. The wind is modeled as a constant surface-shear-stress and the gas-transfer is modeled via a passive scalar. The simulations are characterized via a Richardson number Ri=Bν/u*4 where B, ν, and u* are the buoyancy flux, kinematic viscosity, and friction velocity respectively. The simulations comprise 0Ric or kg=AShearu*Sc-n, Ri

Parametric Study of Reactive Melt Infiltration

NASA Technical Reports Server (NTRS)

Nelson, Emily S.; Colella, Phillip

2000-01-01

Reactive melt infiltration is viewed as a promising means of achieving near-net shape manufacturing with quick processing time and at low cost. Since the reactants and products are, in general, of varying density, overall conservation of mass dictates that there is a force related to chemical conversion which can directly influence infiltration behavior. In effect, the driving pressure forces may compete with the forces from chemical conversion, affecting the advancement of the front. We have developed a two-dimensional numerical code to examine these effects, using reaction-formed silicon carbide as a model system for this process. We have examined a range of initial porosities, pore radii, and reaction rates in order to investigate their effects on infiltration dynamics.

Testing a new flux rope model using the HELCATS CME catalogue

NASA Astrophysics Data System (ADS)

Rouillard, Alexis Paul; Lavarra, Michael

2017-04-01

We present a magnetically-driven flux rope model that computes the forces acting on a twisted magnetic flux rope from the Sun to 1AU. This model assumes a more realistic flux rope geometry than assumed before by these types of models. The balance of force is computed in an analogous manner to the well-known Chen flux-rope model. The 3-D vector components of the magnetic field measured by a probe flying through the flux rope can be extracted for any flux rope orientation imposed near the Sun. We test this model through a parametric study and a systematic comparison of the model with the HELCATS catalogues (imagery and in situ). We also report on our investigations of other physical mechanisms such as the shift of flux-surfaces associated with the magnetic forces acting to accelerate the flux rope from the lower to upper corona. Finally, we present an evaluation of this model for space-weather predictions. This work was partly funded by the HELCATS project under the FP7 EU contract number 606692.

Radiative Forcing by Contrails

NASA Technical Reports Server (NTRS)

Meerkoetter, R.; Schumann, U.; Doelling, D. R.; Nakajima, T.; Tsushima, Y.

1999-01-01

A parametric study of the instantaneous radiative impact of contrails is presented using three different radiative transfer models for a series of model atmospheres and cloud parameters. Contrails are treated as geometrically and optically thin plane parallel homogeneous cirrus layers in a static atmospheres The ice water content is varied as a function of ambient temperature. The model atmospheres include tropical, mid-latitude, and subarctic summer and winter atmospheres Optically thin contrails cause a positive net forcing at top of the atmosphere. At the surface the radiative forcing is negative during daytime. The forcing increases with the optical depth and the amount of contrail cover. At the top of the atmosphere a mean contrail cover of 0.1% with average optical depth of 0.2 to 0.5 causes about 0.01 to 0.03 W/m(exp 2)a daily mean instantaneous radiative forcing. Contrails cool the surface during the day and heat the surface during the night, and hence reduce the daily temperature amplitude The net effect depends strongly on the daily variation of contrail cloud cover. The indirect radiative forcing due to particle changes in natural cirrus clouds may be of the same magnitude as the direct one due to additional cover.

Flexible Force Field Parameterization through Fitting on the Ab Initio-Derived Elastic Tensor

PubMed Central

2017-01-01

Constructing functional forms and their corresponding force field parameters for the metal–linker interface of metal–organic frameworks is challenging. We propose fitting these parameters on the elastic tensor, computed from ab initio density functional theory calculations. The advantage of this top-down approach is that it becomes evident if functional forms are missing when components of the elastic tensor are off. As a proof-of-concept, a new flexible force field for MIL-47(V) is derived. Negative thermal expansion is observed and framework flexibility has a negligible effect on adsorption and transport properties for small guest molecules. We believe that this force field parametrization approach can serve as a useful tool for developing accurate flexible force field models that capture the correct mechanical behavior of the full periodic structure. PMID:28661672

First Demonstration of Electrostatic Damping of Parametric Instability at Advanced LIGO

NASA Astrophysics Data System (ADS)

Blair, Carl; Gras, Slawek; Abbott, Richard; Aston, Stuart; Betzwieser, Joseph; Blair, David; DeRosa, Ryan; Evans, Matthew; Frolov, Valera; Fritschel, Peter; Grote, Hartmut; Hardwick, Terra; Liu, Jian; Lormand, Marc; Miller, John; Mullavey, Adam; O'Reilly, Brian; Zhao, Chunnong; Abbott, B. P.; Abbott, T. D.; Adams, C.; Adhikari, R. X.; Anderson, S. B.; Ananyeva, A.; Appert, S.; Arai, K.; Ballmer, S. W.; Barker, D.; Barr, B.; Barsotti, L.; Bartlett, J.; Bartos, I.; Batch, J. C.; Bell, A. S.; Billingsley, G.; Birch, J.; Biscans, S.; Biwer, C.; Bork, R.; Brooks, A. F.; Ciani, G.; Clara, F.; Countryman, S. T.; Cowart, M. J.; Coyne, D. C.; Cumming, A.; Cunningham, L.; Danzmann, K.; Da Silva Costa, C. F.; Daw, E. J.; DeBra, D.; DeSalvo, R.; Dooley, K. L.; Doravari, S.; Driggers, J. C.; Dwyer, S. E.; Effler, A.; Etzel, T.; Evans, T. M.; Factourovich, M.; Fair, H.; Fernández Galiana, A.; Fisher, R. P.; Fulda, P.; Fyffe, M.; Giaime, J. A.; Giardina, K. D.; Goetz, E.; Goetz, R.; Gray, C.; Gushwa, K. E.; Gustafson, E. K.; Gustafson, R.; Hall, E. D.; Hammond, G.; Hanks, J.; Hanson, J.; Harry, G. M.; Heintze, M. C.; Heptonstall, A. W.; Hough, J.; Izumi, K.; Jones, R.; Kandhasamy, S.; Karki, S.; Kasprzack, M.; Kaufer, S.; Kawabe, K.; Kijbunchoo, N.; King, E. J.; King, P. J.; Kissel, J. S.; Korth, W. Z.; Kuehn, G.; Landry, M.; Lantz, B.; Lockerbie, N. A.; Lundgren, A. P.; MacInnis, M.; Macleod, D. M.; Márka, S.; Márka, Z.; Markosyan, A. S.; Maros, E.; Martin, I. W.; Martynov, D. V.; Mason, K.; Massinger, T. J.; Matichard, F.; Mavalvala, N.; McCarthy, R.; McClelland, D. E.; McCormick, S.; McIntyre, G.; McIver, J.; Mendell, G.; Merilh, E. L.; Meyers, P. M.; Mittleman, R.; Moreno, G.; Mueller, G.; Munch, J.; Nuttall, L. K.; Oberling, J.; Oppermann, P.; Oram, Richard J.; Ottaway, D. J.; Overmier, H.; Palamos, J. R.; Paris, H. R.; Parker, W.; Pele, A.; Penn, S.; Phelps, M.; Pierro, V.; Pinto, I.; Principe, M.; Prokhorov, L. G.; Puncken, O.; Quetschke, V.; Quintero, E. A.; Raab, F. J.; Radkins, H.; Raffai, P.; Reid, S.; Reitze, D. H.; Robertson, N. A.; Rollins, J. G.; Roma, V. J.; Romie, J. H.; Rowan, S.; Ryan, K.; Sadecki, T.; Sanchez, E. J.; Sandberg, V.; Savage, R. L.; Schofield, R. M. S.; Sellers, D.; Shaddock, D. A.; Shaffer, T. J.; Shapiro, B.; Shawhan, P.; Shoemaker, D. H.; Sigg, D.; Slagmolen, B. J. J.; Smith, B.; Smith, J. R.; Sorazu, B.; Staley, A.; Strain, K. A.; Tanner, D. B.; Taylor, R.; Thomas, M.; Thomas, P.; Thorne, K. A.; Thrane, E.; Torrie, C. I.; Traylor, G.; Vajente, G.; Valdes, G.; van Veggel, A. A.; Vecchio, A.; Veitch, P. J.; Venkateswara, K.; Vo, T.; Vorvick, C.; Walker, M.; Ward, R. L.; Warner, J.; Weaver, B.; Weiss, R.; Weßels, P.; Willke, B.; Wipf, C. C.; Worden, J.; Wu, G.; Yamamoto, H.; Yancey, C. C.; Yu, Hang; Yu, Haocun; Zhang, L.; Zucker, M. E.; Zweizig, J.; LSC Instrument Authors

2017-04-01

Interferometric gravitational wave detectors operate with high optical power in their arms in order to achieve high shot-noise limited strain sensitivity. A significant limitation to increasing the optical power is the phenomenon of three-mode parametric instabilities, in which the laser field in the arm cavities is scattered into higher-order optical modes by acoustic modes of the cavity mirrors. The optical modes can further drive the acoustic modes via radiation pressure, potentially producing an exponential buildup. One proposed technique to stabilize parametric instability is active damping of acoustic modes. We report here the first demonstration of damping a parametrically unstable mode using active feedback forces on the cavity mirror. A 15 538 Hz mode that grew exponentially with a time constant of 182 sec was damped using electrostatic actuation, with a resulting decay time constant of 23 sec. An average control force of 0.03 nN was required to maintain the acoustic mode at its minimum amplitude.

Parametric and non-parametric modeling of short-term synaptic plasticity. Part I: computational study

PubMed Central

Marmarelis, Vasilis Z.; Berger, Theodore W.

2009-01-01

Parametric and non-parametric modeling methods are combined to study the short-term plasticity (STP) of synapses in the central nervous system (CNS). The nonlinear dynamics of STP are modeled by means: (1) previously proposed parametric models based on mechanistic hypotheses and/or specific dynamical processes, and (2) non-parametric models (in the form of Volterra kernels) that transforms the presynaptic signals into postsynaptic signals. In order to synergistically use the two approaches, we estimate the Volterra kernels of the parametric models of STP for four types of synapses using synthetic broadband input–output data. Results show that the non-parametric models accurately and efficiently replicate the input–output transformations of the parametric models. Volterra kernels provide a general and quantitative representation of the STP. PMID:18506609

Finite-time adaptive sliding mode force control for electro-hydraulic load simulator based on improved GMS friction model

NASA Astrophysics Data System (ADS)

Kang, Shuo; Yan, Hao; Dong, Lijing; Li, Changchun

2018-03-01

This paper addresses the force tracking problem of electro-hydraulic load simulator under the influence of nonlinear friction and uncertain disturbance. A nonlinear system model combined with the improved generalized Maxwell-slip (GMS) friction model is firstly derived to describe the characteristics of load simulator system more accurately. Then, by using particle swarm optimization (PSO) algorithm ​combined with the system hysteresis characteristic analysis, the GMS friction parameters are identified. To compensate for nonlinear friction and uncertain disturbance, a finite-time adaptive sliding mode control method is proposed based on the accurate system model. This controller has the ability to ensure that the system state moves along the nonlinear sliding surface to steady state in a short time as well as good dynamic properties under the influence of parametric uncertainties and disturbance, which further improves the force loading accuracy and rapidity. At the end of this work, simulation and experimental results are employed to demonstrate the effectiveness of the proposed sliding mode control strategy.

Transient multi-physics analysis of a magnetorheological shock absorber with the inverse Jiles-Atherton hysteresis model

NASA Astrophysics Data System (ADS)

Zheng, Jiajia; Li, Yancheng; Li, Zhaochun; Wang, Jiong

2015-10-01

This paper presents multi-physics modeling of an MR absorber considering the magnetic hysteresis to capture the nonlinear relationship between the applied current and the generated force under impact loading. The magnetic field, temperature field, and fluid dynamics are represented by the Maxwell equations, conjugate heat transfer equations, and Navier-Stokes equations. These fields are coupled through the apparent viscosity and the magnetic force, both of which in turn depend on the magnetic flux density and the temperature. Based on a parametric study, an inverse Jiles-Atherton hysteresis model is used and implemented for the magnetic field simulation. The temperature rise of the MR fluid in the annular gap caused by core loss (i.e. eddy current loss and hysteresis loss) and fluid motion is computed to investigate the current-force behavior. A group of impulsive tests was performed for the manufactured MR absorber with step exciting currents. The numerical and experimental results showed good agreement, which validates the effectiveness of the proposed multi-physics FEA model.

Experimentally validated 3D MD model for AFM-based tip-based nanomanufacturing

NASA Astrophysics Data System (ADS)

Promyoo, Rapeepan

In order to control AFM-based TBN to produce precise nano-geometry efficiently, there is a need to conduct a more focused study of the effects of different parameters, such as feed, speed, and depth of cut on the process performance and outcome. This is achieved by experimentally validating a MD simulation model of nanomachining, and using it to conduct parametric studies to guide AFM-based TBN. A 3D MD model with a larger domain size was developed and used to gain a unique insight into the nanoindentation and nanoscratching processes such as the effect of tip speed (e.g. effect of tip speed on indentation force above 10 nm of indentation depth). The model also supported a more comprehensive parametric study (than other published work) in terms of number of parameters and ranges of values investigated, as well as a more cost effective design of experiments. The model was also used to predict material properties at the nanoscale (e.g. hardness of gold predicted within 6% error). On the other hand, a comprehensive experimental parametric study was conducted to produce a database that is used to select proper machining conditions for guiding the fabrication of nanochannels (e.g. scratch rate = 0.996 Hz, trigger threshold = 1 V, for achieving a nanochannel depth = 50 nm for the case of gold device). Similar trends for the variation of indentation force with depth of cut, pattern of the material pile-up around the indentation mark or scratched groove were found. The parametric studies conducted using both MD model simulations and AFM experiments showed the following: Normal forces for both nanoindentation and nanoscratching increase as the depth of cut increases. The indentation depth increases with tip speed, but the depth of scratch decrease with increasing tip speed. The width and depth of scratched groove also depend on the scratch angle. The recommended scratch angle is at 90°. The surface roughness increases with step over, especially when the step over is larger than the tip radius. The depth of cut also increases as the step over decreases. Additional study is conducted using the MD model to understand the effect of crystal structure and defects in material when subjected to a stress. Several types of defects, including vacancies and Shockley partial dislocation loops, can be observed during the MD simulation for the case of gold, copper and aluminum. Finally, AFM-based TBN is used with photolithography to fabricate a nano-fluidic device for medical application. In fact, the photolithography process is used to create microchannels on top of a silicon wafer, and AFM-based TBN is applied to fabricate nanochannels between the microchannels that connect to the reservoirs. Fluid flow test was conducted on the devices to ensure that the nanochannel was open and the bonding sealed.

Beyond-proximity-force-approximation Casimir force between two spheres at finite temperature

NASA Astrophysics Data System (ADS)

Bimonte, Giuseppe

2018-04-01

A recent experiment [J. L. Garrett, D. A. T. Somers, and J. N. Munday, Phys. Rev. Lett. 120, 040401 (2018), 10.1103/PhysRevLett.120.040401] measured for the first time the gradient of the Casimir force between two gold spheres at room temperature. The theoretical analysis of the data was carried out using the standard proximity force approximation (PFA). A fit of the data, using a parametrization of the force valid for the sphere-plate geometry, was used by the authors to place a bound on deviations from PFA. Motivated by this work, we compute the Casimir force between two gold spheres at finite temperature. The semianalytic formula for the Casimir force that we construct is valid for all separations, and can be easily used to interpret future experiments in both the sphere-plate and sphere-sphere configurations. We describe the correct parametrization of the corrections to PFA for two spheres that should be used in data analysis.

Estimating trends in the global mean temperature record

NASA Astrophysics Data System (ADS)

Poppick, Andrew; Moyer, Elisabeth J.; Stein, Michael L.

2017-06-01

Given uncertainties in physical theory and numerical climate simulations, the historical temperature record is often used as a source of empirical information about climate change. Many historical trend analyses appear to de-emphasize physical and statistical assumptions: examples include regression models that treat time rather than radiative forcing as the relevant covariate, and time series methods that account for internal variability in nonparametric rather than parametric ways. However, given a limited data record and the presence of internal variability, estimating radiatively forced temperature trends in the historical record necessarily requires some assumptions. Ostensibly empirical methods can also involve an inherent conflict in assumptions: they require data records that are short enough for naive trend models to be applicable, but long enough for long-timescale internal variability to be accounted for. In the context of global mean temperatures, empirical methods that appear to de-emphasize assumptions can therefore produce misleading inferences, because the trend over the twentieth century is complex and the scale of temporal correlation is long relative to the length of the data record. We illustrate here how a simple but physically motivated trend model can provide better-fitting and more broadly applicable trend estimates and can allow for a wider array of questions to be addressed. In particular, the model allows one to distinguish, within a single statistical framework, between uncertainties in the shorter-term vs. longer-term response to radiative forcing, with implications not only on historical trends but also on uncertainties in future projections. We also investigate the consequence on inferred uncertainties of the choice of a statistical description of internal variability. While nonparametric methods may seem to avoid making explicit assumptions, we demonstrate how even misspecified parametric statistical methods, if attuned to the important characteristics of internal variability, can result in more accurate uncertainty statements about trends.

Unsteady wind loads for TMT: replacing parametric models with CFD

NASA Astrophysics Data System (ADS)

MacMartin, Douglas G.; Vogiatzis, Konstantinos

2014-08-01

Unsteady wind loads due to turbulence inside the telescope enclosure result in image jitter and higher-order image degradation due to M1 segment motion. Advances in computational fluid dynamics (CFD) allow unsteady simulations of the flow around realistic telescope geometry, in order to compute the unsteady forces due to wind turbulence. These simulations can then be used to understand the characteristics of the wind loads. Previous estimates used a parametric model based on a number of assumptions about the wind characteristics, such as a von Karman spectrum and frozen-flow turbulence across M1, and relied on CFD only to estimate parameters such as mean wind speed and turbulent kinetic energy. Using the CFD-computed forces avoids the need for assumptions regarding the flow. We discuss here both the loads on the telescope that lead to image jitter, and the spatially-varying force distribution across the primary mirror, using simulations with the Thirty Meter Telescope (TMT) geometry. The amplitude, temporal spectrum, and spatial distribution of wind disturbances are all estimated; these are then used to compute the resulting image motion and degradation. There are several key differences relative to our earlier parametric model. First, the TMT enclosure provides sufficient wind reduction at the top end (near M2) to render the larger cross-sectional structural areas further inside the enclosure (including M1) significant in determining the overall image jitter. Second, the temporal spectrum is not von Karman as the turbulence is not fully developed; this applies both in predicting image jitter and M1 segment motion. And third, for loads on M1, the spatial characteristics are not consistent with propagating a frozen-flow turbulence screen across the mirror: Frozen flow would result in a relationship between temporal frequency content and spatial frequency content that does not hold in the CFD predictions. Incorporating the new estimates of wind load characteristics into TMT response predictions leads to revised estimates of the response of TMT to wind turbulence, and validates the aerodynamic design of the enclosure.

On the non-proportionality between wheel/rail contact forces and speed during wheelset passage over specific welds

NASA Astrophysics Data System (ADS)

Correa, Nekane; Vadillo, Ernesto G.; Santamaria, Javier; Blanco-Lorenzo, Julio

2018-01-01

This study investigates the influence on the wheel-rail contact forces of the running speed and the shape and position of weld defects along the track. For this purpose, a vertical dynamic model in the space domain is used. The model is obtained from the transformation between the domains of frequency and space using a Rational Fraction Polynomials (RFP) method, which is modified with multiobjective genetic algorithms in order to improve the fitting of track receptance and to assist integration during simulations. This produces a precise model with short calculation times, which is essential to this study. The wheel-rail contact is modelled using a non-linear Hertz spring. The contact forces are studied for several types of characteristic welds. The way in which forces vary as a function of weld position and running speed is studied for each type of weld. This paper studies some of the factors that affect the maximum forces when the vehicle moves over a rail weld, such as weld geometry, parametric excitation and contact stiffness. It is found that the maximum force in the wheel-rail contact when the vehicle moves over a weld is not always proportional to the running speed. The paper explains why it is not proportional in specific welds.

Panel Flutter Emulation Using a Few Concentrated Forces

NASA Astrophysics Data System (ADS)

Dhital, Kailash; Han, Jae-Hung

2018-04-01

The objective of this paper is to study the feasibility of panel flutter emulation using a few concentrated forces. The concentrated forces are considered to be equivalent to aerodynamic forces. The equivalence is carried out using surface spline method and principle of virtual work. The structural modeling of the plate is based on the classical plate theory and the aerodynamic modeling is based on the piston theory. The present approach differs from the linear panel flutter analysis in scheming the modal aerodynamics forces with unchanged structural properties. The solutions for the flutter problem are obtained numerically using the standard eigenvalue procedure. A few concentrated forces were considered with an optimization effort to decide their optimal locations. The optimization process is based on minimizing the error between the flutter bounds from emulated and linear flutter analysis method. The emulated flutter results for the square plate of four different boundary conditions using six concentrated forces are obtained with minimal error to the reference value. The results demonstrated the workability and viability of using concentrated forces in emulating real panel flutter. In addition, the paper includes the parametric studies of linear panel flutter whose proper literatures are not available.

Refinement of the Cornell et al. Nucleic Acids Force Field Based on Reference Quantum Chemical Calculations of Glycosidic Torsion Profiles

PubMed Central

2011-01-01

We report a reparameterization of the glycosidic torsion χ of the Cornell et al. AMBER force field for RNA, χOL. The parameters remove destabilization of the anti region found in the ff99 force field and thus prevent formation of spurious ladder-like structural distortions in RNA simulations. They also improve the description of the syn region and the syn–anti balance as well as enhance MD simulations of various RNA structures. Although χOL can be combined with both ff99 and ff99bsc0, we recommend the latter. We do not recommend using χOL for B-DNA because it does not improve upon ff99bsc0 for canonical structures. However, it might be useful in simulations of DNA molecules containing syn nucleotides. Our parametrization is based on high-level QM calculations and differs from conventional parametrization approaches in that it incorporates some previously neglected solvation-related effects (which appear to be essential for obtaining correct anti/high-anti balance). Our χOL force field is compared with several previous glycosidic torsion parametrizations. PMID:21921995

Parametric Estimation of Load for Air Force Data Centers

DTIC Science & Technology

2015-03-27

R. Nelson, L. Orsenigo and S . Winter, "’History-friendly’ models of industry evolution : the computer industry," Industrial and Corporate Change...34’History-friendly’ models of industry evolution : the computer industry," Industrial and Corporate Change, vol. 8, no. 1, pp. 3-40, 1999. [7] VMWare...NAME( S ) AND ADDRESS(ES) Vinh Phung, 38ES/ENOC 5813 Arnold St, Building 4064 Tinker AFB OK 73145-8120 COM : 405-734-7461, vinh.phung@us.af.mil 10

Unstable force analysis for induction motor eccentricity

NASA Astrophysics Data System (ADS)

Han, Xu; Palazzolo, Alan

2016-05-01

The increasing popularity of motors in machinery trains has led to an intensified interest in the forces they produce that may influence machinery vibration. Motor design typically assumes a uniform air gap, however in practice all motors operate with the rotor slightly displaced from the motor centerline in what is referred to as an eccentric position. Rotor center eccentricity can cause a radially unbalanced magnetic field when the motor is operating. This will results in both a radial force pulling the motor further away from the center, and a tangential force which can induce a vibration stability problem. In this paper, a magnetic equivalent circuit MEC modeling method is proposed to calculate both the radial and tangential motor eccentric force. The treatment of tangential force determination is rarely addressed, but it is very important for rotordynamic vibration stability evaluation. The proposed model is also coupled with the motor electric circuit model to provide capability for transient vibration simulations. FEM is used to verify the MEC model. A parametric study is performed on the motor radial and tangential eccentric forces. Also a Jeffcott rotor model is used to study the influence of the motor eccentric force on mechanical vibration stability and nonlinear behavior. Furthermore, a stability criteria for the bearing damping is provided. The motor radial and tangential eccentric forces are both curved fitted to include their nonlinearity in time domain transient simulation for both a Jeffcott rotor model and a geared machinery train with coupled torsional-lateral motion. Nonlinear motions are observed, including limit cycles and bifurcation induced vibration amplitude jumps.

A combined theoretical and in vitro modeling approach for predicting the magnetic capture and retention of magnetic nanoparticles in vivo

PubMed Central

David, Allan E.; Cole, Adam J.; Chertok, Beata; Park, Yoon Shin; Yang, Victor C.

2011-01-01

Magnetic nanoparticles (MNP) continue to draw considerable attention as potential diagnostic and therapeutic tools in the fight against cancer. Although many interacting forces present themselves during magnetic targeting of MNP to tumors, most theoretical considerations of this process ignore all except for the magnetic and drag forces. Our validation of a simple in vitro model against in vivo data, and subsequent reproduction of the in vitro results with a theoretical model indicated that these two forces do indeed dominate the magnetic capture of MNP. However, because nanoparticles can be subject to aggregation, and large MNP experience an increased magnetic force, the effects of surface forces on MNP stability cannot be ignored. We accounted for the aggregating surface forces simply by measuring the size of MNP retained from flow by magnetic fields, and utilized this size in the mathematical model. This presumably accounted for all particle-particle interactions, including those between magnetic dipoles. Thus, our “corrected” mathematical model provided a reasonable estimate of not only fractional MNP retention, but also predicted the regions of accumulation in a simulated capillary. Furthermore, the model was also utilized to calculate the effects of MNP size and spatial location, relative to the magnet, on targeting of MNPs to tumors. This combination of an in vitro model with a theoretical model could potentially assist with parametric evaluations of magnetic targeting, and enable rapid enhancement and optimization of magnetic targeting methodologies. PMID:21295085

MCPB.py: A Python Based Metal Center Parameter Builder.

PubMed

Li, Pengfei; Merz, Kenneth M

2016-04-25

MCPB.py, a python based metal center parameter builder, has been developed to build force fields for the simulation of metal complexes employing the bonded model approach. It has an optimized code structure, with far fewer required steps than the previous developed MCPB program. It supports various AMBER force fields and more than 80 metal ions. A series of parametrization schemes to derive force constants and charge parameters are available within the program. We give two examples (one metalloprotein example and one organometallic compound example), indicating the program's ability to build reliable force fields for different metal ion containing complexes. The original version was released with AmberTools15. It is provided via the GNU General Public License v3.0 (GNU_GPL_v3) agreement and is free to download and distribute. MCPB.py provides a bridge between quantum mechanical calculations and molecular dynamics simulation software packages thereby enabling the modeling of metal ion centers. It offers an entry into simulating metal ions in a number of situations by providing an efficient way for researchers to handle the vagaries and difficulties associated with metal ion modeling.

Water models based on a single potential energy surface and different molecular degrees of freedom

NASA Astrophysics Data System (ADS)

Saint-Martin, Humberto; Hernández-Cobos, Jorge; Ortega-Blake, Iván

2005-06-01

Up to now it has not been possible to neatly assess whether a deficient performance of a model is due to poor parametrization of the force field or the lack of inclusion of enough molecular properties. This work compares several molecular models in the framework of the same force field, which was designed to include many-body nonadditive effects: (a) a polarizable and flexible molecule with constraints that account for the quantal nature of the vibration [B. Hess, H. Saint-Martin, and H. J. C. Berendsen, J. Chem. Phys. 116, 9602 (2002), H. Saint-Martin, B. Hess, and H. J. C. Berendsen, J. Chem. Phys. 120, 11133 (2004)], (b) a polarizable and classically flexible molecule [H. Saint-Martin, J. Hernández-Cobos, M. I. Bernal-Uruchurtu, I. Ortega-Blake, and H. J. C. Berendsen, J. Chem. Phys. 113, 10899 (2000)], (c) a polarizable and rigid molecule, and finally (d) a nonpolarizable and rigid molecule. The goal is to determine how significant the different molecular properties are. The results indicate that all factors—nonadditivity, polarizability, and intramolecular flexibility—are important. Still, approximations can be made in order to diminish the computational cost of the simulations with a small decrease in the accuracy of the predictions, provided that those approximations are counterbalanced by the proper inclusion of an effective molecular property, that is, an average molecular geometry or an average dipole. Hence instead of building an effective force field by parametrizing it in order to reproduce the properties of a specific phase, a building approach is proposed that is based on adequately restricting the molecular flexibility and/or polarizability of a model potential fitted to unimolecular properties, pair interactions, and many-body nonadditive contributions. In this manner, the same parental model can be used to simulate the same substance under a wide range of thermodynamic conditions. An additional advantage of this approach is that, as the force field improves by the quality of the molecular calculations, all levels of modeling can be improved.

Estimation of aerosol direct radiative forcing in Lecce during the 2013 ADRIMED campaign

NASA Astrophysics Data System (ADS)

Barragan, Ruben; Romano, Salvatore; Sicard, Michaël.; Burlizzi, Pasquale; Perrone, Maria-Rita; Comeron, Adolfo

2015-10-01

In the framework of the ChArMEx (Chemistry-Aerosol Mediterranean Experiment, http://charmex.lsce.ipsl.fr/) initiative, a field campaign took place in the western Mediterranean Basin between 10 June and 5 July 2013 within the ADRIMED (Aerosol Direct Radiative Impact on the regional climate in the MEDiterranean region) project. The scientific objectives of ADRIMED are the characterization of the typical "Mediterranean aerosol" and its direct radiative forcing (column closure and regional scale). This work is focused on the multi-intrusion Saharan dust transport period of moderate intensity that occurred over the western and central Mediterranean Basin during the period 14 - 27 June. The dust plumes were detected by the EARLINET/ACTRIS (European Aerosol Research Lidar Network / Aerosols, Clouds, and Trace gases Research InfraStructure Network, http://www.actris.net/) lidar stations of Barcelona (16 and 17 June) and Lecce (22 June). First, two well-known and robust radiative transfer models, parametrized by lidar profiles for the aerosol vertical distribution, are validated both in the shortwave and longwave spectral range 1) at the surface with down- and up-ward flux measurements from radiometers and 2) at the top of the atmosphere with upward flux measurements from the CERES (Clouds and the Earth's Radiant Energy System) radiometers on board the AQUA and TERRA satellites. The differences between models and their limitations are discussed. The instantaneous and clear-sky direct radiative forcing of mineral dust is then estimated using lidar data for parametrizing the particle vertical distribution at Lecce. The difference between the obtained forcings is discussed in regard to the mineralogy and vertical structure of the dust plume.

Antarctic boundary layer parametrization in a general circulation model: 1-D simulations facing summer observations at Dome C

NASA Astrophysics Data System (ADS)

Vignon, Etienne; Hourdin, Frédéric; Genthon, Christophe; Gallée, Hubert; Bazile, Eric; Lefebvre, Marie-Pierre; Madeleine, Jean-Baptiste; Van de Wiel, Bas J. H.

2017-07-01

The parametrization of the atmospheric boundary layer (ABL) is critical over the Antarctic Plateau for climate modelling since it affects the climatological temperature inversion and the negatively buoyant near-surface flow over the ice-sheet. This study challenges state-of-the-art parametrizations used in general circulation models to represent the clear-sky summertime diurnal cycle of the ABL at Dome C, Antarctic Plateau. The Laboratoire de Météorologie Dynamique-Zoom model is run in a 1-D configuration on the fourth Global Energy and Water Cycle Exchanges Project Atmospheric Boundary Layers Study case. Simulations are analyzed and compared to observations, giving insights into the sensitivity of one model that participates to the intercomparison exercise. Snow albedo and thermal inertia are calibrated leading to better surface temperatures. Using the so-called "thermal plume model" improves the momentum mixing in the diurnal ABL. In stable conditions, four turbulence schemes are tested. Best simulations are those in which the turbulence cuts off above 35 m in the middle of the night, highlighting the contribution of the longwave radiation in the ABL heat budget. However, the nocturnal surface layer is not stable enough to distinguish between surface fluxes computed with different stability functions. The absence of subsidence in the forcings and an underestimation of downward longwave radiation are identified to be likely responsible for a cold bias in the nocturnal ABL. Apart from model-specific improvements, the paper clarifies on which are the critical aspects to improve in general circulation models to correctly represent the summertime ABL over the Antarctic Plateau.

Protein-Backbone Thermodynamics across the Membrane Interface.

PubMed

Bereau, Tristan; Kremer, Kurt

2016-07-07

The thermodynamics of insertion of a protein in a membrane depends on the fine interplay between backbone and side-chain contributions interacting with the lipid environment. Using computer simulations, we probe how different descriptions of the backbone glycyl unit affect the thermodynamics of insertion of individual residues, dipeptides, and entire transmembrane helices. Due to the lack of reference data, we first introduce an efficient methodology to estimate atomistic potential of mean force (PMF) curves from a series of representative and uncorrelated coarse-grained (CG) snapshots. We find strong discrepancies between two CG models, Martini and PLUM, against reference atomistic PMFs and experiments. Atomistic simulations suggest a weak free energy of insertion between water and a POPC membrane for the glycyl unit, in overall agreement with experimental results despite severe assumptions in our calculations. We show that refining the backbone contribution in PLUM significantly improves the PMF of insertion of the WALP16 transmembrane peptide. An improper balance between the glycyl backbone and the attached side chain will lead to energetic artifacts, rationalizing Martini's overstabilization of WALP's adsorbed interfacial state. It illustrates difficulties associated with free-energy-based parametrizations of single-residue models, as the relevant free energy of partitioning used for force-field parametrization does not arise from the entire residue but rather the solvent-accessible chemical groups.

Interference of Locally Forced Internal Waves in Non-Uniform Stratifications

NASA Astrophysics Data System (ADS)

Supekar, Rohit; Peacock, Thomas

2017-11-01

Several studies have investigated the effect of constructive or destructive interference on the transmission of internal waves propagating through non-uniform stratifications. Such studies have been performed for internal waves that are spatiotemporally harmonic. To understand the effect of localization, we perform a theoretical and experimental study of the transmission of two-dimensional internal waves that are generated by a spatiotemporally localized boundary forcing. This is done by considering an idealized problem and applying a weakly viscous semi-analytic linear model. Parametric studies using this model show that localization leads to the disappearance of transmission peaks and troughs that would otherwise be present for a harmonic forcing. Laboratory experiments that we perform provide a clear indication of this physical effect. Based on the group velocity and angle of propagation of the internal waves, a practical criteria that assesses when the transmission peaks or troughs are evident, is obtained. It is found that there is a significant difference in the predicted energy transfer due to a harmonic and non-harmonic forcing which has direct implications to various physical forcings such as a storm over the ocean.

The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models

PubMed Central

Noid, W. G.; Liu, Pu; Wang, Yanting; Chu, Jhih-Wei; Ayton, Gary S.; Izvekov, Sergei; Andersen, Hans C.; Voth, Gregory A.

2008-01-01

The multiscale coarse-graining (MS-CG) method [S. Izvekov and G. A. Voth, J. Phys. Chem. B 109, 2469 (2005);J. Chem. Phys. 123, 134105 (2005)] employs a variational principle to determine an interaction potential for a CG model from simulations of an atomically detailed model of the same system. The companion paper proved that, if no restrictions regarding the form of the CG interaction potential are introduced and if the equilibrium distribution of the atomistic model has been adequately sampled, then the MS-CG variational principle determines the exact many-body potential of mean force (PMF) governing the equilibrium distribution of CG sites generated by the atomistic model. In practice, though, CG force fields are not completely flexible, but only include particular types of interactions between CG sites, e.g., nonbonded forces between pairs of sites. If the CG force field depends linearly on the force field parameters, then the vector valued functions that relate the CG forces to these parameters determine a set of basis vectors that span a vector subspace of CG force fields. The companion paper introduced a distance metric for the vector space of CG force fields and proved that the MS-CG variational principle determines the CG force force field that is within that vector subspace and that is closest to the force field determined by the many-body PMF. The present paper applies the MS-CG variational principle for parametrizing molecular CG force fields and derives a linear least squares problem for the parameter set determining the optimal approximation to this many-body PMF. Linear systems of equations for these CG force field parameters are derived and analyzed in terms of equilibrium structural correlation functions. Numerical calculations for a one-site CG model of methanol and a molecular CG model of the EMIM+∕NO3− ionic liquid are provided to illustrate the method. PMID:18601325

One-dimensional statistical parametric mapping in Python.

PubMed

Pataky, Todd C

2012-01-01

Statistical parametric mapping (SPM) is a topological methodology for detecting field changes in smooth n-dimensional continua. Many classes of biomechanical data are smooth and contained within discrete bounds and as such are well suited to SPM analyses. The current paper accompanies release of 'SPM1D', a free and open-source Python package for conducting SPM analyses on a set of registered 1D curves. Three example applications are presented: (i) kinematics, (ii) ground reaction forces and (iii) contact pressure distribution in probabilistic finite element modelling. In addition to offering a high-level interface to a variety of common statistical tests like t tests, regression and ANOVA, SPM1D also emphasises fundamental concepts of SPM theory through stand-alone example scripts. Source code and documentation are available at: www.tpataky.net/spm1d/.

Effects of structural flexibility of wings in flapping flight of butterfly.

PubMed

Senda, Kei; Obara, Takuya; Kitamura, Masahiko; Yokoyama, Naoto; Hirai, Norio; Iima, Makoto

2012-06-01

The objective of this paper is to clarify the effects of structural flexibility of wings of a butterfly in flapping flight. For this purpose, a dynamics model of a butterfly is derived by Lagrange's method, where the butterfly is considered as a rigid multi-body system. The panel method is employed to simulate the flow field and the aerodynamic forces acting on the wings. The mathematical model is validated by the agreement of the numerical result with the experimentally measured data. Then, periodic orbits of flapping-of-wings flights are parametrically searched in order to fly the butterfly models. Almost periodic orbits are found, but they are unstable. Deformation of the wings is modeled in two ways. One is bending and its effect on the aerodynamic forces is discussed. The other is passive wing torsion caused by structural flexibility. Numerical simulations demonstrate that flexible torsion reduces the flight instability.

Breathing spiral waves in the chlorine dioxide-iodine-malonic acid reaction-diffusion system.

PubMed

Berenstein, Igal; Muñuzuri, Alberto P; Yang, Lingfa; Dolnik, Milos; Zhabotinsky, Anatol M; Epstein, Irving R

2008-08-01

Breathing spiral waves are observed in the oscillatory chlorine dioxide-iodine-malonic acid reaction-diffusion system. The breathing develops within established patterns of multiple spiral waves after the concentration of polyvinyl alcohol in the feeding chamber of a continuously fed, unstirred reactor is increased. The breathing period is determined by the period of bulk oscillations in the feeding chamber. Similar behavior is obtained in the Lengyel-Epstein model of this system, where small amplitude parametric forcing of spiral waves near the spiral wave frequency leads to the formation of breathing spiral waves in which the period of breathing is equal to the period of forcing.

Lox droplet vaporization in a supercritical forced convective environment

NASA Technical Reports Server (NTRS)

Hsiao, Chia-Chun; Yang, Vigor

1994-01-01

A systematic investigation has been conducted to study the effects of ambient flow conditions (i.e. pressure and velocity) on supercritical droplet gasification in a forced-convective environment. The model is based on the time-dependent conservation equations in axisymmetric coordinates, and accommodates thermodynamic nonidealities and transport anomalies. In addition, an efficient scheme for evaluating thermophysical properties over the entire range of fluid thermodynamic states is established. The analysis allows a thorough examination of droplet behavior during its entire lifetime, including transient gasification, dynamic deformation, and shattering. A parametric study of droplet vaporization rate in terms of ambient pressure and Reynolds number is also conducted.

Numerical analysis of the dynamic interaction between wheel set and turnout crossing using the explicit finite element method

NASA Astrophysics Data System (ADS)

Xin, L.; Markine, V. L.; Shevtsov, I. Y.

2016-03-01

A three-dimensional (3-D) explicit dynamic finite element (FE) model is developed to simulate the impact of the wheel on the crossing nose. The model consists of a wheel set moving over the turnout crossing. Realistic wheel, wing rail and crossing geometries have been used in the model. Using this model the dynamic responses of the system such as the contact forces between the wheel and the crossing, crossing nose displacements and accelerations, stresses in rail material as well as in sleepers and ballast can be obtained. Detailed analysis of the wheel set and crossing interaction using the local contact stress state in the rail is possible as well, which provides a good basis for prediction of the long-term behaviour of the crossing (fatigue analysis). In order to tune and validate the FE model field measurements conducted on several turnouts in the railway network in the Netherlands are used here. The parametric study including variations of the crossing nose geometries performed here demonstrates the capabilities of the developed model. The results of the validation and parametric study are presented and discussed.

Nonlinear finite-element analysis of nanoindentation of viral capsids

NASA Astrophysics Data System (ADS)

Gibbons, Melissa M.; Klug, William S.

2007-03-01

Recent atomic force microscope (AFM) nanoindentation experiments measuring mechanical response of the protein shells of viruses have provided a quantitative description of their strength and elasticity. To better understand and interpret these measurements, and to elucidate the underlying mechanisms, this paper adopts a course-grained modeling approach within the framework of three-dimensional nonlinear continuum elasticity. Homogeneous, isotropic, elastic, thick-shell models are proposed for two capsids: the spherical cowpea chlorotic mottle virus (CCMV), and the ellipsocylindrical bacteriophage ϕ29 . As analyzed by the finite-element method, these models enable parametric characterization of the effects of AFM tip geometry, capsid dimensions, and capsid constitutive descriptions. The generally nonlinear force response of capsids to indentation is shown to be insensitive to constitutive particulars, and greatly influenced by geometric and kinematic details. Nonlinear stiffening and softening of the force response is dependent on the AFM tip dimensions and shell thickness. Fits of the models capture the roughly linear behavior observed in experimental measurements and result in estimates of Young’s moduli of ≈280-360MPa for CCMV and ≈4.5GPa for ϕ29 .

Current Status of Protein Force Fields for Molecular Dynamics

PubMed Central

Lopes, Pedro E.M.; Guvench, Olgun

2015-01-01

Summary The current status of classical force fields for proteins is reviewed. These include additive force fields as well as the latest developments in the Drude and AMOEBA polarizable force fields. Parametrization strategies developed specifically for the Drude force field are described and compared with the additive CHARMM36 force field. Results from molecular simulations of proteins and small peptides are summarized to illustrate the performance of the Drude and AMOEBA force fields. PMID:25330958

First principles molecular dynamics of molten NaCl

NASA Astrophysics Data System (ADS)

Galamba, N.; Costa Cabral, B. J.

2007-03-01

First principles Hellmann-Feynman molecular dynamics (HFMD) results for molten NaCl at a single state point are reported. The effect of induction forces on the structure and dynamics of the system is studied by comparison of the partial radial distribution functions and the velocity and force autocorrelation functions with those calculated from classical MD based on rigid-ion and shell-model potentials. The first principles results reproduce the main structural features of the molten salt observed experimentally, whereas they are incorrectly described by both rigid-ion and shell-model potentials. Moreover, HFMD Green-Kubo self-diffusion coefficients are in closer agreement with experimental data than those predicted by classical MD. A comprehensive discussion of MD results for molten NaCl based on different ab initio parametrized polarizable interionic potentials is also given.

Balancing the Interactions of Ions, Water, and DNA in the Drude Polarizable Force Field

PubMed Central

2015-01-01

Recently we presented a first-generation all-atom Drude polarizable force field for DNA based on the classical Drude oscillator model, focusing on optimization of key dihedral angles followed by extensive validation of the force field parameters. Presently, we describe the procedure for balancing the electrostatic interactions between ions, water, and DNA as required for development of the Drude force field for DNA. The proper balance of these interactions is shown to impact DNA stability and subtler conformational properties, including the conformational equilibrium between the BI and BII states, and the A and B forms of DNA. The parametrization efforts were simultaneously guided by gas-phase quantum mechanics (QM) data on small model compounds and condensed-phase experimental data on the hydration and osmotic properties of biologically relevant ions and their solutions, as well as theoretical predictions for ionic distribution around DNA oligomer. In addition, fine-tuning of the internal base parameters was performed to obtain the final DNA model. Notably, the Drude model is shown to more accurately reproduce counterion condensation theory predictions of DNA charge neutralization by the condensed ions as compared to the CHARMM36 additive DNA force field, indicating an improved physical description of the forces dictating the ionic solvation of DNA due to the explicit treatment of electronic polarizability. In combination with the polarizable DNA force field, the availability of Drude polarizable parameters for proteins, lipids, and carbohydrates will allow for simulation studies of heterogeneous biological systems. PMID:24874104

Sensitivity of atmospheric muon flux calculation to low energy hadronic interaction models

NASA Astrophysics Data System (ADS)

Djemil, T.; Attallah, R.; Capdevielle, J. N.

2007-10-01

We investigate in this paper the impact of some up-to-date hadronic interaction models on the calculation of the atmospheric muon flux. Calculations are carried out with the air shower simulation code CORSIKA in combination with the hadronic interaction models FLUKA and UrQMD below 80 GeV/nucleon and NEXUS elsewhere. We also examine the atmospheric effects using two different parametrizations of the US standard atmosphere. The cosmic ray spectra of protons and α particles, the only primary particles considered here, are taken according to the force field model which describes properly solar modulation. Numerical results are compared with the BESS-2001 experimental data.

Parametric model of servo-hydraulic actuator coupled with a nonlinear system: Experimental validation

NASA Astrophysics Data System (ADS)

Maghareh, Amin; Silva, Christian E.; Dyke, Shirley J.

2018-05-01

Hydraulic actuators play a key role in experimental structural dynamics. In a previous study, a physics-based model for a servo-hydraulic actuator coupled with a nonlinear physical system was developed. Later, this dynamical model was transformed into controllable canonical form for position tracking control purposes. For this study, a nonlinear device is designed and fabricated to exhibit various nonlinear force-displacement profiles depending on the initial condition and the type of materials used as replaceable coupons. Using this nonlinear system, the controllable canonical dynamical model is experimentally validated for a servo-hydraulic actuator coupled with a nonlinear physical system.

Improved Force Fields for Peptide Nucleic Acids with Optimized Backbone Torsion Parameters.

PubMed

Jasiński, Maciej; Feig, Michael; Trylska, Joanna

2018-06-06

Peptide nucleic acids are promising nucleic acid analogs for antisense therapies as they can form stable duplex and triplex structures with DNA and RNA. Computational studies of PNA-containing duplexes and triplexes are an important component for guiding their design, yet existing force fields have not been well validated and parametrized with modern computational capabilities. We present updated CHARMM and Amber force fields for PNA that greatly improve the stability of simulated PNA-containing duplexes and triplexes in comparison with experimental structures and allow such systems to be studied on microsecond time scales. The force field modifications focus on reparametrized PNA backbone torsion angles to match high-level quantum mechanics reference energies for a model compound. The microsecond simulations of PNA-PNA, PNA-DNA, PNA-RNA, and PNA-DNA-PNA complexes also allowed a comprehensive analysis of hydration and ion interactions with such systems.

Subgrid-scale models for large-eddy simulation of rotating turbulent channel flows

NASA Astrophysics Data System (ADS)

Silvis, Maurits H.; Bae, Hyunji Jane; Trias, F. Xavier; Abkar, Mahdi; Moin, Parviz; Verstappen, Roel

2017-11-01

We aim to design subgrid-scale models for large-eddy simulation of rotating turbulent flows. Rotating turbulent flows form a challenging test case for large-eddy simulation due to the presence of the Coriolis force. The Coriolis force conserves the total kinetic energy while transporting it from small to large scales of motion, leading to the formation of large-scale anisotropic flow structures. The Coriolis force may also cause partial flow laminarization and the occurrence of turbulent bursts. Many subgrid-scale models for large-eddy simulation are, however, primarily designed to parametrize the dissipative nature of turbulent flows, ignoring the specific characteristics of transport processes. We, therefore, propose a new subgrid-scale model that, in addition to the usual dissipative eddy viscosity term, contains a nondissipative nonlinear model term designed to capture transport processes, such as those due to rotation. We show that the addition of this nonlinear model term leads to improved predictions of the energy spectra of rotating homogeneous isotropic turbulence as well as of the Reynolds stress anisotropy in spanwise-rotating plane-channel flows. This work is financed by the Netherlands Organisation for Scientific Research (NWO) under Project Number 613.001.212.

Parametric modeling of the intervertebral disc space in 3D: application to CT images of the lumbar spine.

PubMed

Korez, Robert; Likar, Boštjan; Pernuš, Franjo; Vrtovec, Tomaž

2014-10-01

Gradual degeneration of intervertebral discs of the lumbar spine is one of the most common causes of low back pain. Although conservative treatment for low back pain may provide relief to most individuals, surgical intervention may be required for individuals with significant continuing symptoms, which is usually performed by replacing the degenerated intervertebral disc with an artificial implant. For designing implants with good bone contact and continuous force distribution, the morphology of the intervertebral disc space and vertebral body endplates is of considerable importance. In this study, we propose a method for parametric modeling of the intervertebral disc space in three dimensions (3D) and show its application to computed tomography (CT) images of the lumbar spine. The initial 3D model of the intervertebral disc space is generated according to the superquadric approach and therefore represented by a truncated elliptical cone, which is initialized by parameters obtained from 3D models of adjacent vertebral bodies. In an optimization procedure, the 3D model of the intervertebral disc space is incrementally deformed by adding parameters that provide a more detailed morphometric description of the observed shape, and aligned to the observed intervertebral disc space in the 3D image. By applying the proposed method to CT images of 20 lumbar spines, the shape and pose of each of the 100 intervertebral disc spaces were represented by a 3D parametric model. The resulting mean (±standard deviation) accuracy of modeling was 1.06±0.98mm in terms of radial Euclidean distance against manually defined ground truth points, with the corresponding success rate of 93% (i.e. 93 out of 100 intervertebral disc spaces were modeled successfully). As the resulting 3D models provide a description of the shape of intervertebral disc spaces in a complete parametric form, morphometric analysis was straightforwardly enabled and allowed the computation of the corresponding heights, widths and volumes, as well as of other geometric features that in detail describe the shape of intervertebral disc spaces. Copyright © 2014 Elsevier Ltd. All rights reserved.

Space shuttle: Stability and control effectiveness of the MDAC parametric delta canard booster at Mach 0.38. Volume 1: Canard parametric variations

NASA Technical Reports Server (NTRS)

Bradley, D.; Buchholz, R. E.

1971-01-01

A 0.015 scale model of a modified version of the MDAC space shuttle booster was tested in the Naval Ship Research and Development Center 7 x 10 foot transonic wind tunnel, to obtain force, static stability, and control effectiveness data. Data were obtained for a cruise Mach Number of 0.38, altitude of 10,000 ft, and Reynolds Number per foot of approximately 2 x one million. The model was tested through an angle of attack range of -4 deg to 15 deg at zero degree angle of sideslip, and at an angle of sideslip range of -6 deg to 6 deg at fixed angles of attack of 0 deg, 6 deg, and 15 deg. Other test variables were elevon deflections, canard deflections, aileron deflections, rudder deflections, wing dihedral angle, canard incidence angle, wing incidence angle, canard position, wing position, wing and canard control flap size and dorsal fin size.

Parametric studies and orbital analysis for an electric orbit transfer vehicle space flight demonstration

NASA Astrophysics Data System (ADS)

Avila, Edward R.

The Electric Insertion Transfer Experiment (ELITE) is an Air Force Advanced Technology Transition Demonstration which is being executed as a cooperative Research and Development Agreement between the Phillips Lab and TRW. The objective is to build, test, and fly a solar-electric orbit transfer and orbit maneuvering vehicle, as a precursor to an operational electric orbit transfer vehicle (EOTV). This paper surveys some of the analysis tools used to do parametric studies and discusses the study results. The primary analysis tool was the Electric Vehicle Analyzer (EVA) developed by the Phillips Lab and modified by The Aerospace Corporation. It uses a simple orbit averaging approach to model low-thrust transfer performance, and runs in a PC environment. The assumptions used in deriving the EVA math model are presented. This tool and others surveyed were used to size the solar array power required for the spacecraft, and develop a baseline mission profile that meets the requirements of the ELITE mission.

CHARMM additive and polarizable force fields for biophysics and computer-aided drug design

PubMed Central

Vanommeslaeghe, K.

2014-01-01

Background Molecular Mechanics (MM) is the method of choice for computational studies of biomolecular systems owing to its modest computational cost, which makes it possible to routinely perform molecular dynamics (MD) simulations on chemical systems of biophysical and biomedical relevance. Scope of Review As one of the main factors limiting the accuracy of MD results is the empirical force field used, the present paper offers a review of recent developments in the CHARMM additive force field, one of the most popular bimolecular force fields. Additionally, we present a detailed discussion of the CHARMM Drude polarizable force field, anticipating a growth in the importance and utilization of polarizable force fields in the near future. Throughout the discussion emphasis is placed on the force fields’ parametrization philosophy and methodology. Major Conclusions Recent improvements in the CHARMM additive force field are mostly related to newly found weaknesses in the previous generation of additive force fields. Beyond the additive approximation is the newly available CHARMM Drude polarizable force field, which allows for MD simulations of up to 1 microsecond on proteins, DNA, lipids and carbohydrates. General Significance Addressing the limitations ensures the reliability of the new CHARMM36 additive force field for the types of calculations that are presently coming into routine computational reach while the availability of the Drude polarizable force fields offers a model that is an inherently more accurate model of the underlying physical forces driving macromolecular structures and dynamics. PMID:25149274

Hyperbolic and semi-parametric models in finance

NASA Astrophysics Data System (ADS)

Bingham, N. H.; Kiesel, Rüdiger

2001-02-01

The benchmark Black-Scholes-Merton model of mathematical finance is parametric, based on the normal/Gaussian distribution. Its principal parametric competitor, the hyperbolic model of Barndorff-Nielsen, Eberlein and others, is briefly discussed. Our main theme is the use of semi-parametric models, incorporating the mean vector and covariance matrix as in the Markowitz approach, plus a non-parametric part, a scalar function incorporating features such as tail-decay. Implementation is also briefly discussed.

Towards a footwear design tool: influence of shoe midsole properties and ground stiffness on the impact force during running.

PubMed

Ly, Quoc Hung; Alaoui, Amina; Erlicher, Silvano; Baly, Laurent

2010-01-19

Several spring-damper-mass models of the human body have been developed in order to reproduce the measured ground vertical reaction forces during human running (McMahon and Cheng, 1990; Ferris et al., 1999; Liu and Nigg, 2000). In particular, Liu and Nigg introduced at the lower level of their model, i.e. at the interface between the human body and the ground, a nonlinear element representing simultaneously the shoe midsoles and the ground flexibility. The ground reaction force is modelled as the force supported by this nonlinear element, whose parameters are identified from several sets of experimental data. This approach proved to be robust and quite accurate. However, it does not explicitly take into account the shoe and the ground properties. It turns out to be impossible to study the influence of shoe materials on the impact force, for instance for footwear design purposes. In this paper, a modification of the Liu and Nigg's model is suggested, where the original nonlinear element is replaced with a bi-layered spring-damper-mass model: the first layer represents the shoe midsole and the second layer is associated with the ground. Ground is modelled as an infinite elastic half-space. We have assumed a viscoelastic behaviour of the shoe material, so the damping of shoe material is taken into account. A methodology for the shoe-soles characterization is proposed and used together with the proposed model. A parametric study is then conducted and the influence of the shoe properties on the impact force is quantified. Moreover, it is shown that impact forces are strongly affected by the ground stiffness, which should therefore be considered as an essential parameter in the footwear design. Copyright 2009 Elsevier Ltd. All rights reserved.

Analysis of stochastic model for non-linear volcanic dynamics

NASA Astrophysics Data System (ADS)

Alexandrov, D.; Bashkirtseva, I.; Ryashko, L.

2014-12-01

Motivated by important geophysical applications we consider a dynamic model of the magma-plug system previously derived by Iverson et al. (2006) under the influence of stochastic forcing. Due to strong nonlinearity of the friction force for solid plug along its margins, the initial deterministic system exhibits impulsive oscillations. Two types of dynamic behavior of the system under the influence of the parametric stochastic forcing have been found: random trajectories are scattered on both sides of the deterministic cycle or grouped on its internal side only. It is shown that dispersions are highly inhomogeneous along cycles in the presence of noises. The effects of noise-induced shifts, pressure stabilization and localization of random trajectories have been revealed with increasing the noise intensity. The plug velocity, pressure and displacement are highly dependent of noise intensity as well. These new stochastic phenomena are related with the nonlinear peculiarities of the deterministic phase portrait. It is demonstrated that the repetitive stick-slip motions of the magma-plug system in the case of stochastic forcing can be connected with drumbeat earthquakes.

Mechanical sea-ice strength parameterized as a function of ice temperature

NASA Astrophysics Data System (ADS)

Hata, Yukie; Tremblay, Bruno

2016-04-01

Mechanical sea-ice strength is key for a better simulation of the timing of landlock ice onset and break-up in the Canadian Arctic Archipelago (CAA). We estimate the mechanical strength of sea ice in the CAA by analyzing the position record measured by the several buoys deployed in the CAA between 2008 and 2013, and wind data from the Canadian Meteorological Centre's Global Deterministic Prediction System (CMC_GDPS) REforecasts (CGRF). First, we calculate the total force acting on the ice using the wind data. Next, we estimate upper (lower) bounds on the sea-ice strength by identifying cases when the sea ice deforms (does not deform) under the action of a given total force. Results from this analysis show that the ice strength of landlock sea ice in the CAA is approximately 40 kN/m on the landfast ice onset (in ice growth season). Additionally, it becomes approximately 10 kN/m on the landfast ice break-up (in melting season). The ice strength decreases with ice temperature increase, which is in accord with results from Johnston [2006]. We also include this new parametrization of sea-ice strength as a function of ice temperature in a coupled slab ocean sea ice model. The results from the model with and without the new parametrization are compared with the buoy data from the International Arctic Buoy Program (IABP).

Blade Tip Rubbing Stress Prediction

NASA Technical Reports Server (NTRS)

Davis, Gary A.; Clough, Ray C.

1991-01-01

An analytical model was constructed to predict the magnitude of stresses produced by rubbing a turbine blade against its tip seal. This model used a linearized approach to the problem, after a parametric study, found that the nonlinear effects were of insignificant magnitude. The important input parameters to the model were: the arc through which rubbing occurs, the turbine rotor speed, normal force exerted on the blade, and the rubbing coefficient of friction. Since it is not possible to exactly specify some of these parameters, values were entered into the model which bracket likely values. The form of the forcing function was another variable which was impossible to specify precisely, but the assumption of a half-sine wave with a period equal to the duration of the rub was taken as a realistic assumption. The analytical model predicted resonances between harmonics of the forcing function decomposition and known harmonics of the blade. Thus, it seemed probable that blade tip rubbing could be at least a contributor to the blade-cracking phenomenon. A full-scale, full-speed test conducted on the space shuttle main engine high pressure fuel turbopump Whirligig tester was conducted at speeds between 33,000 and 28,000 RPM to confirm analytical predictions.

Host Model Uncertainty in Aerosol Radiative Forcing Estimates - The AeroCom Prescribed Experiment

NASA Astrophysics Data System (ADS)

Stier, P.; Kinne, S.; Bellouin, N.; Myhre, G.; Takemura, T.; Yu, H.; Randles, C.; Chung, C. E.

2012-04-01

Anthropogenic and natural aerosol radiative effects are recognized to affect global and regional climate. However, even for the case of identical aerosol emissions, the simulated direct aerosol radiative forcings show significant diversity among the AeroCom models (Schulz et al., 2006). Our analysis of aerosol absorption in the AeroCom models indicates a larger diversity in the translation from given aerosol radiative properties (absorption optical depth) to actual atmospheric absorption than in the translation of a given atmospheric burden of black carbon to the radiative properties (absorption optical depth). The large diversity is caused by differences in the simulated cloud fields, radiative transfer, the relative vertical distribution of aerosols and clouds, and the effective surface albedo. This indicates that differences in host model (GCM or CTM hosting the aerosol module) parameterizations contribute significantly to the simulated diversity of aerosol radiative forcing. The magnitude of these host model effects in global aerosol model and satellites retrieved aerosol radiative forcing estimates cannot be estimated from the diagnostics of the "standard" AeroCom forcing experiments. To quantify the contribution of differences in the host models to the simulated aerosol radiative forcing and absorption we conduct the AeroCom Prescribed experiment, a simple aerosol model and satellite retrieval intercomparison with prescribed highly idealised aerosol fields. Quality checks, such as diagnostic output of the 3D aerosol fields as implemented in each model, ensure the comparability of the aerosol implementation in the participating models. The simulated forcing variability among the models and retrievals is a direct measure of the contribution of host model assumptions to the uncertainty in the assessment of the aerosol radiative effects. We will present the results from the AeroCom prescribed experiment with focus on the attribution to the simulated variability to parametric and structural model uncertainties. This work will help to prioritise areas for future model improvements and ultimately lead to uncertainty reduction.

Efficient nonparametric n -body force fields from machine learning

NASA Astrophysics Data System (ADS)

Glielmo, Aldo; Zeni, Claudio; De Vita, Alessandro

2018-05-01

We provide a definition and explicit expressions for n -body Gaussian process (GP) kernels, which can learn any interatomic interaction occurring in a physical system, up to n -body contributions, for any value of n . The series is complete, as it can be shown that the "universal approximator" squared exponential kernel can be written as a sum of n -body kernels. These recipes enable the choice of optimally efficient force models for each target system, as confirmed by extensive testing on various materials. We furthermore describe how the n -body kernels can be "mapped" on equivalent representations that provide database-size-independent predictions and are thus crucially more efficient. We explicitly carry out this mapping procedure for the first nontrivial (three-body) kernel of the series, and we show that this reproduces the GP-predicted forces with meV /Å accuracy while being orders of magnitude faster. These results pave the way to using novel force models (here named "M-FFs") that are computationally as fast as their corresponding standard parametrized n -body force fields, while retaining the nonparametric character, the ease of training and validation, and the accuracy of the best recently proposed machine-learning potentials.

Numerical simulation of wave-current interaction under strong wind conditions

NASA Astrophysics Data System (ADS)

Larrañaga, Marco; Osuna, Pedro; Ocampo-Torres, Francisco Javier

2017-04-01

Although ocean surface waves are known to play an important role in the momentum and other scalar transfer between the atmosphere and the ocean, most operational numerical models do not explicitly include the terms of wave-current interaction. In this work, a numerical analysis about the relative importance of the processes associated with the wave-current interaction under strong off-shore wind conditions in Gulf of Tehuantepec (the southern Mexican Pacific) was carried out. The numerical system includes the spectral wave model WAM and the 3D hydrodynamic model POLCOMS, with the vertical turbulent mixing parametrized by the kappa-epsilon closure model. The coupling methodology is based on the vortex-force formalism. The hydrodynamic model was forced at the open boundaries using the HYCOM database and the wave model was forced at the open boundaries by remote waves from the southern Pacific. The atmospheric forcing for both models was provided by a local implementation of the WRF model, forced at the open boundaries using the CFSR database. The preliminary analysis of the model results indicates an effect of currents on the propagation of the swell throughout the study area. The Stokes-Coriolis term have an impact on the transient Ekman transport by modifying the Ekman spiral, while the Stokes drift has an effect on the momentum advection and the production of TKE, where the later induces a deepening of the mixing layer. This study is carried out in the framework of the project CONACYT CB-2015-01 255377 and RugDiSMar Project (CONACYT 155793).

A finite element model of remote palpation of breast lesions using radiation force: factors affecting tissue displacement.

PubMed

Nightingale, K R; Nightingale, R W; Palmeri, M L; Trahey, G E

2000-01-01

The early detection of breast cancer reduces patient mortality. The most common method of breast cancer detection is palpation. However, lesions that lie deep within the breast are difficult to palpate when they are small. Thus, a method of remote palpation, which may allow the detection of small lesions lying deep within the breast, is currently under investigation. In this method, acoustic radiation force is used to apply localized forces within tissue (to tissue volumes on the order of 2 mm3) and the resulting tissue displacements are mapped using ultrasonic correlation based methods. A volume of tissue that is stiffer than the surrounding medium (i.e., a lesion) distributes the force throughout the tissue beneath it, resulting in larger regions of displacement, and smaller maximum displacements. The resulting displacement maps may be used to image tissue stiffness. A finite-element-model (FEM) of acoustic remote palpation is presented in this paper. Using this model, a parametric analysis of the affect of varying tissue and acoustic beam characteristics on radiation force induced tissue displacements is performed. The results are used to evaluate the potential of acoustic remote palpation to provide useful diagnostic information in a clinical setting. The potential for using a single diagnostic transducer to both generate radiation force and track the resulting displacements is investigated.

Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning.

PubMed

Cole, Daniel J; Vilseck, Jonah Z; Tirado-Rives, Julian; Payne, Mike C; Jorgensen, William L

2016-05-10

Molecular mechanics force fields, which are commonly used in biomolecular modeling and computer-aided drug design, typically treat nonbonded interactions using a limited library of empirical parameters that are developed for small molecules. This approach does not account for polarization in larger molecules or proteins, and the parametrization process is labor-intensive. Using linear-scaling density functional theory and atoms-in-molecule electron density partitioning, environment-specific charges and Lennard-Jones parameters are derived directly from quantum mechanical calculations for use in biomolecular modeling of organic and biomolecular systems. The proposed methods significantly reduce the number of empirical parameters needed to construct molecular mechanics force fields, naturally include polarization effects in charge and Lennard-Jones parameters, and scale well to systems comprised of thousands of atoms, including proteins. The feasibility and benefits of this approach are demonstrated by computing free energies of hydration, properties of pure liquids, and the relative binding free energies of indole and benzofuran to the L99A mutant of T4 lysozyme.

Thermal Ablation Modeling for Silicate Materials

NASA Technical Reports Server (NTRS)

Chen, Yih-Kanq

2016-01-01

A general thermal ablation model for silicates is proposed. The model includes the mass losses through the balance between evaporation and condensation, and through the moving molten layer driven by surface shear force and pressure gradient. This model can be applied in the ablation simulation of the meteoroid and the glassy ablator for spacecraft Thermal Protection Systems. Time-dependent axisymmetric computations are performed by coupling the fluid dynamics code, Data-Parallel Line Relaxation program, with the material response code, Two-dimensional Implicit Thermal Ablation simulation program, to predict the mass lost rates and shape change. The predicted mass loss rates will be compared with available data for model validation, and parametric studies will also be performed for meteoroid earth entry conditions.

A calibrated Monte Carlo approach to quantify the impacts of misorientation and different driving forces on texture development

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

Liangzhe Zhang; Anthony D. Rollett; Timothy Bartel

2012-02-01

A calibrated Monte Carlo (cMC) approach, which quantifies grain boundary kinetics within a generic setting, is presented. The influence of misorientation is captured by adding a scaling coefficient in the spin flipping probability equation, while the contribution of different driving forces is weighted using a partition function. The calibration process relies on the established parametric links between Monte Carlo (MC) and sharp-interface models. The cMC algorithm quantifies microstructural evolution under complex thermomechanical environments and remedies some of the difficulties associated with conventional MC models. After validation, the cMC approach is applied to quantify the texture development of polycrystalline materials withmore » influences of misorientation and inhomogeneous bulk energy across grain boundaries. The results are in good agreement with theory and experiments.« less

Physics-based simulations of aerial attacks by peregrine falcons reveal that stooping at high speed maximizes catch success against agile prey.

PubMed

Mills, Robin; Hildenbrandt, Hanno; Taylor, Graham K; Hemelrijk, Charlotte K

2018-04-01

The peregrine falcon Falco peregrinus is renowned for attacking its prey from high altitude in a fast controlled dive called a stoop. Many other raptors employ a similar mode of attack, but the functional benefits of stooping remain obscure. Here we investigate whether, when, and why stooping promotes catch success, using a three-dimensional, agent-based modeling approach to simulate attacks of falcons on aerial prey. We simulate avian flapping and gliding flight using an analytical quasi-steady model of the aerodynamic forces and moments, parametrized by empirical measurements of flight morphology. The model-birds' flight control inputs are commanded by their guidance system, comprising a phenomenological model of its vision, guidance, and control. To intercept its prey, model-falcons use the same guidance law as missiles (pure proportional navigation); this assumption is corroborated by empirical data on peregrine falcons hunting lures. We parametrically vary the falcon's starting position relative to its prey, together with the feedback gain of its guidance loop, under differing assumptions regarding its errors and delay in vision and control, and for three different patterns of prey motion. We find that, when the prey maneuvers erratically, high-altitude stoops increase catch success compared to low-altitude attacks, but only if the falcon's guidance law is appropriately tuned, and only given a high degree of precision in vision and control. Remarkably, the optimal tuning of the guidance law in our simulations coincides closely with what has been observed empirically in peregrines. High-altitude stoops are shown to be beneficial because their high airspeed enables production of higher aerodynamic forces for maneuvering, and facilitates higher roll agility as the wings are tucked, each of which is essential to catching maneuvering prey at realistic response delays.

Parametric Analysis of Airland Combat Model in High Resolution

DTIC Science & Technology

1988-09-01

continue Fprint MOE, UTILITY matrix figure 10. Flow chart of the advanced model 22 WAVE2 = numeric value (1. 2. or 12) which is supposed to be given by the...model user" if WAVE2 = 1. it will bc a BATTLE I case. and all Red forccs on Av’enue-2 attack to nodc-2S ; if \\VAVE2= 2. it will also be a BATTLE I case...but all Red forces on Aenue-2 attack to node-27 ; if WAVE2 = 12. it will be a BATTLE2 case. These outputs will be analyzed in more detail in the next

Polarizable Force Field for DNA Based on the Classical Drude Oscillator: I. Refinement Using Quantum Mechanical Base Stacking and Conformational Energetics.

PubMed

Lemkul, Justin A; MacKerell, Alexander D

2017-05-09

Empirical force fields seek to relate the configuration of a set of atoms to its energy, thus yielding the forces governing its dynamics, using classical physics rather than more expensive quantum mechanical calculations that are computationally intractable for large systems. Most force fields used to simulate biomolecular systems use fixed atomic partial charges, neglecting the influence of electronic polarization, instead making use of a mean-field approximation that may not be transferable across environments. Recent hardware and software developments make polarizable simulations feasible, and to this end, polarizable force fields represent the next generation of molecular dynamics simulation technology. In this work, we describe the refinement of a polarizable force field for DNA based on the classical Drude oscillator model by targeting quantum mechanical interaction energies and conformational energy profiles of model compounds necessary to build a complete DNA force field. The parametrization strategy employed in the present work seeks to correct weak base stacking in A- and B-DNA and the unwinding of Z-DNA observed in the previous version of the force field, called Drude-2013. Refinement of base nonbonded terms and reparametrization of dihedral terms in the glycosidic linkage, deoxyribofuranose rings, and important backbone torsions resulted in improved agreement with quantum mechanical potential energy surfaces. Notably, we expand on previous efforts by explicitly including Z-DNA conformational energetics in the refinement.

Parametric Amplification Protocol for Frequency-Modulated Magnetic Resonance Force Microscopy Signals

NASA Astrophysics Data System (ADS)

Harrell, Lee; Moore, Eric; Lee, Sanggap; Hickman, Steven; Marohn, John

2011-03-01

We present data and theoretical signal and noise calculations for a protocol using parametric amplification to evade the inherent tradeoff between signal and detector frequency noise in force-gradient magnetic resonance force microscopy signals, which are manifested as a modulated frequency shift of a high- Q microcantilever. Substrate-induced frequency noise has a 1 / f frequency dependence, while detector noise exhibits an f2 dependence on modulation frequency f . Modulation of sample spins at a frequency that minimizes these two contributions typically results in a surface frequency noise power an order of magnitude or more above the thermal limit and may prove incompatible with sample spin relaxation times as well. We show that the frequency modulated force-gradient signal can be used to excite the fundamental resonant mode of the cantilever, resulting in an audio frequency amplitude signal that is readily detected with a low-noise fiber optic interferometer. This technique allows us to modulate the force-gradient signal at a sufficiently high frequency so that substrate-induced frequency noise is evaded without subjecting the signal to the normal f2 detector noise of conventional demodulation.

Unsteady computational fluid dynamics in front crawl swimming.

PubMed

Samson, Mathias; Bernard, Anthony; Monnet, Tony; Lacouture, Patrick; David, Laurent

2017-05-01

The development of codes and power calculations currently allows the simulation of increasingly complex flows, especially in the turbulent regime. Swimming research should benefit from these technological advances to try to better understand the dynamic mechanisms involved in swimming. An unsteady Computational Fluid Dynamics (CFD) study is conducted in crawl, in order to analyse the propulsive forces generated by the hand and forearm. The k-ω SST turbulence model and an overset grid method have been used. The main objectives are to analyse the evolution of the hand-forearm propulsive forces and to explain this relative to the arm kinematics parameters. In order to validate our simulation model, the calculated forces and pressures were compared with several other experimental and numerical studies. A good agreement is found between our results and those of other studies. The hand is the segment that generates the most propulsive forces during the aquatic stroke. As the pressure component is the main source of force, the orientation of the hand-forearm in the absolute coordinate system is an important kinematic parameter in the swimming performance. The propulsive forces are biggest when the angles of attack are high. CFD appears as a very valuable tool to better analyze the mechanisms of swimming performance and offers some promising developments, especially for optimizing the performance from a parametric study.

Confronting the Uncertainty in Aerosol Forcing Using Comprehensive Observational Data

NASA Astrophysics Data System (ADS)

Johnson, J. S.; Regayre, L. A.; Yoshioka, M.; Pringle, K.; Sexton, D.; Lee, L.; Carslaw, K. S.

2017-12-01

The effect of aerosols on cloud droplet concentrations and radiative properties is the largest uncertainty in the overall radiative forcing of climate over the industrial period. In this study, we take advantage of a large perturbed parameter ensemble of simulations from the UK Met Office HadGEM-UKCA model (the aerosol component of the UK Earth System Model) to comprehensively sample uncertainty in aerosol forcing. Uncertain aerosol and atmospheric parameters cause substantial aerosol forcing uncertainty in climatically important regions. As the aerosol radiative forcing itself is unobservable, we investigate the potential for observations of aerosol and radiative properties to act as constraints on the large forcing uncertainty. We test how eight different theoretically perfect aerosol and radiation observations can constrain the forcing uncertainty over Europe. We find that the achievable constraint is weak unless many diverse observations are used simultaneously. This is due to the complex relationships between model output responses and the multiple interacting parameter uncertainties: compensating model errors mean there are many ways to produce the same model output (known as model equifinality) which impacts on the achievable constraint. However, using all eight observable quantities together we show that the aerosol forcing uncertainty can potentially be reduced by around 50%. This reduction occurs as we reduce a large sample of model variants (over 1 million) that cover the full parametric uncertainty to around 1% that are observationally plausible.Constraining the forcing uncertainty using real observations is a more complex undertaking, in which we must account for multiple further uncertainties including measurement uncertainties, structural model uncertainties and the model discrepancy from reality. Here, we make a first attempt to determine the true potential constraint on the forcing uncertainty from our model that is achievable using a comprehensive set of real aerosol and radiation observations taken from ground stations, flight campaigns and satellite. This research has been supported by the UK-China Research & Innovation Partnership Fund through the Met Office Climate Science for Service Partnership (CSSP) China as part of the Newton Fund, and by the NERC funded GASSP project.

Accurate segmentation framework for the left ventricle wall from cardiac cine MRI

NASA Astrophysics Data System (ADS)

Sliman, H.; Khalifa, F.; Elnakib, A.; Soliman, A.; Beache, G. M.; Gimel'farb, G.; Emam, A.; Elmaghraby, A.; El-Baz, A.

2013-10-01

We propose a novel, fast, robust, bi-directional coupled parametric deformable model to segment the left ventricle (LV) wall borders using first- and second-order visual appearance features. These features are embedded in a new stochastic external force that preserves the topology of LV wall to track the evolution of the parametric deformable models control points. To accurately estimate the marginal density of each deformable model control point, the empirical marginal grey level distributions (first-order appearance) inside and outside the boundary of the deformable model are modeled with adaptive linear combinations of discrete Gaussians (LCDG). The second order visual appearance of the LV wall is accurately modeled with a new rotationally invariant second-order Markov-Gibbs random field (MGRF). We tested the proposed segmentation approach on 15 data sets in 6 infarction patients using the Dice similarity coefficient (DSC) and the average distance (AD) between the ground truth and automated segmentation contours. Our approach achieves a mean DSC value of 0.926±0.022 and AD value of 2.16±0.60 compared to two other level set methods that achieve 0.904±0.033 and 0.885±0.02 for DSC; and 2.86±1.35 and 5.72±4.70 for AD, respectively.

Regular Wave Propagation Out of Noise in Chemical Active Media

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

Alonso, S.; Sendina-Nadal, I.; Perez-Munuzuri, V.

2001-08-13

A pacemaker, regularly emitting chemical waves, is created out of noise when an excitable photosensitive Belousov-Zhabotinsky medium, strictly unable to autonomously initiate autowaves, is forced with a spatiotemporal patterned random illumination. These experimental observations are also reproduced numerically by using a set of reaction-diffusion equations for an activator-inhibitor model, and further analytically interpreted in terms of genuine coupling effects arising from parametric fluctuations. Within the same framework we also address situations of noise-sustained propagation in subexcitable media.

Multiscale Modeling of Particle-Solidification Front Dynamics, Part 3: Theoretical Aspects and Parametric Study (Preprint)

DTIC Science & Technology

2007-09-01

are investigated, i.e. the Hamaker constant, the particle size, the thermal conductivity ratio of the particle to the melt, and the solid- liquid...36 d A π =Π (1) where A is the Hamaker constant and d is the distance between the two surfaces. In this work, the disjoining pressure is...defined such that a negative Hamaker constant results in a repulsive force between the two interfaces whereas a positive Hamaker constant results in an

Approximate Stokes Drift Profiles and their use in Ocean Modelling

NASA Astrophysics Data System (ADS)

Breivik, O.; Biblot, J.; Janssen, P. A. E. M.

2016-02-01

Deep-water approximations to the Stokes drift velocity profile are explored as alternatives to the monochromatic profile. The alternative profiles investigated rely on the same two quantities required for the monochromatic profile, viz the Stokes transport and the surface Stokes drift velocity. Comparisons with parametric spectra and profiles under wave spectra from the ERA-Interim reanalysis and buoy observations reveal much better agreement than the monochromatic profile even for complex sea states. That the profiles give a closer match and a more correct shear has implications for ocean circulation models since the Coriolis-Stokes force depends on the magnitude and direction of the Stokes drift profile and Langmuir turbulence parameterizations depend sensitively on the shear of the profile. The NEMO general circulation ocean model was recently extended to incorporate the Stokes-Coriolis force along with two other wave-related effects. I will show some results from the coupled atmosphere-wave-ocean ensemble forecast system of ECMWF where these wave effects are now included in the ocean model component.

Parametric Modelling of As-Built Beam Framed Structure in Bim Environment

NASA Astrophysics Data System (ADS)

Yang, X.; Koehl, M.; Grussenmeyer, P.

2017-02-01

A complete documentation and conservation of a historic timber roof requires the integration of geometry modelling, attributional and dynamic information management and results of structural analysis. Recently developed as-built Building Information Modelling (BIM) technique has the potential to provide a uniform platform, which provides possibility to integrate the traditional geometry modelling, parametric elements management and structural analysis together. The main objective of the project presented in this paper is to develop a parametric modelling tool for a timber roof structure whose elements are leaning and crossing beam frame. Since Autodesk Revit, as the typical BIM software, provides the platform for parametric modelling and information management, an API plugin, able to automatically create the parametric beam elements and link them together with strict relationship, was developed. The plugin under development is introduced in the paper, which can obtain the parametric beam model via Autodesk Revit API from total station points and terrestrial laser scanning data. The results show the potential of automatizing the parametric modelling by interactive API development in BIM environment. It also integrates the separate data processing and different platforms into the uniform Revit software.

Optimizing Muscle Parameters in Musculoskeletal Modeling Using Monte Carlo Simulations

NASA Technical Reports Server (NTRS)

Hanson, Andrea; Reed, Erik; Cavanagh, Peter

2011-01-01

Astronauts assigned to long-duration missions experience bone and muscle atrophy in the lower limbs. The use of musculoskeletal simulation software has become a useful tool for modeling joint and muscle forces during human activity in reduced gravity as access to direct experimentation is limited. Knowledge of muscle and joint loads can better inform the design of exercise protocols and exercise countermeasure equipment. In this study, the LifeModeler(TM) (San Clemente, CA) biomechanics simulation software was used to model a squat exercise. The initial model using default parameters yielded physiologically reasonable hip-joint forces. However, no activation was predicted in some large muscles such as rectus femoris, which have been shown to be active in 1-g performance of the activity. Parametric testing was conducted using Monte Carlo methods and combinatorial reduction to find a muscle parameter set that more closely matched physiologically observed activation patterns during the squat exercise. Peak hip joint force using the default parameters was 2.96 times body weight (BW) and increased to 3.21 BW in an optimized, feature-selected test case. The rectus femoris was predicted to peak at 60.1% activation following muscle recruitment optimization, compared to 19.2% activation with default parameters. These results indicate the critical role that muscle parameters play in joint force estimation and the need for exploration of the solution space to achieve physiologically realistic muscle activation.

Local tests of gravitation with Gaia observations of Solar System Objects

NASA Astrophysics Data System (ADS)

Hees, Aurélien; Le Poncin-Lafitte, Christophe; Hestroffer, Daniel; David, Pedro

2018-04-01

In this proceeding, we show how observations of Solar System Objects with Gaia can be used to test General Relativity and to constrain modified gravitational theories. The high number of Solar System objects observed and the variety of their orbital parameters associated with the impressive astrometric accuracy will allow us to perform local tests of General Relativity. In this communication, we present a preliminary sensitivity study of the Gaia observations on dynamical parameters such as the Sun quadrupolar moment and on various extensions to general relativity such as the parametrized post-Newtonian parameters, the fifth force formalism and a violation of Lorentz symmetry parametrized by the Standard-Model extension framework. We take into account the time sequences and the geometry of the observations that are particular to Gaia for its nominal mission (5 years) and for an extended mission (10 years).

A Fully Nonlinear, Dynamically Consistent Numerical Model for Solid-Body Ship Motion. I. Ship Motion with Fixed Heading

NASA Technical Reports Server (NTRS)

Lin, Ray-Quing; Kuang, Weijia

2011-01-01

In this paper, we describe the details of our numerical model for simulating ship solidbody motion in a given environment. In this model, the fully nonlinear dynamical equations governing the time-varying solid-body ship motion under the forces arising from ship wave interactions are solved with given initial conditions. The net force and moment (torque) on the ship body are directly calculated via integration of the hydrodynamic pressure over the wetted surface and the buoyancy effect from the underwater volume of the actual ship hull with a hybrid finite-difference/finite-element method. Neither empirical nor free parametrization is introduced in this model, i.e. no a priori experimental data are needed for modelling. This model is benchmarked with many experiments of various ship hulls for heave, roll and pitch motion. In addition to the benchmark cases, numerical experiments are also carried out for strongly nonlinear ship motion with a fixed heading. These new cases demonstrate clearly the importance of nonlinearities in ship motion modelling.

Pooling sexes when assessing ground reaction forces during walking: Statistical Parametric Mapping versus traditional approach.

PubMed

Castro, Marcelo P; Pataky, Todd C; Sole, Gisela; Vilas-Boas, Joao Paulo

2015-07-16

Ground reaction force (GRF) data from men and women are commonly pooled for analyses. However, it may not be justifiable to pool sexes on the basis of discrete parameters extracted from continuous GRF gait waveforms because this can miss continuous effects. Forty healthy participants (20 men and 20 women) walked at a cadence of 100 steps per minute across two force plates, recording GRFs. Two statistical methods were used to test the null hypothesis of no mean GRF differences between sexes: (i) Statistical Parametric Mapping-using the entire three-component GRF waveform; and (ii) traditional approach-using the first and second vertical GRF peaks. Statistical Parametric Mapping results suggested large sex differences, which post-hoc analyses suggested were due predominantly to higher anterior-posterior and vertical GRFs in early stance in women compared to men. Statistically significant differences were observed for the first GRF peak and similar values for the second GRF peak. These contrasting results emphasise that different parts of the waveform have different signal strengths and thus that one may use the traditional approach to choose arbitrary metrics and make arbitrary conclusions. We suggest that researchers and clinicians consider both the entire gait waveforms and sex-specificity when analysing GRF data. Copyright © 2015 Elsevier Ltd. All rights reserved.

Biological Parametric Mapping: A Statistical Toolbox for Multi-Modality Brain Image Analysis

PubMed Central

Casanova, Ramon; Ryali, Srikanth; Baer, Aaron; Laurienti, Paul J.; Burdette, Jonathan H.; Hayasaka, Satoru; Flowers, Lynn; Wood, Frank; Maldjian, Joseph A.

2006-01-01

In recent years multiple brain MR imaging modalities have emerged; however, analysis methodologies have mainly remained modality specific. In addition, when comparing across imaging modalities, most researchers have been forced to rely on simple region-of-interest type analyses, which do not allow the voxel-by-voxel comparisons necessary to answer more sophisticated neuroscience questions. To overcome these limitations, we developed a toolbox for multimodal image analysis called biological parametric mapping (BPM), based on a voxel-wise use of the general linear model. The BPM toolbox incorporates information obtained from other modalities as regressors in a voxel-wise analysis, thereby permitting investigation of more sophisticated hypotheses. The BPM toolbox has been developed in MATLAB with a user friendly interface for performing analyses, including voxel-wise multimodal correlation, ANCOVA, and multiple regression. It has a high degree of integration with the SPM (statistical parametric mapping) software relying on it for visualization and statistical inference. Furthermore, statistical inference for a correlation field, rather than a widely-used T-field, has been implemented in the correlation analysis for more accurate results. An example with in-vivo data is presented demonstrating the potential of the BPM methodology as a tool for multimodal image analysis. PMID:17070709

Parametric analysis of electromechanical and fatigue performance of total knee replacement bearing with embedded piezoelectric transducers.

PubMed

Safaei, Mohsen; Meneghini, R Michael; Anton, Steven R

2017-09-01

Total knee arthroplasty (TKA) is a common procedure in the United States; it has been estimated that about 4 million people are currently living with primary knee replacement in this country. Despite huge improvements in material properties, implant design, and surgical techniques, some implants fail a few years after surgery. A lack of information about in vivo kinetics of the knee prevents the establishment of a correlated intra- and postoperative loading pattern in knee implants. In this study, a conceptual design of an ultra high molecular weight (UHMW) knee bearing with embedded piezoelectric transducers is proposed, which is able to measure the reaction forces from knee motion as well as harvest energy to power embedded electronics. A simplified geometry consisting of a disk of UHMW with a single embedded piezoelectric ceramic is used in this work to study the general parametric trends of an instrumented knee bearing. A combined finite element and electromechanical modeling framework is employed to investigate the fatigue behavior of the instrumented bearing and the electromechanical performance of the embedded piezoelectric. The model is validated through experimental testing and utilized for further parametric studies. Parametric studies consist of the investigation of the effects of several dimensional and piezoelectric material parameters on the durability of the bearing and electrical output of the transducers. Among all the parameters, it is shown that adding large fillet radii results in noticeable improvement in the fatigue life of the bearing. Additionally, the design is highly sensitive to the depth of piezoelectric pocket. Finally, using PZT-5H piezoceramics, higher voltage and slightly enhanced fatigue life is achieved.

Parametric analysis of electromechanical and fatigue performance of total knee replacement bearing with embedded piezoelectric transducers

NASA Astrophysics Data System (ADS)

Safaei, Mohsen; Meneghini, R. Michael; Anton, Steven R.

2017-09-01

Total knee arthroplasty is a common procedure in the United States; it has been estimated that about 4 million people are currently living with primary knee replacement in this country. Despite huge improvements in material properties, implant design, and surgical techniques, some implants fail a few years after surgery. A lack of information about in vivo kinetics of the knee prevents the establishment of a correlated intra- and postoperative loading pattern in knee implants. In this study, a conceptual design of an ultra high molecular weight (UHMW) knee bearing with embedded piezoelectric transducers is proposed, which is able to measure the reaction forces from knee motion as well as harvest energy to power embedded electronics. A simplified geometry consisting of a disk of UHMW with a single embedded piezoelectric ceramic is used in this work to study the general parametric trends of an instrumented knee bearing. A combined finite element and electromechanical modeling framework is employed to investigate the fatigue behavior of the instrumented bearing and the electromechanical performance of the embedded piezoelectric. The model is validated through experimental testing and utilized for further parametric studies. Parametric studies consist of the investigation of the effects of several dimensional and piezoelectric material parameters on the durability of the bearing and electrical output of the transducers. Among all the parameters, it is shown that adding large fillet radii results in noticeable improvement in the fatigue life of the bearing. Additionally, the design is highly sensitive to the depth of piezoelectric pocket. Finally, using PZT-5H piezoceramics, higher voltage and slightly enhanced fatigue life is achieved.

Force Reduction Impacts on Resourcing Army Operational Requirements

DTIC Science & Technology

2017-03-10

scenarios involving parametric changes to demand for and supply of manpower and equipment from the institutional Army. This type of mission- based ...i SPECIAL REPORT Force Reduction Impacts on Resourcing Army Operational Requirements By Dynamics Research Corporation In Partial... Research .................................................................................................. 12 2.1.2 Identifying and Collecting Unit

Effect of lateralized design on muscle and joint reaction forces for reverse shoulder arthroplasty.

PubMed

Liou, William; Yang, Yang; Petersen-Fitts, Graysen R; Lombardo, Daniel J; Stine, Sasha; Sabesan, Vani J

2017-04-01

Manufacturers of reverse shoulder arthroplasty (RSA) implants have recently designed innovative implants to optimize performance in rotator cuff-deficient shoulders. These advancements are not without tradeoffs and can have negative biomechanical effects. The objective of this study was to develop an integrated finite element analysis-kinematic model to compare the muscle forces and joint reaction forces (JRFs) of 3 different RSA designs. A kinematic model of a normal shoulder joint was adapted from the Delft model and integrated with the well-validated OpenSim shoulder model. Static optimizations then allowed for calculation of the individual muscle forces, moment arms, and JRFs relative to net joint moments. Three-dimensional computer models of 3 RSA designs-humeral lateralized design (HLD), glenoid lateralized design, and Grammont design-were integrated, and parametric studies were performed. Overall, there were decreases in deltoid and rotator cuff muscle forces for all 3 RSA designs. These decreases were greatest in the middle deltoid of the HLD model for abduction and flexion and in the rotator cuff muscles under both internal rotation and external rotation. The JRFs in abduction and flexion decreased similarly for all RSA designs compared with the normal shoulder model, with the greatest decrease seen in the HLD model. These findings demonstrate that the design characteristics implicit in these modified RSA prostheses result in mechanical differences most prominently seen in the deltoid muscle and overall JRFs. Further research using this novel integrated model can help guide continued optimization of RSA design and clinical outcomes. Copyright © 2017 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Elsevier Inc. All rights reserved.

Sail Plan Configuration Optimization for a Modern Clipper Ship

NASA Astrophysics Data System (ADS)

Gerritsen, Margot; Doyle, Tyler; Iaccarino, Gianluca; Moin, Parviz

2002-11-01

We investigate the use of gradient-based and evolutionary algorithms for sail shape optimization. We present preliminary results for the optimization of sheeting angles for the rig of the future three-masted clipper yacht Maltese Falcon. This yacht will be equipped with square-rigged masts made up of yards of circular arc cross sections. This design is especially attractive for megayachts because it provides a large sail area while maintaining aerodynamic and structural efficiency. The rig remains almost rigid in a large range of wind conditions and therefore a simple geometrical model can be constructed without accounting for the true flying shape. The sheeting angle optimization studies are performed using both gradient-based cost function minimization and evolutionary algorithms. The fluid flow is modeled by the Reynolds-averaged Navier-Stokes equations with the Spallart-Allmaras turbulence model. Unstructured non-conforming grids are used to increase robustness and computational efficiency. The optimization process is automated by integrating the system components (geometry construction, grid generation, flow solver, force calculator, optimization). We compare the optimization results to those done previously by user-controlled parametric studies using simple cost functions and user intuition. We also investigate the effectiveness of various cost functions in the optimization (driving force maximization, ratio of driving force to heeling force maximization).

Research on simplified parametric finite element model of automobile frontal crash

NASA Astrophysics Data System (ADS)

Wu, Linan; Zhang, Xin; Yang, Changhai

2018-05-01

The modeling method and key technologies of the automobile frontal crash simplified parametric finite element model is studied in this paper. By establishing the auto body topological structure, extracting and parameterizing the stiffness properties of substructures, choosing appropriate material models for substructures, the simplified parametric FE model of M6 car is built. The comparison of the results indicates that the simplified parametric FE model can accurately calculate the automobile crash responses and the deformation of the key substructures, and the simulation time is reduced from 6 hours to 2 minutes.

Software cost/resource modeling: Deep space network software cost estimation model

NASA Technical Reports Server (NTRS)

Tausworthe, R. J.

1980-01-01

A parametric software cost estimation model prepared for JPL deep space network (DSN) data systems implementation tasks is presented. The resource estimation model incorporates principles and data from a number of existing models, such as those of the General Research Corporation, Doty Associates, IBM (Walston-Felix), Rome Air Force Development Center, University of Maryland, and Rayleigh-Norden-Putnam. The model calibrates task magnitude and difficulty, development environment, and software technology effects through prompted responses to a set of approximately 50 questions. Parameters in the model are adjusted to fit JPL software lifecycle statistics. The estimation model output scales a standard DSN work breakdown structure skeleton, which is then input to a PERT/CPM system, producing a detailed schedule and resource budget for the project being planned.

GROMOS polarizable charge-on-spring models for liquid urea: COS/U and COS/U2

NASA Astrophysics Data System (ADS)

Lin, Zhixiong; Bachmann, Stephan J.; van Gunsteren, Wilfred F.

2015-03-01

Two one-site polarizable urea models, COS/U and COS/U2, based on the charge-on-spring model are proposed. The models are parametrized against thermodynamic properties of urea-water mixtures in combination with the polarizable COS/G2 and COS/D2 models for liquid water, respectively, and have the same functional form of the inter-atomic interaction function and are based on the same parameter calibration procedure and type of experimental data as used to develop the GROMOS biomolecular force field. Thermodynamic, dielectric, and dynamic properties of urea-water mixtures simulated using the polarizable models are closer to experimental data than using the non-polarizable models. The COS/U and COS/U2 models may be used in biomolecular simulations of protein denaturation.

Why preferring parametric forecasting to nonparametric methods?

PubMed

Jabot, Franck

2015-05-07

A recent series of papers by Charles T. Perretti and collaborators have shown that nonparametric forecasting methods can outperform parametric methods in noisy nonlinear systems. Such a situation can arise because of two main reasons: the instability of parametric inference procedures in chaotic systems which can lead to biased parameter estimates, and the discrepancy between the real system dynamics and the modeled one, a problem that Perretti and collaborators call "the true model myth". Should ecologists go on using the demanding parametric machinery when trying to forecast the dynamics of complex ecosystems? Or should they rely on the elegant nonparametric approach that appears so promising? It will be here argued that ecological forecasting based on parametric models presents two key comparative advantages over nonparametric approaches. First, the likelihood of parametric forecasting failure can be diagnosed thanks to simple Bayesian model checking procedures. Second, when parametric forecasting is diagnosed to be reliable, forecasting uncertainty can be estimated on virtual data generated with the fitted to data parametric model. In contrast, nonparametric techniques provide forecasts with unknown reliability. This argumentation is illustrated with the simple theta-logistic model that was previously used by Perretti and collaborators to make their point. It should convince ecologists to stick to standard parametric approaches, until methods have been developed to assess the reliability of nonparametric forecasting. Copyright © 2015 Elsevier Ltd. All rights reserved.

Disentangling the uncertainty of hydrologic drought characteristics in a multi-model century-long experiment in continental river basins

NASA Astrophysics Data System (ADS)

Samaniego, Luis; Kumar, Rohini; Pechlivanidis, Illias; Breuer, Lutz; Wortmann, Michel; Vetter, Tobias; Flörke, Martina; Chamorro, Alejandro; Schäfer, David; Shah, Harsh; Zeng, Xiaofan

2016-04-01

The quantification of the predictive uncertainty in hydrologic models and their attribution to its main sources is of particular interest in climate change studies. In recent years, a number of studies have been aimed at assessing the ability of hydrologic models (HMs) to reproduce extreme hydrologic events. Disentangling the overall uncertainty of streamflow -including its derived low-flow characteristics- into individual contributions, stemming from forcings and model structure, has also been studied. Based on recent literature, it can be stated that there is a controversy with respect to which source is the largest (e.g., Teng, et al. 2012, Bosshard et al. 2013, Prudhomme et al. 2014). Very little has also been done to estimate the relative impact of the parametric uncertainty of the HMs with respect to overall uncertainty of low-flow characteristics. The ISI-MIP2 project provides a unique opportunity to understand the propagation of forcing and model structure uncertainties into century-long time series of drought characteristics. This project defines a consistent framework to deal with compatible initial conditions for the HMs and a set of standardized historical and future forcings. Moreover, the ensemble of hydrologic model predictions varies across a broad range of climate scenarios and regions. To achieve this goal, we use six preconditioned hydrologic models (HYPE or HBV, mHM, SWIM, VIC, and WaterGAP3) set up in seven large continental river basins: Amazon, Blue Nile, Ganges, Niger, Mississippi, Rhine, Yellow. These models are forced with bias-corrected outputs of five CMIP5 general circulation models (GCM) under four extreme representative concentration pathway (RCP) scenarios (i.e. 2.6, 4.5, 6.0, and 8.5 Wm-2) for the period 1971-2099. Simulated streamflow is transformed into a monthly runoff index (RI) to analyze the attribution of the GCM and HM uncertainty into drought magnitude and duration over time. Uncertainty contributions are investigated during periods: 1) 2006-2035, 2) 2036-2065 and 3) 2070-2099. Results presented in Samaniego et al. 2015 (submitted) indicate that GCM uncertainty mostly dominates over HM uncertainty for predictions of runoff drought characteristics, irrespective of the selected RCP and region. For the mHM model, in particular, GCM uncertainty always dominates over parametric uncertainty. In general, the overall uncertainty increases with time. The larger the radiative forcing of the RCP, the larger the uncertainty in drought characteristics, however, the propagation of the GCM uncertainty onto a drought characteristic depends largely upon the hydro-climatic regime. While our study emphasizes the need for multi-model ensembles for the assessment of future drought projections, the agreement between GCM forcings is still weak to draw conclusive recommendations. References: L. Samaniego, R. Kumar, I. G. Pechlivanidis, L. Breuer, M. Wortmann, T. Vetter, M. Flörke, A. Chamorro, D. Schäfer, H. Shah, X. Zeng: Propagation of forcing and model uncertainty into hydrological drought characteristics in a multi-model century-long experiment in continental river basins. Submitted to Climatic Change on Dec 2015. Bosshard, et al. 2013. doi:10.1029/2011WR011533. Prudhomme et al. 2014, doi:10.1073/pnas.1222473110. Teng, et al. 2012, doi:10.1175/JHM-D-11-058.1.

Finite element modelling of reinforced large-opening on the web of steel beam considering axial forces

NASA Astrophysics Data System (ADS)

Sukrawa, Made

2017-11-01

Experimental and analytical researches on the effect of web opening in steel beams have been repeatedly reported in literature because of the advantages gain from the many function of the opening. Most of the research on this area, however, did not consider deformation and stress in the beam due to axial force. In seismic design of steel structure, the axial force in the beam could be significantly high and therefore worth considering. In this study a beam extracted from a braced frame structure was analyzed using finite element models to investigate the effect of combined bending and axial forces on the deformation and stresses in the vicinity of the opening. Large size of square, rectangular, and circular openings of the same depth were reinforced and placed in pair, symmetrical to the concentrated load at mid span of the beam. Four types of reinforcement were used, all around (AA), short horizontal (SH), long horizontal (LH), and doubler plate (DP). The effect of axial load was also investigated using rigid frame model loaded vertically and laterally. Validation of the modelling technique was done prior to the parametric study. It was revealed that the axial force significantly contributes to the stress concentration near the hole. Stiffener of circular shape was effective to improve the stress distribution around the circular opening. For square and rectangular openings, however, the horizontal stiffener, extended beyond the edge of opening, performed better than the other type of stiffeners.

Perspectives on scaling and multiscaling in passive scalar turbulence

NASA Astrophysics Data System (ADS)

Banerjee, Tirthankar; Basu, Abhik

2018-05-01

We revisit the well-known problem of multiscaling in substances passively advected by homogeneous and isotropic turbulent flows or passive scalar turbulence. To that end we propose a two-parameter continuum hydrodynamic model for an advected substance concentration θ , parametrized jointly by y and y ¯, that characterize the spatial scaling behavior of the variances of the advecting stochastic velocity and the stochastic additive driving force, respectively. We analyze it within a one-loop dynamic renormalization group method to calculate the multiscaling exponents of the equal-time structure functions of θ . We show how the interplay between the advective velocity and the additive force may lead to simple scaling or multiscaling. In one limit, our results reduce to the well-known results from the Kraichnan model for passive scalar. Our framework of analysis should be of help for analytical approaches for the still intractable problem of fluid turbulence itself.

Importance of the ion-pair interactions in the OPEP coarse-grained force field: parametrization and validation.

PubMed

Sterpone, Fabio; Nguyen, Phuong H; Kalimeri, Maria; Derreumaux, Philippe

2013-10-08

We have derived new effective interactions that improve the description of ion-pairs in the OPEP coarse-grained force field without introducing explicit electrostatic terms. The iterative Boltzmann inversion method was used to extract these potentials from all atom simulations by targeting the radial distribution function of the distance between the center of mass of the side-chains. The new potentials have been tested on several systems that differ in structural properties, thermodynamic stabilities and number of ion-pairs. Our modeling, by refining the packing of the charged amino-acids, impacts the stability of secondary structure motifs and the population of intermediate states during temperature folding/unfolding; it also improves the aggregation propensity of peptides. The new version of the OPEP force field has the potentiality to describe more realistically a large spectrum of situations where salt-bridges are key interactions.

Coaxial Dump Ramjet Combustor Combustion Instabilities. Part I. Parametric Test Data.

DTIC Science & Technology

1981-07-01

AD-AIII 355 COAXIAL DUP RA8.? COMBUSTOR COMBUSTION INSTABILITIES I/~ PART I PARAUER1C. 1111 AIR FORCE WRIONT AERONUTICAL LAOS WRIOIII-PATTERSOll...MICROCOPY RESOLUTION TEST CHART NATIONAL BUREAU OF STANOAROS - 193- A AFWAL-TR-81 -2047 Part 1 COAXIAL DUMP RAMJET COMBUSTOR COMBUSTION INSTABILITIES PART...COMBUSTOR Interim Report for Period COMBUSTION INSTABILITIES February 1979 - March 1980 Part I - Parametric Test Data S. PERFORMING ORG. REPORT NUMBER 7

Parametric Oscillation, Frequency Mixing, and Injection Locking of Strongly Coupled Nanomechanical Resonator Modes.

PubMed

Seitner, Maximilian J; Abdi, Mehdi; Ridolfo, Alessandro; Hartmann, Michael J; Weig, Eva M

2017-06-23

We study locking phenomena of two strongly coupled, high quality factor nanomechanical resonator modes to a common parametric drive at a single drive frequency in different parametric driving regimes. By controlled dielectric gradient forces we tune the resonance frequencies of the flexural in-plane and out-of-plane oscillation of the high stress silicon nitride string through their mutual avoided crossing. For the case of the strong common parametric drive signal-idler generation via nondegenerate parametric two-mode oscillation is observed. Broadband frequency tuning of the very narrow linewidth signal and idler resonances is demonstrated. When the resonance frequencies of the signal and idler get closer to each other, partial injection locking, injection pulling, and complete injection locking to half of the drive frequency occurs depending on the pump strength. Furthermore, satellite resonances, symmetrically offset from the signal and idler by their beat note, are observed, which can be attributed to degenerate four-wave mixing in the highly nonlinear mechanical oscillations.

Acceleration of the direct reconstruction of linear parametric images using nested algorithms.

PubMed

Wang, Guobao; Qi, Jinyi

2010-03-07

Parametric imaging using dynamic positron emission tomography (PET) provides important information for biological research and clinical diagnosis. Indirect and direct methods have been developed for reconstructing linear parametric images from dynamic PET data. Indirect methods are relatively simple and easy to implement because the image reconstruction and kinetic modeling are performed in two separate steps. Direct methods estimate parametric images directly from raw PET data and are statistically more efficient. However, the convergence rate of direct algorithms can be slow due to the coupling between the reconstruction and kinetic modeling. Here we present two fast gradient-type algorithms for direct reconstruction of linear parametric images. The new algorithms decouple the reconstruction and linear parametric modeling at each iteration by employing the principle of optimization transfer. Convergence speed is accelerated by running more sub-iterations of linear parametric estimation because the computation cost of the linear parametric modeling is much less than that of the image reconstruction. Computer simulation studies demonstrated that the new algorithms converge much faster than the traditional expectation maximization (EM) and the preconditioned conjugate gradient algorithms for dynamic PET.

A delay differential model of ENSO variability: parametric instability and the distribution of extremes

NASA Astrophysics Data System (ADS)

Ghil, M.; Zaliapin, I.; Thompson, S.

2008-05-01

We consider a delay differential equation (DDE) model for El-Niño Southern Oscillation (ENSO) variability. The model combines two key mechanisms that participate in ENSO dynamics: delayed negative feedback and seasonal forcing. We perform stability analyses of the model in the three-dimensional space of its physically relevant parameters. Our results illustrate the role of these three parameters: strength of seasonal forcing b, atmosphere-ocean coupling κ, and propagation period τ of oceanic waves across the Tropical Pacific. Two regimes of variability, stable and unstable, are separated by a sharp neutral curve in the (b, τ) plane at constant κ. The detailed structure of the neutral curve becomes very irregular and possibly fractal, while individual trajectories within the unstable region become highly complex and possibly chaotic, as the atmosphere-ocean coupling κ increases. In the unstable regime, spontaneous transitions occur in the mean "temperature" (i.e., thermocline depth), period, and extreme annual values, for purely periodic, seasonal forcing. The model reproduces the Devil's bleachers characterizing other ENSO models, such as nonlinear, coupled systems of partial differential equations; some of the features of this behavior have been documented in general circulation models, as well as in observations. We expect, therefore, similar behavior in much more detailed and realistic models, where it is harder to describe its causes as completely.

Galaxy cluster lensing masses in modified lensing potentials

DOE PAGES

Barreira, Alexandre; Li, Baojiu; Jennings, Elise; ...

2015-10-28

In this study, we determine the concentration–mass relation of 19 X-ray selected galaxy clusters from the Cluster Lensing and Supernova Survey with Hubble survey in theories of gravity that directly modify the lensing potential. We model the clusters as Navarro–Frenk–White haloes and fit their lensing signal, in the Cubic Galileon and Nonlocal gravity models, to the lensing convergence profiles of the clusters. We discuss a number of important issues that need to be taken into account, associated with the use of non-parametric and parametric lensing methods, as well as assumptions about the background cosmology. Our results show that the concentrationmore » and mass estimates in the modified gravity models are, within the error bars, the same as in Λ cold dark matter. This result demonstrates that, for the Nonlocal model, the modifications to gravity are too weak at the cluster redshifts, and for the Galileon model, the screening mechanism is very efficient inside the cluster radius. However, at distances ~ [2–20] Mpc/h from the cluster centre, we find that the surrounding force profiles are enhanced by ~ 20–40% in the Cubic Galileon model. This has an impact on dynamical mass estimates, which means that tests of gravity based on comparisons between lensing and dynamical masses can also be applied to the Cubic Galileon model.« less

Free-form geometric modeling by integrating parametric and implicit PDEs.

PubMed

Du, Haixia; Qin, Hong

2007-01-01

Parametric PDE techniques, which use partial differential equations (PDEs) defined over a 2D or 3D parametric domain to model graphical objects and processes, can unify geometric attributes and functional constraints of the models. PDEs can also model implicit shapes defined by level sets of scalar intensity fields. In this paper, we present an approach that integrates parametric and implicit trivariate PDEs to define geometric solid models containing both geometric information and intensity distribution subject to flexible boundary conditions. The integrated formulation of second-order or fourth-order elliptic PDEs permits designers to manipulate PDE objects of complex geometry and/or arbitrary topology through direct sculpting and free-form modeling. We developed a PDE-based geometric modeling system for shape design and manipulation of PDE objects. The integration of implicit PDEs with parametric geometry offers more general and arbitrary shape blending and free-form modeling for objects with intensity attributes than pure geometric models.

Parametric uncertainties in global model simulations of black carbon column mass concentration

NASA Astrophysics Data System (ADS)

Pearce, Hana; Lee, Lindsay; Reddington, Carly; Carslaw, Ken; Mann, Graham

2016-04-01

Previous studies have deduced that the annual mean direct radiative forcing from black carbon (BC) aerosol may regionally be up to 5 W m-2 larger than expected due to underestimation of global atmospheric BC absorption in models. We have identified the magnitude and important sources of parametric uncertainty in simulations of BC column mass concentration from a global aerosol microphysics model (GLOMAP-Mode). A variance-based uncertainty analysis of 28 parameters has been performed, based on statistical emulators trained on model output from GLOMAP-Mode. This is the largest number of uncertain model parameters to be considered in a BC uncertainty analysis to date and covers primary aerosol emissions, microphysical processes and structural parameters related to the aerosol size distribution. We will present several recommendations for further research to improve the fidelity of simulated BC. In brief, we find that the standard deviation around the simulated mean annual BC column mass concentration varies globally between 2.5 x 10-9 g cm-2 in remote marine regions and 1.25 x 10-6 g cm-2 near emission sources due to parameter uncertainty Between 60 and 90% of the variance over source regions is due to uncertainty associated with primary BC emission fluxes, including biomass burning, fossil fuel and biofuel emissions. While the contributions to BC column uncertainty from microphysical processes, for example those related to dry and wet deposition, are increased over remote regions, we find that emissions still make an important contribution in these areas. It is likely, however, that the importance of structural model error, i.e. differences between models, is greater than parametric uncertainty. We have extended our analysis to emulate vertical BC profiles at several locations in the mid-Pacific Ocean and identify the parameters contributing to uncertainty in the vertical distribution of black carbon at these locations. We will present preliminary comparisons of emulated BC vertical profiles from the AeroCom multi-model ensemble and Hiaper Pole-to-Pole (HIPPO) observations.

Evaluating Force-Field London Dispersion Coefficients Using the Exchange-Hole Dipole Moment Model.

PubMed

Mohebifar, Mohamad; Johnson, Erin R; Rowley, Christopher N

2017-12-12

London dispersion interactions play an integral role in materials science and biophysics. Force fields for atomistic molecular simulations typically represent dispersion interactions by the 12-6 Lennard-Jones potential using empirically determined parameters. These parameters are generally underdetermined, and there is no straightforward way to test if they are physically realistic. Alternatively, the exchange-hole dipole moment (XDM) model from density-functional theory predicts atomic and molecular London dispersion coefficients from first principles, providing an innovative strategy to validate the dispersion terms of molecular-mechanical force fields. In this work, the XDM model was used to obtain the London dispersion coefficients of 88 organic molecules relevant to biochemistry and pharmaceutical chemistry and the values compared with those derived from the Lennard-Jones parameters of the CGenFF, GAFF, OPLS, and Drude polarizable force fields. The molecular dispersion coefficients for the CGenFF, GAFF, and OPLS models are systematically higher than the XDM-calculated values by a factor of roughly 1.5, likely due to neglect of higher order dispersion terms and premature truncation of the dispersion-energy summation. The XDM dispersion coefficients span a large range for some molecular-mechanical atom types, suggesting an unrecognized source of error in force-field models, which assume that atoms of the same type have the same dispersion interactions. Agreement with the XDM dispersion coefficients is even poorer for the Drude polarizable force field. Popular water models were also examined, and TIP3P was found to have dispersion coefficients similar to the experimental and XDM references, although other models employ anomalously high values. Finally, XDM-derived dispersion coefficients were used to parametrize molecular-mechanical force fields for five liquids-benzene, toluene, cyclohexane, n-pentane, and n-hexane-which resulted in improved accuracy in the computed enthalpies of vaporization despite only having to evaluate a much smaller section of the parameter space.

Dynamics of a flexible helical filament rotating in a viscous fluid near a rigid boundary

NASA Astrophysics Data System (ADS)

Jawed, M. K.; Reis, P. M.

2017-03-01

We study the effect of a no-slip rigid boundary on the dynamics of a flexible helical filament rotating in a viscous fluid, at low Reynolds number conditions (Stokes limit). This system is taken as a reduced model for the propulsion of uniflagellar bacteria, whose locomotion is known to be modified near solid boundaries. Specifically, we focus on how the propulsive force generated by the filament, as well as its buckling onset, are modified by the presence of a wall. We tackle this problem through numerical simulations that couple the elasticity of the filament, the hydrodynamic loading, and the wall effect. Each of these three ingredients is respectively modeled by the discrete elastic rods method (for a geometrically nonlinear description of the filament), Lighthill's slender body theory (for a nonlocal fluid force model), and the method of images (to emulate the boundary). The simulations are systematically validated by precision experiments on a rescaled macroscopic apparatus. We find that the propulsive force increases near the wall, while the critical rotation frequency for the onset of buckling usually decreases. A systematic parametric study is performed to quantify the dependence of the wall effects on the geometric parameters of the helical filament.

Impacts of the aerodynamic force representation on the stability and performance of a galloping-based energy harvester

NASA Astrophysics Data System (ADS)

Javed, U.; Abdelkefi, A.

2017-07-01

One of the challenging tasks in the analytical modeling of galloping systems is the representation of the galloping force. In this study, the impacts of using different aerodynamic load representations on the dynamics of galloping oscillations are investigated. A distributed-parameter model is considered to determine the response of a galloping energy harvester subjected to a uniform wind speed. For the same experimental data and conditions, various polynomial expressions for the galloping force are proposed in order to determine the possible differences in the variations of the harvester's outputs as well as the type of instability. For the same experimental data of the galloping force, it is demonstrated that the choice of the coefficients of the polynomial approximation may result in a change in the type of bifurcation, the tip displacement and harvested power amplitudes. A parametric study is then performed to investigate the effects of the electrical load resistance on the harvester's performance when considering different possible representations of the aerodynamic force. It is indicated that for low and high values of the electrical resistance, there is an increase in the range of wind speeds where the response of the energy harvester is not affected. The performed analysis shows the importance of accurately representing the galloping force in order to efficiently design piezoelectric energy harvesters.

GPU-based Green's function simulations of shear waves generated by an applied acoustic radiation force in elastic and viscoelastic models.

PubMed

Yang, Yiqun; Urban, Matthew W; McGough, Robert J

2018-05-15

Shear wave calculations induced by an acoustic radiation force are very time-consuming on desktop computers, and high-performance graphics processing units (GPUs) achieve dramatic reductions in the computation time for these simulations. The acoustic radiation force is calculated using the fast near field method and the angular spectrum approach, and then the shear waves are calculated in parallel with Green's functions on a GPU. This combination enables rapid evaluation of shear waves for push beams with different spatial samplings and for apertures with different f/#. Relative to shear wave simulations that evaluate the same algorithm on an Intel i7 desktop computer, a high performance nVidia GPU reduces the time required for these calculations by a factor of 45 and 700 when applied to elastic and viscoelastic shear wave simulation models, respectively. These GPU-accelerated simulations also compared to measurements in different viscoelastic phantoms, and the results are similar. For parametric evaluations and for comparisons with measured shear wave data, shear wave simulations with the Green's function approach are ideally suited for high-performance GPUs.

Further Empirical Results on Parametric Versus Non-Parametric IRT Modeling of Likert-Type Personality Data

ERIC Educational Resources Information Center

Maydeu-Olivares, Albert

2005-01-01

Chernyshenko, Stark, Chan, Drasgow, and Williams (2001) investigated the fit of Samejima's logistic graded model and Levine's non-parametric MFS model to the scales of two personality questionnaires and found that the graded model did not fit well. We attribute the poor fit of the graded model to small amounts of multidimensionality present in…

The linear transformation model with frailties for the analysis of item response times.

PubMed

Wang, Chun; Chang, Hua-Hua; Douglas, Jeffrey A

2013-02-01

The item response times (RTs) collected from computerized testing represent an underutilized source of information about items and examinees. In addition to knowing the examinees' responses to each item, we can investigate the amount of time examinees spend on each item. In this paper, we propose a semi-parametric model for RTs, the linear transformation model with a latent speed covariate, which combines the flexibility of non-parametric modelling and the brevity as well as interpretability of parametric modelling. In this new model, the RTs, after some non-parametric monotone transformation, become a linear model with latent speed as covariate plus an error term. The distribution of the error term implicitly defines the relationship between the RT and examinees' latent speeds; whereas the non-parametric transformation is able to describe various shapes of RT distributions. The linear transformation model represents a rich family of models that includes the Cox proportional hazards model, the Box-Cox normal model, and many other models as special cases. This new model is embedded in a hierarchical framework so that both RTs and responses are modelled simultaneously. A two-stage estimation method is proposed. In the first stage, the Markov chain Monte Carlo method is employed to estimate the parametric part of the model. In the second stage, an estimating equation method with a recursive algorithm is adopted to estimate the non-parametric transformation. Applicability of the new model is demonstrated with a simulation study and a real data application. Finally, methods to evaluate the model fit are suggested. © 2012 The British Psychological Society.

Synchronization of chaotic and nonchaotic oscillators: Application to bipolar disorder

NASA Astrophysics Data System (ADS)

Nono Dueyou Buckjohn, C.; Siewe Siewe, M.; Tchawoua, C.; Kofane, T. C.

2010-08-01

In this Letter, we use a synchronization scheme on two bipolar disorder models consisting of a strong nonlinear system with multiplicative excitation and a nonlinear oscillator without parametric harmonic forcing. The stability condition following our control function is analytically demonstrated using the Lyapunov theory and Routh-Hurwitz criteria, we then have the condition for the existence of a feedback gain matrix. A convenient demonstration of the accuracy of the method is complemented by the numerical simulations from which we illustrate the synchronized dynamics between the two non-identical bipolar disorder patients.

Beyond the growth rate of cosmic structure: Testing modified gravity models with an extra degree of freedom

NASA Astrophysics Data System (ADS)

Burrage, Clare; Parkinson, David; Seery, David

2017-08-01

In "modified" gravity the observed acceleration of the universe is explained by changing the gravitational force law or the number of degrees of freedom in the gravitational sector. Both possibilities can be tested by measurements of cosmological structure formation. In this paper we elaborate the details of such tests using the Galileon model as a case study. We pay attention to the possibility that each new degree of freedom may have stochastically independent initial conditions, generating different types of potential well in the early universe and breaking complete correlation between density and velocity power spectra. This "stochastic bias" can confuse schemes to parametrize the predictions of modified gravity models, such as the use of the growth parameter f alone. Using data from the WiggleZ Dark Energy Survey we show that it will be possible to obtain constraints using information about the cosmological-scale force law embedded in the multipole power spectra of redshift-space distortions. As an example, we obtain an upper limit on the strength of the conformal coupling to matter in the cubic Galileon model, giving |1 /M |≲200 /MP . This allows the fifth-force to be stronger than gravity, but is consistent with zero coupling.

On the validation of cloud parametrization schemes in numerical atmospheric models with satellite data from ISCCP

NASA Astrophysics Data System (ADS)

Meinke, I.

2003-04-01

A new method is presented to validate cloud parametrization schemes in numerical atmospheric models with satellite data of scanning radiometers. This method is applied to the regional atmospheric model HRM (High Resolution Regional Model) using satellite data from ISCCP (International Satellite Cloud Climatology Project). Due to the limited reliability of former validations there has been a need for developing a new validation method: Up to now differences between simulated and measured cloud properties are mostly declared as deficiencies of the cloud parametrization scheme without further investigation. Other uncertainties connected with the model or with the measurements have not been taken into account. Therefore changes in the cloud parametrization scheme based on such kind of validations might not be realistic. The new method estimates uncertainties of the model and the measurements. Criteria for comparisons of simulated and measured data are derived to localize deficiencies in the model. For a better specification of these deficiencies simulated clouds are classified regarding their parametrization. With this classification the localized model deficiencies are allocated to a certain parametrization scheme. Applying this method to the regional model HRM the quality of forecasting cloud properties is estimated in detail. The overestimation of simulated clouds in low emissivity heights especially during the night is localized as model deficiency. This is caused by subscale cloudiness. As the simulation of subscale clouds in the regional model HRM is described by a relative humidity parametrization these deficiencies are connected with this parameterization.

Epidemic outbreaks and its control using a fractional order model with seasonality and stochastic infection

NASA Astrophysics Data System (ADS)

He, Shaobo; Banerjee, Santo

2018-07-01

A fractional-order SIR epidemic model is proposed under the influence of both parametric seasonality and the external noise. The integer order SIR epidemic model originally is stable. By introducing seasonality and noise force to the model, behaviors of the system is changed. It is shown that the system has rich dynamical behaviors with different system parameters, fractional derivative order and the degree of seasonality and noise. Complexity of the stochastic model is investigated by using multi-scale fuzzy entropy. Finally, hard limiter controlled system is designed and simulation results show the ratio of infected individuals can converge to a small enough target ρ, which means the epidemic outbreak can be under control by the implementation of some effective medical and health measures.

A review of parametric approaches specific to aerodynamic design process

NASA Astrophysics Data System (ADS)

Zhang, Tian-tian; Wang, Zhen-guo; Huang, Wei; Yan, Li

2018-04-01

Parametric modeling of aircrafts plays a crucial role in the aerodynamic design process. Effective parametric approaches have large design space with a few variables. Parametric methods that commonly used nowadays are summarized in this paper, and their principles have been introduced briefly. Two-dimensional parametric methods include B-Spline method, Class/Shape function transformation method, Parametric Section method, Hicks-Henne method and Singular Value Decomposition method, and all of them have wide application in the design of the airfoil. This survey made a comparison among them to find out their abilities in the design of the airfoil, and the results show that the Singular Value Decomposition method has the best parametric accuracy. The development of three-dimensional parametric methods is limited, and the most popular one is the Free-form deformation method. Those methods extended from two-dimensional parametric methods have promising prospect in aircraft modeling. Since different parametric methods differ in their characteristics, real design process needs flexible choice among them to adapt to subsequent optimization procedure.

Cryogenic Impinging Jets Subjected to High Frequency Transverse Acoustic Forcing in a High Pressure Environment

DTIC Science & Technology

2016-07-27

Transverse Acoustic Forcing in a High Pressure Environment 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) Mario ...Acoustic Forcing in a High Pressure Environment Mario Roa, Sierra Lobo, Inc. Alex Schumaker, AFRL Doug Talley, AFRL 24-27 July 2016 Joint Propulsion...Distribution A: Approved for Public Release; Distribution Unlimited. PA# 16333 9 Parametric Sweep Super -Critical Results Differences between

Development of a ReaxFF reactive force field for ammonium nitrate and application to shock compression and thermal decomposition.

PubMed

Shan, Tzu-Ray; van Duin, Adri C T; Thompson, Aidan P

2014-02-27

We have developed a new ReaxFF reactive force field parametrization for ammonium nitrate. Starting with an existing nitramine/TATB ReaxFF parametrization, we optimized it to reproduce electronic structure calculations for dissociation barriers, heats of formation, and crystal structure properties of ammonium nitrate phases. We have used it to predict the isothermal pressure-volume curve and the unreacted principal Hugoniot states. The predicted isothermal pressure-volume curve for phase IV solid ammonium nitrate agreed with electronic structure calculations and experimental data within 10% error for the considered range of compression. The predicted unreacted principal Hugoniot states were approximately 17% stiffer than experimental measurements. We then simulated thermal decomposition during heating to 2500 K. Thermal decomposition pathways agreed with experimental findings.

Prevalence Incidence Mixture Models

Cancer.gov

The R package and webtool fits Prevalence Incidence Mixture models to left-censored and irregularly interval-censored time to event data that is commonly found in screening cohorts assembled from electronic health records. Absolute and relative risk can be estimated for simple random sampling, and stratified sampling (the two approaches of superpopulation and a finite population are supported for target populations). Non-parametric (absolute risks only), semi-parametric, weakly-parametric (using B-splines), and some fully parametric (such as the logistic-Weibull) models are supported.

Blast effect on the lower extremities and its mitigation: a computational study.

PubMed

Dong, Liqiang; Zhu, Feng; Jin, Xin; Suresh, Mahi; Jiang, Binhui; Sevagan, Gopinath; Cai, Yun; Li, Guangyao; Yang, King H

2013-12-01

A series of computational studies were performed to investigate the response of the lower extremities of mounted soldiers under landmine detonation. A numerical human body model newly developed at Wayne State University was used to simulate two types of experimental studies and the model predictions were validated against test data in terms of the tibia axial force as well as bone fracture pattern. Based on the validated model, the minimum axial force causing tibia facture was found. Then a series of parametric studies was conducted to determine the critical velocity (peak velocity of the floor plate) causing tibia fracture at different upper/lower leg angles. In addition, to limit the load transmission through the vehicular floor, two types of energy absorbing materials, namely IMPAXX(®) foam and aluminum alloy honeycomb, were selected for floor matting. Their performances in terms of blast effect mitigation were compared using the validated numerical model, and it has been found that honeycomb is a more efficient material for blast injury prevention under the loading conditions studied. © 2013 Elsevier Ltd. All rights reserved.

Estimating and modelling cure in population-based cancer studies within the framework of flexible parametric survival models.

PubMed

Andersson, Therese M L; Dickman, Paul W; Eloranta, Sandra; Lambert, Paul C

2011-06-22

When the mortality among a cancer patient group returns to the same level as in the general population, that is, the patients no longer experience excess mortality, the patients still alive are considered "statistically cured". Cure models can be used to estimate the cure proportion as well as the survival function of the "uncured". One limitation of parametric cure models is that the functional form of the survival of the "uncured" has to be specified. It can sometimes be hard to find a survival function flexible enough to fit the observed data, for example, when there is high excess hazard within a few months from diagnosis, which is common among older age groups. This has led to the exclusion of older age groups in population-based cancer studies using cure models. Here we have extended the flexible parametric survival model to incorporate cure as a special case to estimate the cure proportion and the survival of the "uncured". Flexible parametric survival models use splines to model the underlying hazard function, and therefore no parametric distribution has to be specified. We have compared the fit from standard cure models to our flexible cure model, using data on colon cancer patients in Finland. This new method gives similar results to a standard cure model, when it is reliable, and better fit when the standard cure model gives biased estimates. Cure models within the framework of flexible parametric models enables cure modelling when standard models give biased estimates. These flexible cure models enable inclusion of older age groups and can give stage-specific estimates, which is not always possible from parametric cure models. © 2011 Andersson et al; licensee BioMed Central Ltd.

Estimating and modelling cure in population-based cancer studies within the framework of flexible parametric survival models

PubMed Central

2011-01-01

Background When the mortality among a cancer patient group returns to the same level as in the general population, that is, the patients no longer experience excess mortality, the patients still alive are considered "statistically cured". Cure models can be used to estimate the cure proportion as well as the survival function of the "uncured". One limitation of parametric cure models is that the functional form of the survival of the "uncured" has to be specified. It can sometimes be hard to find a survival function flexible enough to fit the observed data, for example, when there is high excess hazard within a few months from diagnosis, which is common among older age groups. This has led to the exclusion of older age groups in population-based cancer studies using cure models. Methods Here we have extended the flexible parametric survival model to incorporate cure as a special case to estimate the cure proportion and the survival of the "uncured". Flexible parametric survival models use splines to model the underlying hazard function, and therefore no parametric distribution has to be specified. Results We have compared the fit from standard cure models to our flexible cure model, using data on colon cancer patients in Finland. This new method gives similar results to a standard cure model, when it is reliable, and better fit when the standard cure model gives biased estimates. Conclusions Cure models within the framework of flexible parametric models enables cure modelling when standard models give biased estimates. These flexible cure models enable inclusion of older age groups and can give stage-specific estimates, which is not always possible from parametric cure models. PMID:21696598

The Influence of Component Alignment and Ligament Properties on Tibiofemoral Contact Forces in Total Knee Replacement.

PubMed

Smith, Colin R; Vignos, Michael F; Lenhart, Rachel L; Kaiser, Jarred; Thelen, Darryl G

2016-02-01

The study objective was to investigate the influence of coronal plane alignment and ligament properties on total knee replacement (TKR) contact loads during walking. We created a subject-specific knee model of an 83-year-old male who had an instrumented TKR. The knee model was incorporated into a lower extremity musculoskeletal model and included deformable contact, ligamentous structures, and six degrees-of-freedom (DOF) tibiofemoral and patellofemoral joints. A novel numerical optimization technique was used to simultaneously predict muscle forces, secondary knee kinematics, ligament forces, and joint contact pressures from standard gait analysis data collected on the subject. The nominal knee model predictions of medial, lateral, and total contact forces during gait agreed well with TKR measures, with root-mean-square (rms) errors of 0.23, 0.22, and 0.33 body weight (BW), respectively. Coronal plane component alignment did not affect total knee contact loads, but did alter the medial-lateral load distribution, with 4 deg varus and 4 deg valgus rotations in component alignment inducing +17% and -23% changes in the first peak medial tibiofemoral contact forces, respectively. A Monte Carlo analysis showed that uncertainties in ligament stiffness and reference strains induce ±0.2 BW uncertainty in tibiofemoral force estimates over the gait cycle. Ligament properties had substantial influence on the TKR load distributions, with the medial collateral ligament and iliotibial band (ITB) properties having the largest effects on medial and lateral compartment loading, respectively. The computational framework provides a viable approach for virtually designing TKR components, considering parametric uncertainty and predicting the effects of joint alignment and soft tissue balancing procedures on TKR function during movement.

The Influence of Component Alignment and Ligament Properties on Tibiofemoral Contact Forces in Total Knee Replacement

PubMed Central

Smith, Colin R.; Vignos, Michael F.; Lenhart, Rachel L.; Kaiser, Jarred; Thelen, Darryl G.

2016-01-01

The study objective was to investigate the influence of coronal plane alignment and ligament properties on total knee replacement (TKR) contact loads during walking. We created a subject-specific knee model of an 83-year-old male who had an instrumented TKR. The knee model was incorporated into a lower extremity musculoskeletal model and included deformable contact, ligamentous structures, and six degrees-of-freedom (DOF) tibiofemoral and patellofemoral joints. A novel numerical optimization technique was used to simultaneously predict muscle forces, secondary knee kinematics, ligament forces, and joint contact pressures from standard gait analysis data collected on the subject. The nominal knee model predictions of medial, lateral, and total contact forces during gait agreed well with TKR measures, with root-mean-square (rms) errors of 0.23, 0.22, and 0.33 body weight (BW), respectively. Coronal plane component alignment did not affect total knee contact loads, but did alter the medial–lateral load distribution, with 4 deg varus and 4 deg valgus rotations in component alignment inducing +17% and −23% changes in the first peak medial tibiofemoral contact forces, respectively. A Monte Carlo analysis showed that uncertainties in ligament stiffness and reference strains induce ±0.2 BW uncertainty in tibiofemoral force estimates over the gait cycle. Ligament properties had substantial influence on the TKR load distributions, with the medial collateral ligament and iliotibial band (ITB) properties having the largest effects on medial and lateral compartment loading, respectively. The computational framework provides a viable approach for virtually designing TKR components, considering parametric uncertainty and predicting the effects of joint alignment and soft tissue balancing procedures on TKR function during movement. PMID:26769446

Recent advances in parametric neuroreceptor mapping with dynamic PET: basic concepts and graphical analyses.

PubMed

Seo, Seongho; Kim, Su Jin; Lee, Dong Soo; Lee, Jae Sung

2014-10-01

Tracer kinetic modeling in dynamic positron emission tomography (PET) has been widely used to investigate the characteristic distribution patterns or dysfunctions of neuroreceptors in brain diseases. Its practical goal has progressed from regional data quantification to parametric mapping that produces images of kinetic-model parameters by fully exploiting the spatiotemporal information in dynamic PET data. Graphical analysis (GA) is a major parametric mapping technique that is independent on any compartmental model configuration, robust to noise, and computationally efficient. In this paper, we provide an overview of recent advances in the parametric mapping of neuroreceptor binding based on GA methods. The associated basic concepts in tracer kinetic modeling are presented, including commonly-used compartment models and major parameters of interest. Technical details of GA approaches for reversible and irreversible radioligands are described, considering both plasma input and reference tissue input models. Their statistical properties are discussed in view of parametric imaging.

GROMOS polarizable charge-on-spring models for liquid urea: COS/U and COS/U2

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

Lin, Zhixiong; Bachmann, Stephan J.; Gunsteren, Wilfred F. van, E-mail: wfvgn@igc.phys.chem.ethz.ch

2015-03-07

Two one-site polarizable urea models, COS/U and COS/U2, based on the charge-on-spring model are proposed. The models are parametrized against thermodynamic properties of urea-water mixtures in combination with the polarizable COS/G2 and COS/D2 models for liquid water, respectively, and have the same functional form of the inter-atomic interaction function and are based on the same parameter calibration procedure and type of experimental data as used to develop the GROMOS biomolecular force field. Thermodynamic, dielectric, and dynamic properties of urea-water mixtures simulated using the polarizable models are closer to experimental data than using the non-polarizable models. The COS/U and COS/U2 modelsmore » may be used in biomolecular simulations of protein denaturation.« less

Order statistics inference for describing topological coupling and mechanical symmetry breaking in multidomain proteins

NASA Astrophysics Data System (ADS)

Kononova, Olga; Jones, Lee; Barsegov, V.

2013-09-01

Cooperativity is a hallmark of proteins, many of which show a modular architecture comprising discrete structural domains. Detecting and describing dynamic couplings between structural regions is difficult in view of the many-body nature of protein-protein interactions. By utilizing the GPU-based computational acceleration, we carried out simulations of the protein forced unfolding for the dimer WW - WW of the all-β-sheet WW domains used as a model multidomain protein. We found that while the physically non-interacting identical protein domains (WW) show nearly symmetric mechanical properties at low tension, reflected, e.g., in the similarity of their distributions of unfolding times, these properties become distinctly different when tension is increased. Moreover, the uncorrelated unfolding transitions at a low pulling force become increasingly more correlated (dependent) at higher forces. Hence, the applied force not only breaks "the mechanical symmetry" but also couples the physically non-interacting protein domains forming a multi-domain protein. We call this effect "the topological coupling." We developed a new theory, inspired by order statistics, to characterize protein-protein interactions in multi-domain proteins. The method utilizes the squared-Gaussian model, but it can also be used in conjunction with other parametric models for the distribution of unfolding times. The formalism can be taken to the single-molecule experimental lab to probe mechanical cooperativity and domain communication in multi-domain proteins.

Parametric Investigation of the Effect of Hub Pitching Moment on Blade Vortex Interaction (BVI) Noise of an Isolated Rotor

DTIC Science & Technology

2016-05-19

1 Parametric Investigation of the Effect of Hub Pitching Moment on Blade Vortex Interaction (BVI) Noise of an Isolated Rotor Carlos Malpica...changing the hub pitching moment for an isolated rotor, trimmed in nominal 80 knot, 6 and 12 deg descent, flight conditions, alters the miss distance...compensate for the uncomfortable change in fuselage pitch attitude introduced by a fuselage-mounted X-force controller. NOMENCLATURE xM C rolling

Identifying trends in climate: an application to the cenozoic

NASA Astrophysics Data System (ADS)

Richards, Gordon R.

1998-05-01

The recent literature on trending in climate has raised several issues, whether trends should be modeled as deterministic or stochastic, whether trends are nonlinear, and the relative merits of statistical models versus models based on physics. This article models trending since the late Cretaceous. This 68 million-year interval is selected because the reliability of tests for trending is critically dependent on the length of time spanned by the data. Two main hypotheses are tested, that the trend has been caused primarily by CO2 forcing, and that it reflects a variety of forcing factors which can be approximated by statistical methods. The CO2 data is obtained from model simulations. Several widely-used statistical models are found to be inadequate. ARIMA methods parameterize too much of the short-term variation, and do not identify low frequency movements. Further, the unit root in the ARIMA process does not predict the long-term path of temperature. Spectral methods also have little ability to predict temperature at long horizons. Instead, the statistical trend is estimated using a nonlinear smoothing filter. Both of these paradigms make it possible to model climate as a cointegrated process, in which temperature can wander quite far from the trend path in the intermediate term, but converges back over longer horizons. Comparing the forecasting properties of the two trend models demonstrates that the optimal forecasting model includes CO2 forcing and a parametric representation of the nonlinear variability in climate.

First-Order Parametric Model of Reflectance Spectra for Dyed Fabrics

DTIC Science & Technology

2016-02-19

Unclassified Unlimited 31 Daniel Aiken (202) 279-5293 Parametric modeling Inverse /direct analysis This report describes a first-order parametric model of...Appendix: Dielectric Response Functions for Dyes Obtained by Inverse Analysis ……………………………...…………………………………………………….19 1 First-Order Parametric...which provides for both their inverse and direct modeling1. The dyes considered contain spectral features that are of interest to the U.S. Navy for

An EM-based semi-parametric mixture model approach to the regression analysis of competing-risks data.

PubMed

Ng, S K; McLachlan, G J

2003-04-15

We consider a mixture model approach to the regression analysis of competing-risks data. Attention is focused on inference concerning the effects of factors on both the probability of occurrence and the hazard rate conditional on each of the failure types. These two quantities are specified in the mixture model using the logistic model and the proportional hazards model, respectively. We propose a semi-parametric mixture method to estimate the logistic and regression coefficients jointly, whereby the component-baseline hazard functions are completely unspecified. Estimation is based on maximum likelihood on the basis of the full likelihood, implemented via an expectation-conditional maximization (ECM) algorithm. Simulation studies are performed to compare the performance of the proposed semi-parametric method with a fully parametric mixture approach. The results show that when the component-baseline hazard is monotonic increasing, the semi-parametric and fully parametric mixture approaches are comparable for mildly and moderately censored samples. When the component-baseline hazard is not monotonic increasing, the semi-parametric method consistently provides less biased estimates than a fully parametric approach and is comparable in efficiency in the estimation of the parameters for all levels of censoring. The methods are illustrated using a real data set of prostate cancer patients treated with different dosages of the drug diethylstilbestrol. Copyright 2003 John Wiley & Sons, Ltd.

Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model

PubMed Central

Bauer, Brad A.; Patel, Sandeep

2009-01-01

We present an extension of the TIP4P-QDP model, TIP4P-QDP-LJ, that is designed to couple changes in repulsive and dispersive nonbond interactions to changes in polarizability. Polarizability is intimately related to the dispersion component of classical force field models of interactions, and we explore the effect of incorporating this connection explicitly on properties along the liquid-vapor coexistence curve of pure water. Parametrized to reproduce condensed-phase liquid water properties at 298 K, the TIP4P-QDP-LJ model predicts density, enthalpy of vaporization, self-diffusion constant, and the dielectric constant at ambient conditions to about the same accuracy as TIP4P-QDP but shows remarkable improvement in reproducing the liquid-vapor coexistence curve. TIP4P-QDP-LJ predicts critical constants of Tc=623 K, ρc=0.351 g∕cm3, and Pc=250.9 atm, which are in good agreement with experimental values of Tc=647.1 K, ρc=0.322 g∕cm3, and Pc=218 atm, respectively. Applying a scaling factor correction (obtained by fitting the experimental vapor-liquid equilibrium data to the law of rectilinear diameters using a three-term Wegner expansion) the model predicts critical constants (Tc=631 K and ρc=0.308 g∕cm3). Dependence of enthalpy of vaporization, self-diffusion constant, surface tension, and dielectric constant on temperature are shown to reproduce experimental trends. We also explore the interfacial potential drop across the liquid-vapor interface for the temperatures studied. The interfacial potential demonstrates little temperature dependence at lower temperatures (300–450 K) and significantly enhanced (exponential) dependence at elevated temperatures. Terms arising from the decomposition of the interfacial potential into dipole and quadrupole contributions are shown to monotonically approach zero as the temperature approaches the critical temperature. Results of this study suggest that self-consistently treating the coupling of phase-dependent polarizability with dispersion interactions in classical water force fields may be an important effect for the extension of polarizable water force fields to reproduce properties along the liquid-vapor coexistence envelope as well as near critical conditions. More importantly, the present study demonstrates the rather remarkable transferability of a water model parametrized to a single state point to other thermodynamic states. Further studies are recommended. PMID:19725623

Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model.

PubMed

Bauer, Brad A; Patel, Sandeep

2009-08-28

We present an extension of the TIP4P-QDP model, TIP4P-QDP-LJ, that is designed to couple changes in repulsive and dispersive nonbond interactions to changes in polarizability. Polarizability is intimately related to the dispersion component of classical force field models of interactions, and we explore the effect of incorporating this connection explicitly on properties along the liquid-vapor coexistence curve of pure water. Parametrized to reproduce condensed-phase liquid water properties at 298 K, the TIP4P-QDP-LJ model predicts density, enthalpy of vaporization, self-diffusion constant, and the dielectric constant at ambient conditions to about the same accuracy as TIP4P-QDP but shows remarkable improvement in reproducing the liquid-vapor coexistence curve. TIP4P-QDP-LJ predicts critical constants of T(c)=623 K, rho(c)=0.351 g/cm(3), and P(c)=250.9 atm, which are in good agreement with experimental values of T(c)=647.1 K, rho(c)=0.322 g/cm(3), and P(c)=218 atm, respectively. Applying a scaling factor correction (obtained by fitting the experimental vapor-liquid equilibrium data to the law of rectilinear diameters using a three-term Wegner expansion) the model predicts critical constants (T(c)=631 K and rho(c)=0.308 g/cm(3)). Dependence of enthalpy of vaporization, self-diffusion constant, surface tension, and dielectric constant on temperature are shown to reproduce experimental trends. We also explore the interfacial potential drop across the liquid-vapor interface for the temperatures studied. The interfacial potential demonstrates little temperature dependence at lower temperatures (300-450 K) and significantly enhanced (exponential) dependence at elevated temperatures. Terms arising from the decomposition of the interfacial potential into dipole and quadrupole contributions are shown to monotonically approach zero as the temperature approaches the critical temperature. Results of this study suggest that self-consistently treating the coupling of phase-dependent polarizability with dispersion interactions in classical water force fields may be an important effect for the extension of polarizable water force fields to reproduce properties along the liquid-vapor coexistence envelope as well as near critical conditions. More importantly, the present study demonstrates the rather remarkable transferability of a water model parametrized to a single state point to other thermodynamic states. Further studies are recommended.

Physics-based simulations of aerial attacks by peregrine falcons reveal that stooping at high speed maximizes catch success against agile prey

PubMed Central

Hildenbrandt, Hanno

2018-01-01

The peregrine falcon Falco peregrinus is renowned for attacking its prey from high altitude in a fast controlled dive called a stoop. Many other raptors employ a similar mode of attack, but the functional benefits of stooping remain obscure. Here we investigate whether, when, and why stooping promotes catch success, using a three-dimensional, agent-based modeling approach to simulate attacks of falcons on aerial prey. We simulate avian flapping and gliding flight using an analytical quasi-steady model of the aerodynamic forces and moments, parametrized by empirical measurements of flight morphology. The model-birds’ flight control inputs are commanded by their guidance system, comprising a phenomenological model of its vision, guidance, and control. To intercept its prey, model-falcons use the same guidance law as missiles (pure proportional navigation); this assumption is corroborated by empirical data on peregrine falcons hunting lures. We parametrically vary the falcon’s starting position relative to its prey, together with the feedback gain of its guidance loop, under differing assumptions regarding its errors and delay in vision and control, and for three different patterns of prey motion. We find that, when the prey maneuvers erratically, high-altitude stoops increase catch success compared to low-altitude attacks, but only if the falcon’s guidance law is appropriately tuned, and only given a high degree of precision in vision and control. Remarkably, the optimal tuning of the guidance law in our simulations coincides closely with what has been observed empirically in peregrines. High-altitude stoops are shown to be beneficial because their high airspeed enables production of higher aerodynamic forces for maneuvering, and facilitates higher roll agility as the wings are tucked, each of which is essential to catching maneuvering prey at realistic response delays. PMID:29649207

Nonlinear dynamics of the CAM circadian rhythm in response to environmental forcing.

PubMed

Hartzell, Samantha; Bartlett, Mark S; Virgin, Lawrence; Porporato, Amilcare

2015-03-07

Crassulacean acid metabolism (CAM) photosynthesis functions as an endogenous circadian rhythm coupled to external environmental forcings of energy and water availability. This paper explores the nonlinear dynamics of a new CAM photosynthesis model (Bartlett et al., 2014) and investigates the responses of CAM plant carbon assimilation to different combinations of environmental conditions. The CAM model (Bartlett et al., 2014) consists of a Calvin cycle typical of C3 plants coupled to an oscillator of the type employed in the Van der Pol and FitzHugh-Nagumo systems. This coupled system is a function of environmental variables including leaf temperature, leaf moisture potential, and irradiance. Here, we explore the qualitative response of the system and the expected carbon assimilation under constant and periodically forced environmental conditions. The model results show how the diurnal evolution of these variables entrains the CAM cycle with prevailing environmental conditions. While constant environmental conditions generate either steady-state or periodically oscillating responses in malic acid uptake and release, forcing the CAM system with periodic daily fluctuations in light exposure and leaf temperature results in quasi-periodicity and possible chaos for certain ranges of these variables. This analysis is a first step in quantifying changes in CAM plant productivity with variables such as the mean temperature, daily temperature range, irradiance, and leaf moisture potential. Results may also be used to inform model parametrization based on the observed fluctuating regime. Copyright © 2014 Elsevier Ltd. All rights reserved.

Non-parametric identification of multivariable systems: A local rational modeling approach with application to a vibration isolation benchmark

NASA Astrophysics Data System (ADS)

Voorhoeve, Robbert; van der Maas, Annemiek; Oomen, Tom

2018-05-01

Frequency response function (FRF) identification is often used as a basis for control systems design and as a starting point for subsequent parametric system identification. The aim of this paper is to develop a multiple-input multiple-output (MIMO) local parametric modeling approach for FRF identification of lightly damped mechanical systems with improved speed and accuracy. The proposed method is based on local rational models, which can efficiently handle the lightly-damped resonant dynamics. A key aspect herein is the freedom in the multivariable rational model parametrizations. Several choices for such multivariable rational model parametrizations are proposed and investigated. For systems with many inputs and outputs the required number of model parameters can rapidly increase, adversely affecting the performance of the local modeling approach. Therefore, low-order model structures are investigated. The structure of these low-order parametrizations leads to an undesired directionality in the identification problem. To address this, an iterative local rational modeling algorithm is proposed. As a special case recently developed SISO algorithms are recovered. The proposed approach is successfully demonstrated on simulations and on an active vibration isolation system benchmark, confirming good performance of the method using significantly less parameters compared with alternative approaches.

Statistical Analysis of Complexity Generators for Cost Estimation

NASA Technical Reports Server (NTRS)

Rowell, Ginger Holmes

1999-01-01

Predicting the cost of cutting edge new technologies involved with spacecraft hardware can be quite complicated. A new feature of the NASA Air Force Cost Model (NAFCOM), called the Complexity Generator, is being developed to model the complexity factors that drive the cost of space hardware. This parametric approach is also designed to account for the differences in cost, based on factors that are unique to each system and subsystem. The cost driver categories included in this model are weight, inheritance from previous missions, technical complexity, and management factors. This paper explains the Complexity Generator framework, the statistical methods used to select the best model within this framework, and the procedures used to find the region of predictability and the prediction intervals for the cost of a mission.

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.

Optimization of Analytical Potentials for Coarse-Grained Biopolymer Models.

PubMed

Mereghetti, Paolo; Maccari, Giuseppe; Spampinato, Giulia Lia Beatrice; Tozzini, Valentina

2016-08-25

The increasing trend in the recent literature on coarse grained (CG) models testifies their impact in the study of complex systems. However, the CG model landscape is variegated: even considering a given resolution level, the force fields are very heterogeneous and optimized with very different parametrization procedures. Along the road for standardization of CG models for biopolymers, here we describe a strategy to aid building and optimization of statistics based analytical force fields and its implementation in the software package AsParaGS (Assisted Parameterization platform for coarse Grained modelS). Our method is based on the use and optimization of analytical potentials, optimized by targeting internal variables statistical distributions by means of the combination of different algorithms (i.e., relative entropy driven stochastic exploration of the parameter space and iterative Boltzmann inversion). This allows designing a custom model that endows the force field terms with a physically sound meaning. Furthermore, the level of transferability and accuracy can be tuned through the choice of statistical data set composition. The method-illustrated by means of applications to helical polypeptides-also involves the analysis of two and three variable distributions, and allows handling issues related to the FF term correlations. AsParaGS is interfaced with general-purpose molecular dynamics codes and currently implements the "minimalist" subclass of CG models (i.e., one bead per amino acid, Cα based). Extensions to nucleic acids and different levels of coarse graining are in the course.

An online input force time history reconstruction algorithm using dynamic principal component analysis

NASA Astrophysics Data System (ADS)

Prawin, J.; Rama Mohan Rao, A.

2018-01-01

The knowledge of dynamic loads acting on a structure is always required for many practical engineering problems, such as structural strength analysis, health monitoring and fault diagnosis, and vibration isolation. In this paper, we present an online input force time history reconstruction algorithm using Dynamic Principal Component Analysis (DPCA) from the acceleration time history response measurements using moving windows. We also present an optimal sensor placement algorithm to place limited sensors at dynamically sensitive spatial locations. The major advantage of the proposed input force identification algorithm is that it does not require finite element idealization of structure unlike the earlier formulations and therefore free from physical modelling errors. We have considered three numerical examples to validate the accuracy of the proposed DPCA based method. Effects of measurement noise, multiple force identification, different kinds of loading, incomplete measurements, and high noise levels are investigated in detail. Parametric studies have been carried out to arrive at optimal window size and also the percentage of window overlap. Studies presented in this paper clearly establish the merits of the proposed algorithm for online load identification.

Parametric versus Cox's model: an illustrative analysis of divorce in Canada.

PubMed

Balakrishnan, T R; Rao, K V; Krotki, K J; Lapierre-adamcyk, E

1988-06-01

Recent demographic literature clearly recognizes the importance of survival modes in the analysis of cross-sectional event histories. Of the various survival models, Cox's (1972) partial parametric model has been very popular due to its simplicity, and readily available computer software for estimation, sometimes at the cost of precision and parsimony of the model. This paper focuses on parametric failure time models for event history analysis such as Weibell, lognormal, loglogistic, and exponential models. The authors also test the goodness of fit of these parametric models versus the Cox's proportional hazards model taking Kaplan-Meier estimate as base. As an illustration, the authors reanalyze the Canadian Fertility Survey data on 1st marriage dissolution with parametric models. Though these parametric model estimates were not very different from each other, there seemed to be a slightly better fit with loglogistic. When 8 covariates were used in the analysis, it was found that the coefficients were similar in the models, and the overall conclusions about the relative risks would not have been different. The findings reveal that in marriage dissolution, the differences according to demographic and socioeconomic characteristics may be far more important than is generally found in many studies. Therefore, one should not treat the population as homogeneous in analyzing survival probabilities of marriages, other than for cursory analysis of overall trends.

Testing of the Trim Tab Parametric Model in NASA Langley's Unitary Plan Wind Tunnel

NASA Technical Reports Server (NTRS)

Murphy, Kelly J.; Watkins, Anthony N.; Korzun, Ashley M.; Edquist, Karl T.

2013-01-01

In support of NASA's Entry, Descent, and Landing technology development efforts, testing of Langley's Trim Tab Parametric Models was conducted in Test Section 2 of NASA Langley's Unitary Plan Wind Tunnel. The objectives of these tests were to generate quantitative aerodynamic data and qualitative surface pressure data for experimental and computational validation and aerodynamic database development. Six component force-and-moment data were measured on 38 unique, blunt body trim tab configurations at Mach numbers of 2.5, 3.5, and 4.5, angles of attack from -4deg to +20deg, and angles of sideslip from 0deg to +8deg. Configuration parameters investigated in this study were forebody shape, tab area, tab cant angle, and tab aspect ratio. Pressure Sensitive Paint was used to provide qualitative surface pressure mapping for a subset of these flow and configuration variables. Over the range of parameters tested, the effects of varying tab area and tab cant angle were found to be much more significant than varying tab aspect ratio relative to key aerodynamic performance requirements. Qualitative surface pressure data supported the integrated aerodynamic data and provided information to aid in future analyses of localized phenomena for trim tab configurations.

Tropical cyclone induced asymmetry of sea level surge and fall and its presentation in a storm surge model with parametric wind fields

NASA Astrophysics Data System (ADS)

Peng, Machuan; Xie, Lian; Pietrafesa, Leonard J.

The asymmetry of tropical cyclone induced maximum coastal sea level rise (positive surge) and fall (negative surge) is studied using a three-dimensional storm surge model. It is found that the negative surge induced by offshore winds is more sensitive to wind speed and direction changes than the positive surge by onshore winds. As a result, negative surge is inherently more difficult to forecast than positive surge since there is uncertainty in tropical storm wind forecasts. The asymmetry of negative and positive surge under parametric wind forcing is more apparent in shallow water regions. For tropical cyclones with fixed central pressure, the surge asymmetry increases with decreasing storm translation speed. For those with the same translation speed, a weaker tropical cyclone is expected to gain a higher AI (asymmetry index) value though its induced maximum surge and fall are smaller. With fixed RMW (radius of maximum wind), the relationship between central pressure and AI is heterogeneous and depends on the value of RMW. Tropical cyclone's wind inflow angle can also affect surge asymmetry. A set of idealized cases as well as two historic tropical cyclones are used to illustrate the surge asymmetry.

Towards an Empirically Based Parametric Explosion Spectral Model

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

Ford, S R; Walter, W R; Ruppert, S

2009-08-31

Small underground nuclear explosions need to be confidently detected, identified, and characterized in regions of the world where they have never before been tested. The focus of our work is on the local and regional distances (< 2000 km) and phases (Pn, Pg, Sn, Lg) necessary to see small explosions. We are developing a parametric model of the nuclear explosion seismic source spectrum that is compatible with the earthquake-based geometrical spreading and attenuation models developed using the Magnitude Distance Amplitude Correction (MDAC) techniques (Walter and Taylor, 2002). The explosion parametric model will be particularly important in regions without any priormore » explosion data for calibration. The model is being developed using the available body of seismic data at local and regional distances for past nuclear explosions at foreign and domestic test sites. Parametric modeling is a simple and practical approach for widespread monitoring applications, prior to the capability to carry out fully deterministic modeling. The achievable goal of our parametric model development is to be able to predict observed local and regional distance seismic amplitudes for event identification and yield determination in regions with incomplete or no prior history of underground nuclear testing. The relationship between the parametric equations and the geologic and containment conditions will assist in our physical understanding of the nuclear explosion source.« less

Combined non-parametric and parametric approach for identification of time-variant systems

NASA Astrophysics Data System (ADS)

Dziedziech, Kajetan; Czop, Piotr; Staszewski, Wieslaw J.; Uhl, Tadeusz

2018-03-01

Identification of systems, structures and machines with variable physical parameters is a challenging task especially when time-varying vibration modes are involved. The paper proposes a new combined, two-step - i.e. non-parametric and parametric - modelling approach in order to determine time-varying vibration modes based on input-output measurements. Single-degree-of-freedom (SDOF) vibration modes from multi-degree-of-freedom (MDOF) non-parametric system representation are extracted in the first step with the use of time-frequency wavelet-based filters. The second step involves time-varying parametric representation of extracted modes with the use of recursive linear autoregressive-moving-average with exogenous inputs (ARMAX) models. The combined approach is demonstrated using system identification analysis based on the experimental mass-varying MDOF frame-like structure subjected to random excitation. The results show that the proposed combined method correctly captures the dynamics of the analysed structure, using minimum a priori information on the model.

Development of a wave-induced forcing threshold for nearshore impact of Wave Energy Converter arrays

NASA Astrophysics Data System (ADS)

O'Dea, A.; Haller, M. C.; Ozkan-Haller, H. T.

2016-02-01

Wave-induced forcing is a function of spatial gradients in the wave radiation stresses and is the main driver of alongshore currents, rip currents, and nearshore sediment transport. The installation of nearshore Wave Energy Converter (WEC) arrays may cause significant changes in the surf zone radiation stresses and could therefore impact nearshore littoral processes. In the first part of this study, a new threshold for nearshore hydrodynamic impact due to the presence of WEC devices is established based on changes in the alongshore radiation stress gradients shoreward of WEC arrays. The threshold is defined based on the relationship between nearshore radiation stresses and alongshore currents as observed in field data. Next, we perform a parametric study of the nearshore impact of WEC arrays using the SWAN wave model. Trials are conducted on an idealized, alongshore-uniform beach with a range of WEC array configurations, locations, and incident wave conditions, and conditions that generate radiation stress gradients above the impact threshold are identified. Finally, the same methodology is applied to two wave energy test sites off the coast of Newport, OR with more complicated bathymetries. Although the trends at the field sites are similar to those seen in the parametric study, the location and extent of the changes in the alongshore radiation stress gradients appear to be heavily influenced by the local bathymetry.

Incorporating parametric uncertainty into population viability analysis models

USGS Publications Warehouse

McGowan, Conor P.; Runge, Michael C.; Larson, Michael A.

2011-01-01

Uncertainty in parameter estimates from sampling variation or expert judgment can introduce substantial uncertainty into ecological predictions based on those estimates. However, in standard population viability analyses, one of the most widely used tools for managing plant, fish and wildlife populations, parametric uncertainty is often ignored in or discarded from model projections. We present a method for explicitly incorporating this source of uncertainty into population models to fully account for risk in management and decision contexts. Our method involves a two-step simulation process where parametric uncertainty is incorporated into the replication loop of the model and temporal variance is incorporated into the loop for time steps in the model. Using the piping plover, a federally threatened shorebird in the USA and Canada, as an example, we compare abundance projections and extinction probabilities from simulations that exclude and include parametric uncertainty. Although final abundance was very low for all sets of simulations, estimated extinction risk was much greater for the simulation that incorporated parametric uncertainty in the replication loop. Decisions about species conservation (e.g., listing, delisting, and jeopardy) might differ greatly depending on the treatment of parametric uncertainty in population models.

Direct Estimation of Kinetic Parametric Images for Dynamic PET

PubMed Central

Wang, Guobao; Qi, Jinyi

2013-01-01

Dynamic positron emission tomography (PET) can monitor spatiotemporal distribution of radiotracer in vivo. The spatiotemporal information can be used to estimate parametric images of radiotracer kinetics that are of physiological and biochemical interests. Direct estimation of parametric images from raw projection data allows accurate noise modeling and has been shown to offer better image quality than conventional indirect methods, which reconstruct a sequence of PET images first and then perform tracer kinetic modeling pixel-by-pixel. Direct reconstruction of parametric images has gained increasing interests with the advances in computing hardware. Many direct reconstruction algorithms have been developed for different kinetic models. In this paper we review the recent progress in the development of direct reconstruction algorithms for parametric image estimation. Algorithms for linear and nonlinear kinetic models are described and their properties are discussed. PMID:24396500

Remote recoil: a new wave mean interaction effect

NASA Astrophysics Data System (ADS)

Bühler, Oliver; McIntyre, Michael E.

2003-10-01

We present a theoretical study of a fundamentally new wave mean or wave vortex interaction effect able to force persistent, cumulative change in mean flows in the absence of wave breaking or other kinds of wave dissipation. It is associated with the refraction of non-dissipating waves by inhomogeneous mean (vortical) flows. The effect is studied in detail in the simplest relevant model, the two-dimensional compressible flow equations with a generic polytropic equation of state. This includes the usual shallow-water equations as a special case. The refraction of a narrow, slowly varying wavetrain of small-amplitude gravity or sound waves obliquely incident on a single weak (low Froude or Mach number) vortex is studied in detail. It is shown that, concomitant with the changes in the waves' pseudomomentum due to the refraction, there is an equal and opposite recoil force that is felt, in effect, by the vortex core. This effective force is called a ‘remote recoil’ to stress that there is no need for the vortex core and wavetrain to overlap in physical space. There is an accompanying ‘far-field recoil’ that is still more remote, as in classical vortex-impulse problems. The remote-recoil effects are studied perturbatively using the wave amplitude and vortex weakness as small parameters. The nature of the remote recoil is demonstrated in various set-ups with wavetrains of finite or infinite length. The effective recoil force {bm R}_V on the vortex core is given by an expression resembling the classical Magnus force felt by moving cylinders with circulation. In the case of wavetrains of infinite length, an explicit formula for the scattering angle theta_* of waves passing a vortex at a distance is derived correct to second order in Froude or Mach number. To this order {bm R}_V {~} theta_*. The formula is cross-checked against numerical integrations of the ray-tracing equations. This work is part of an ongoing study of internal-gravity-wave dynamics in the atmosphere and may be important for the development of future gravity-wave parametrization schemes in numerical models of the global atmospheric circulation. At present, all such schemes neglect remote-recoil effects caused by horizontally inhomogeneous mean flows. Taking these effects into account should make the parametrization schemes significantly more accurate.

Coupled pendula chains under parametric PT-symmetric driving force

NASA Astrophysics Data System (ADS)

Destyl, E.; Nuiro, S. P.; Pelinovsky, D. E.; Poullet, P.

2017-12-01

We consider a chain of coupled pendula pairs, where each pendulum is connected to the nearest neighbors in the longitudinal and transverse directions. The common strings in each pair are modulated periodically by an external force. In the limit of small coupling and near the 1 : 2 parametric resonance, we derive a novel system of coupled PT-symmetric discrete nonlinear Schrödinger equations, which has Hamiltonian symmetry but has no phase invariance. By using the conserved energy, we find the parameter range for the linear and nonlinear stability of the zero equilibrium. Numerical experiments illustrate how destabilization of the zero equilibrium takes place when the stability constraints are not satisfied. The central pendulum excites nearest pendula and this process continues until a dynamical equilibrium is reached where each pendulum in the chain oscillates at a finite amplitude.

Cooling optically levitated dielectric nanoparticles via parametric feedback

NASA Astrophysics Data System (ADS)

Neukirch, Levi; Rodenburg, Brandon; Bhattacharya, Mishkatul; Vamivakas, Nick

2015-05-01

The inability to leverage resonant scattering processes involving internal degrees of freedom differentiates optical cooling experiments performed with levitated dielectric nanoparticles, from similar atomic and molecular traps. Trapping in optical cavities or the application of active feedback techniques have proven to be effective ways to circumvent this limitation. We present our nanoparticle optical cooling apparatus, which is based on parametric feedback modulation of a single-beam gradient force optical trap. This scheme allows us to achieve effective center-of-mass temperatures well below 1 kelvin for our ~ 1 ×10-18 kg particles, at modest vacuum pressures. The method provides a versatile platform, with parameter tunability not found in conventional tethered nanomechanical systems. Potential applications include investigations of nonequilibrium nanoscale thermodynamics, ultra-sensitive force metrology, and mesoscale quantum mechanics and hybrid systems. Supported by the office of Naval Research award number N000141410442.

Using Multivariate Adaptive Regression Spline and Artificial Neural Network to Simulate Urbanization in Mumbai, India

NASA Astrophysics Data System (ADS)

Ahmadlou, M.; Delavar, M. R.; Tayyebi, A.; Shafizadeh-Moghadam, H.

2015-12-01

Land use change (LUC) models used for modelling urban growth are different in structure and performance. Local models divide the data into separate subsets and fit distinct models on each of the subsets. Non-parametric models are data driven and usually do not have a fixed model structure or model structure is unknown before the modelling process. On the other hand, global models perform modelling using all the available data. In addition, parametric models have a fixed structure before the modelling process and they are model driven. Since few studies have compared local non-parametric models with global parametric models, this study compares a local non-parametric model called multivariate adaptive regression spline (MARS), and a global parametric model called artificial neural network (ANN) to simulate urbanization in Mumbai, India. Both models determine the relationship between a dependent variable and multiple independent variables. We used receiver operating characteristic (ROC) to compare the power of the both models for simulating urbanization. Landsat images of 1991 (TM) and 2010 (ETM+) were used for modelling the urbanization process. The drivers considered for urbanization in this area were distance to urban areas, urban density, distance to roads, distance to water, distance to forest, distance to railway, distance to central business district, number of agricultural cells in a 7 by 7 neighbourhoods, and slope in 1991. The results showed that the area under the ROC curve for MARS and ANN was 94.77% and 95.36%, respectively. Thus, ANN performed slightly better than MARS to simulate urban areas in Mumbai, India.

On the unification of nuclear-structure theory: A response to Bortignon and Broglia

NASA Astrophysics Data System (ADS)

Cook, Norman D.

2016-09-01

Nuclear-structure theory is unusual among the diverse fields of quantum physics. Although it provides a coherent description of all known isotopes on the basis of a quantum-mechanical understanding of nucleon states, nevertheless, in the absence of a fundamental theory of the nuclear force acting between nucleons, the prediction of all ground-state and excited-state nuclear binding energies is inherently semi-empirical. I suggest that progress can be made by returning to the foundational work of Eugene Wigner from 1937, where the mathematical symmetries of nucleon states were first defined. Those symmetries were later successfully exploited in the development of the independent-particle model ( IPM ˜ shell model , but the geometrical implications noted by Wigner were neglected. Here I review how the quantum-mechanical, but remarkably easy-to-understand geometrical interpretation of the IPM provides constraints on the parametrization of the nuclear force. The proposed "geometrical IPM" indicates a way forward toward the unification of nuclear-structure theory that Bortignon and Broglia have called for.

Space shuttle: Stability and control effectiveness at high and low angles of attack and effects of variations in engine shround, fin, and drag petal configurations for the Boeing 0.008899-scale pressure-fed ballistic recoverable booster, model 979-160

NASA Technical Reports Server (NTRS)

Hanson, R. L.; Obrien, R. G.; Oiye, M. Y.; Vanderleest, S.

1972-01-01

Experimental aerodynamic investigations were carried out in the Boeing transonic and supersonic wind tunnels on a 0.008899-scale model of a proposed pressure-fed ballistic recoverable booster (BRB) configuration. The purpose of the test program was to determine the stability and control effectiveness of the basic configuration at high and low angles of attack, and to conduct parametric studies of various engine shroud, fin, and drag petal configurations. Six-component force data and base pressure data were obtained over a Mach number range of 0.35 to 4.0 at angles of attack of -5 to 25 and 55 to 85 at zero degrees sideslip and over a sideslip range of -10 to +10 at angles of attack ranging from -10 to 72.5. Two-component force data were also obtained with a fin balance on selected runs.

Numerical analysis of the transportation characteristics of a self-running sliding stage based on near-field acoustic levitation.

PubMed

Feng, Kai; Liu, Yuanyuan; Cheng, Miaomiao

2015-12-01

Owing to its distinct non-contact and oil-free characteristics, a self-running sliding stage based on near-field acoustic levitation can be used in an environment, which demands clean rooms and zero noise. This paper presents a numerical analysis on the lifting and transportation capacity of a non-contact transportation system. Two simplified structure models, namely, free vibration and force vibration models, are proposed for the study of the displacement amplitude distribution of two cases using the finite element method. After coupling the stage displacement into the film thickness, the Reynolds equation is solved by the finite difference method to obtain the lifting and thrusting forces. Parametric analyses of the effects of amplitude, frequency, and standing wave ratio (SWR) on the sliding stage dynamic performance are investigated. Numerical results show good agreement with published experimental values. The predictions also reveal that greater transportation capacity of the self-running sliding stage is generally achieved at less SWR and at higher amplitude.

Osmotic forces and gap junctions in spreading depression: a computational model

NASA Technical Reports Server (NTRS)

Shapiro, B. E.

2001-01-01

In a computational model of spreading depression (SD), ionic movement through a neuronal syncytium of cells connected by gap junctions is described electrodiffusively. Simulations predict that SD will not occur unless cells are allowed to expand in response to osmotic pressure gradients and K+ is allowed to move through gap junctions. SD waves of [K+]out approximately 25 to approximately 60 mM moving at approximately 2 to approximately 18 mm/min are predicted over the range of parametric values reported in gray matter, with extracellular space decreasing up to approximately 50%. Predicted waveform shape is qualitatively similar to laboratory reports. The delayed-rectifier, NMDA, BK, and Na+ currents are predicted to facilitate SD, while SK and A-type K+ currents and glial activity impede SD. These predictions are consonant with recent findings that gap junction poisons block SD and support the theories that cytosolic diffusion via gap junctions and osmotic forces are important mechanisms underlying SD.

A delay differential model of ENSO variability: parametric instability and the distribution of extremes

NASA Astrophysics Data System (ADS)

Zaliapin, I.; Ghil, M.; Thompson, S.

2007-12-01

We consider a Delay Differential Equation (DDE) model for El-Nino Southern Oscillation (ENSO) variability. The model combines two key mechanisms that participate in the ENSO dynamics: delayed negative feedback and seasonal forcing. Descriptive and metric stability analyses of the model are performed in a complete 3D space of its physically relevant parameters. Existence of two regimes --- stable and unstable --- is reported. The domains of the regimes are separated by a sharp neutral curve in the parameter space. The detailed structure of the neutral curve become very complicated (possibly fractal), and individual trajectories within the unstable region become highly complex (possibly chaotic) as the atmosphere-ocean coupling increases. In the unstable regime, spontaneous transitions in the mean "temperature" (i.e., thermocline depth), period, and extreme annual values occur, for purely periodic, seasonal forcing. This indicates (via the continuous dependence theorem) the existence of numerous unstable solutions responsible for the complex dynamics of the system. In the stable regime, only periodic solutions are found. Our results illustrate the role of the distinct parameters of ENSO variability, such as strength of seasonal forcing vs. atmosphere ocean coupling and propagation period of oceanic waves across the Tropical Pacific. The model reproduces, among other phenomena, the Devil's bleachers (caused by period locking) documented in other ENSO models, such as nonlinear PDEs and GCMs, as well as in certain observations. We expect such behavior in much more detailed and realistic models, where it is harder to describe its causes as completely.

Two-dimensional time dependent hurricane overwash and erosion modeling at Santa Rosa Island

USGS Publications Warehouse

McCall, R.T.; Van Theil de Vries, J. S. M.; Plant, N.G.; Van Dongeren, A. R.; Roelvink, J.A.; Thompson, D.M.; Reniers, A.J.H.M.

2010-01-01

A 2DH numerical, model which is capable of computing nearshore circulation and morphodynamics, including dune erosion, breaching and overwash, is used to simulate overwash caused by Hurricane Ivan (2004) on a barrier island. The model is forced using parametric wave and surge time series based on field data and large-scale numerical model results. The model predicted beach face and dune erosion reasonably well as well as the development of washover fans. Furthermore, the model demonstrated considerable quantitative skill (upwards of 66% of variance explained, maximum bias - 0.21 m) in hindcasting the post-storm shape and elevation of the subaerial barrier island when a sheet flow sediment transport limiter was applied. The prediction skill ranged between 0.66 and 0.77 in a series of sensitivity tests in which several hydraulic forcing parameters were varied. The sensitivity studies showed that the variations in the incident wave height and wave period affected the entire simulated island morphology while variations in the surge level gradient between the ocean and back barrier bay affected the amount of deposition on the back barrier and in the back barrier bay. The model sensitivity to the sheet flow sediment transport limiter, which served as a proxy for unknown factors controlling the resistance to erosion, was significantly greater than the sensitivity to the hydraulic forcing parameters. If no limiter was applied the simulated morphological response of the barrier island was an order of magnitude greater than the measured morphological response.

The impact of parametrized convection on cloud feedback.

PubMed

Webb, Mark J; Lock, Adrian P; Bretherton, Christopher S; Bony, Sandrine; Cole, Jason N S; Idelkadi, Abderrahmane; Kang, Sarah M; Koshiro, Tsuyoshi; Kawai, Hideaki; Ogura, Tomoo; Roehrig, Romain; Shin, Yechul; Mauritsen, Thorsten; Sherwood, Steven C; Vial, Jessica; Watanabe, Masahiro; Woelfle, Matthew D; Zhao, Ming

2015-11-13

We investigate the sensitivity of cloud feedbacks to the use of convective parametrizations by repeating the CMIP5/CFMIP-2 AMIP/AMIP + 4K uniform sea surface temperature perturbation experiments with 10 climate models which have had their convective parametrizations turned off. Previous studies have suggested that differences between parametrized convection schemes are a leading source of inter-model spread in cloud feedbacks. We find however that 'ConvOff' models with convection switched off have a similar overall range of cloud feedbacks compared with the standard configurations. Furthermore, applying a simple bias correction method to allow for differences in present-day global cloud radiative effects substantially reduces the differences between the cloud feedbacks with and without parametrized convection in the individual models. We conclude that, while parametrized convection influences the strength of the cloud feedbacks substantially in some models, other processes must also contribute substantially to the overall inter-model spread. The positive shortwave cloud feedbacks seen in the models in subtropical regimes associated with shallow clouds are still present in the ConvOff experiments. Inter-model spread in shortwave cloud feedback increases slightly in regimes associated with trade cumulus in the ConvOff experiments but is quite similar in the most stable subtropical regimes associated with stratocumulus clouds. Inter-model spread in longwave cloud feedbacks in strongly precipitating regions of the tropics is substantially reduced in the ConvOff experiments however, indicating a considerable local contribution from differences in the details of convective parametrizations. In both standard and ConvOff experiments, models with less mid-level cloud and less moist static energy near the top of the boundary layer tend to have more positive tropical cloud feedbacks. The role of non-convective processes in contributing to inter-model spread in cloud feedback is discussed. © 2015 The Authors.

The impact of parametrized convection on cloud feedback

PubMed Central

Webb, Mark J.; Lock, Adrian P.; Bretherton, Christopher S.; Bony, Sandrine; Cole, Jason N. S.; Idelkadi, Abderrahmane; Kang, Sarah M.; Koshiro, Tsuyoshi; Kawai, Hideaki; Ogura, Tomoo; Roehrig, Romain; Shin, Yechul; Mauritsen, Thorsten; Sherwood, Steven C.; Vial, Jessica; Watanabe, Masahiro; Woelfle, Matthew D.; Zhao, Ming

2015-01-01

We investigate the sensitivity of cloud feedbacks to the use of convective parametrizations by repeating the CMIP5/CFMIP-2 AMIP/AMIP + 4K uniform sea surface temperature perturbation experiments with 10 climate models which have had their convective parametrizations turned off. Previous studies have suggested that differences between parametrized convection schemes are a leading source of inter-model spread in cloud feedbacks. We find however that ‘ConvOff’ models with convection switched off have a similar overall range of cloud feedbacks compared with the standard configurations. Furthermore, applying a simple bias correction method to allow for differences in present-day global cloud radiative effects substantially reduces the differences between the cloud feedbacks with and without parametrized convection in the individual models. We conclude that, while parametrized convection influences the strength of the cloud feedbacks substantially in some models, other processes must also contribute substantially to the overall inter-model spread. The positive shortwave cloud feedbacks seen in the models in subtropical regimes associated with shallow clouds are still present in the ConvOff experiments. Inter-model spread in shortwave cloud feedback increases slightly in regimes associated with trade cumulus in the ConvOff experiments but is quite similar in the most stable subtropical regimes associated with stratocumulus clouds. Inter-model spread in longwave cloud feedbacks in strongly precipitating regions of the tropics is substantially reduced in the ConvOff experiments however, indicating a considerable local contribution from differences in the details of convective parametrizations. In both standard and ConvOff experiments, models with less mid-level cloud and less moist static energy near the top of the boundary layer tend to have more positive tropical cloud feedbacks. The role of non-convective processes in contributing to inter-model spread in cloud feedback is discussed. PMID:26438278

Development of a piezo-actuated micro-teleoperation system for cell manipulation.

PubMed

Zareinejad, M; Rezaei, S M; Abdullah, A; Shiry Ghidary, S

2009-03-01

Intracytoplasmic sperm injection (ICSI) requires long training and has low success rates, primarily due to poor control over the injection force. Making force feedback available to the operator will improve the success rate of the injection task. A macro-micro-teleoperation system bridges the gap between the task performed at the micro-level and the macroscopic movements of the operator. The teleoperation slave manipulator should accurately position a needle to precisely penetrate a cell membrane. Piezoelectric actuators are widely used in micromanipulation applications; however, hysteresis non-linearity limits the accuracy of these actuators. This paper presents a novel approach for utilizing a piezoelectric nano-stage as slave manipulator of a teleoperation system. The Prandtl-Ishlinskii (PI) model is used to model actuator hysteresis in a feedforward scheme to cancel out this non-linearity. To deal with the influence of parametric uncertainties, unmodelled dynamics and PI identification error, a perturbation term is added to the slave model and applies a sliding mode-based impedance control with perturbation estimation. The stability of entire system is guaranteed by Llewellyn's absolute stability criterion. The performance of the proposed controller was investigated through experiments for cell membrane penetration. The experimental results verified the accurate position tracking in free motion and simultaneous position and force tracking in contact with a low stiffness environment.

Critical Comparison of Biomembrane Force Fields: Protein-Lipid Interactions at the Membrane Interface.

PubMed

Sandoval-Perez, Angelica; Pluhackova, Kristyna; Böckmann, Rainer A

2017-05-09

Molecular dynamics (MD) simulations offer the possibility to study biological processes at high spatial and temporal resolution often not reachable by experiments. Corresponding biomolecular force field parameters have been developed for a wide variety of molecules ranging from inorganic ligands and small organic molecules over proteins and lipids to nucleic acids. Force fields have typically been parametrized and validated on thermodynamic observables and structural characteristics of individual compounds, e.g. of soluble proteins or lipid bilayers. Less strictly, due to the added complexity and missing experimental data to compare to, force fields have hardly been tested on the properties of mixed systems, e.g. on protein-lipid systems. Their selection and combination for mixed systems is further complicated by the partially differing parametrization strategies. Additionally, the presence of other compounds in the system may shift the subtle balance of force field parameters. Here, we assessed the protein-lipid interactions as described in the four atomistic force fields GROMOS54a7, CHARMM36 and the two force field combinations Amber14sb/Slipids and Amber14sb/Lipid14. Four observables were compared, focusing on the membrane-water interface: the conservation of the secondary structure of transmembrane proteins, the positioning of transmembrane peptides relative to the lipid bilayer, the insertion depth of side chains of unfolded peptides absorbed at the membrane interface, and the ability to reproduce experimental insertion energies of Wimley-White peptides at the membrane interface. Significant differences between the force fields were observed that affect e.g. membrane insertion depths and tilting of transmembrane peptides.

Approximate Stokes Drift Profiles and their use in Ocean Modelling

NASA Astrophysics Data System (ADS)

Breivik, Oyvind; Bidlot, Jea-Raymond; Janssen, Peter A. E. M.; Mogensen, Kristian

2016-04-01

Deep-water approximations to the Stokes drift velocity profile are explored as alternatives to the monochromatic profile. The alternative profiles investigated rely on the same two quantities required for the monochromatic profile, viz the Stokes transport and the surface Stokes drift velocity. Comparisons against parametric spectra and profiles under wave spectra from the ERA-Interim reanalysis and buoy observations reveal much better agreement than the monochromatic profile even for complex sea states. That the profiles give a closer match and a more correct shear has implications for ocean circulation models since the Coriolis-Stokes force depends on the magnitude and direction of the Stokes drift profile and Langmuir turbulence parameterizations depend sensitively on the shear of the profile. Of the two Stokes drift profiles explored here, the profile based on the Phillips spectrum is by far the best. In particular, the shear near the surface is almost identical to that influenced by the f-5 tail of spectral wave models. The NEMO general circulation ocean model was recently extended to incorporate the Stokes-Coriolis force along with two other wave-related effects. The ECWMF coupled atmosphere-wave-ocean ensemble forecast system now includes these wave effects in the ocean model component (NEMO).

High-resolution modeling of a marine ecosystem using the FRESCO hydroecological model

NASA Astrophysics Data System (ADS)

Zalesny, V. B.; Tamsalu, R.

2009-02-01

The FRESCO (Finnish Russian Estonian Cooperation) mathematical model describing a marine hydroecosystem is presented. The methodology of the numerical solution is based on the method of multicomponent splitting into physical and biological processes, spatial coordinates, etc. The model is used for the reproduction of physical and biological processes proceeding in the Baltic Sea. Numerical experiments are performed with different spatial resolutions for four marine basins that are enclosed into one another: the Baltic Sea, the Gulf of Finland, the Tallinn-Helsinki water area, and Tallinn Bay. Physical processes are described by the equations of nonhydrostatic dynamics, including the k-ω parametrization of turbulence. Biological processes are described by the three-dimensional equations of an aquatic ecosystem with the use of a size-dependent parametrization of biochemical reactions. The main goal of this study is to illustrate the efficiency of the developed numerical technique and to demonstrate the importance of a high spatial resolution for water basins that have complex bottom topography, such as the Baltic Sea. Detailed information about the atmospheric forcing, bottom topography, and coastline is very important for the description of coastal dynamics and specific features of a marine ecosystem. Experiments show that the spatial inhomogeneity of hydroecosystem fields is caused by the combined effect of upwelling, turbulent mixing, surface-wave breaking, and temperature variations, which affect biochemical reactions.

Prediction of human gait trajectories during the SSP using a neuromusculoskeletal modeling: A challenge for parametric optimization.

PubMed

Seyed, Mohammadali Rahmati; Mostafa, Rostami; Borhan, Beigzadeh

2018-04-27

The parametric optimization techniques have been widely employed to predict human gait trajectories; however, their applications to reveal the other aspects of gait are questionable. The aim of this study is to investigate whether or not the gait prediction model is able to justify the movement trajectories for the higher average velocities. A planar, seven-segment model with sixteen muscle groups was used to represent human neuro-musculoskeletal dynamics. At first, the joint angles, ground reaction forces (GRFs) and muscle activations were predicted and validated for normal average velocity (1.55 m/s) in the single support phase (SSP) by minimizing energy expenditure, which is subject to the non-linear constraints of the gait. The unconstrained system dynamics of extended inverse dynamics (USDEID) approach was used to estimate muscle activations. Then by scaling time and applying the same procedure, the movement trajectories were predicted for higher average velocities (from 2.07 m/s to 4.07 m/s) and compared to the pattern of movement with fast walking speed. The comparison indicated a high level of compatibility between the experimental and predicted results, except for the vertical position of the center of gravity (COG). It was concluded that the gait prediction model can be effectively used to predict gait trajectories for higher average velocities.

Numerical Simulation and Performance Optimization of a Magnetophoretic Bio-separation chip

NASA Astrophysics Data System (ADS)

Golozar, Matin; Darabi, Jeff; Molki, Majid

Separation of micro/nanoparticles is important in biomedicine and biotechnology. This research presents the modeling and optimization of a magnetophoretic bio-separation chip for the isolation of biomaterials, such as circulating tumor cells (CTCs) from the peripheral blood. The chip consists of a continuous flow through microfluidic channels that contains locally engineered magnetic field gradients. The high gradient magnetic field produced by the magnets is spatially non-uniform and gives rise to an attractive force on magnetic particles that move through the flow channel. The computational model takes into account the magnetic and fluidic forces as well as the effect of the volume fraction of particles on the continuous phase. The model is used to investigate the effect of two-way particle-fluid coupling on both the capture efficiency and the flow pattern in the separation chip. The results show that the microfluidic device has the capability of separating CTCs from their native environment. Additionally, a parametric study is performed to investigate the effects of the channel height, substrate thickness, magnetic bead size, bioparticle size, and the number of beads per cell on the cell separation performance.

PaLaCe: A Coarse-Grain Protein Model for Studying Mechanical Properties.

PubMed

Pasi, Marco; Lavery, Richard; Ceres, Nicoletta

2013-01-08

We present a coarse-grain protein model PaLaCe (Pasi-Lavery-Ceres) that has been developed principally to allow fast computational studies of protein mechanics and to clarify the links between mechanics and function. PaLaCe uses a two-tier protein representation with one to three pseudoatoms representing each amino acid for the main nonbonded interactions, combined with atomic-scale peptide groups and some side chain atoms to allow the explicit representation of backbone hydrogen bonds and to simplify the treatment of bonded interactions. The PaLaCe force field is composed of physics-based terms, parametrized using Boltzmann inversion of conformational probability distributions derived from a protein structure data set, and iteratively refined to reproduce the experimental distributions. PaLaCe has been implemented in the MMTK simulation package and can be used for energy minimization, normal mode calculations, and molecular or stochastic dynamics. We present simulations with PaLaCe that test its ability to maintain stable structures for folded proteins, reproduce their dynamic fluctuations, and correctly model large-scale, force-induced conformational changes.

Robust human body model injury prediction in simulated side impact crashes.

PubMed

Golman, Adam J; Danelson, Kerry A; Stitzel, Joel D

2016-01-01

This study developed a parametric methodology to robustly predict occupant injuries sustained in real-world crashes using a finite element (FE) human body model (HBM). One hundred and twenty near-side impact motor vehicle crashes were simulated over a range of parameters using a Toyota RAV4 (bullet vehicle), Ford Taurus (struck vehicle) FE models and a validated human body model (HBM) Total HUman Model for Safety (THUMS). Three bullet vehicle crash parameters (speed, location and angle) and two occupant parameters (seat position and age) were varied using a Latin hypercube design of Experiments. Four injury metrics (head injury criterion, half deflection, thoracic trauma index and pelvic force) were used to calculate injury risk. Rib fracture prediction and lung strain metrics were also analysed. As hypothesized, bullet speed had the greatest effect on each injury measure. Injury risk was reduced when bullet location was further from the B-pillar or when the bullet angle was more oblique. Age had strong correlation to rib fractures frequency and lung strain severity. The injuries from a real-world crash were predicted using two different methods by (1) subsampling the injury predictors from the 12 best crush profile matching simulations and (2) using regression models. Both injury prediction methods successfully predicted the case occupant's low risk for pelvic injury, high risk for thoracic injury, rib fractures and high lung strains with tight confidence intervals. This parametric methodology was successfully used to explore crash parameter interactions and to robustly predict real-world injuries.

Investigation of solid plume simulation criteria to produce flight plume effects on multibody configuration in wind tunnel tests

NASA Technical Reports Server (NTRS)

Frost, A. L.; Dill, C. C.

1986-01-01

An investigation to determine the sensitivity of the space shuttle base and forebody aerodynamics to the size and shape of various solid plume simulators was conducted. Families of cones of varying angle and base diameter, at various axial positions behind a Space Shuttle launch vehicle model, were wind tunnel tested. This parametric evaluation yielded base pressure and force coefficient data which indicated that solid plume simulators are an inexpensive, quick method of approximating the effect of engine exhaust plumes on the base and forebody aerodynamics of future, complex multibody launch vehicles.

GPU-based Green’s function simulations of shear waves generated by an applied acoustic radiation force in elastic and viscoelastic models

NASA Astrophysics Data System (ADS)

Yang, Yiqun; Urban, Matthew W.; McGough, Robert J.

2018-05-01

Shear wave calculations induced by an acoustic radiation force are very time-consuming on desktop computers, and high-performance graphics processing units (GPUs) achieve dramatic reductions in the computation time for these simulations. The acoustic radiation force is calculated using the fast near field method and the angular spectrum approach, and then the shear waves are calculated in parallel with Green’s functions on a GPU. This combination enables rapid evaluation of shear waves for push beams with different spatial samplings and for apertures with different f/#. Relative to shear wave simulations that evaluate the same algorithm on an Intel i7 desktop computer, a high performance nVidia GPU reduces the time required for these calculations by a factor of 45 and 700 when applied to elastic and viscoelastic shear wave simulation models, respectively. These GPU-accelerated simulations also compared to measurements in different viscoelastic phantoms, and the results are similar. For parametric evaluations and for comparisons with measured shear wave data, shear wave simulations with the Green’s function approach are ideally suited for high-performance GPUs.

Parametric Mass Modeling for Mars Entry, Descent and Landing System Analysis Study

NASA Technical Reports Server (NTRS)

Samareh, Jamshid A.; Komar, D. R.

2011-01-01

This paper provides an overview of the parametric mass models used for the Entry, Descent, and Landing Systems Analysis study conducted by NASA in FY2009-2010. The study examined eight unique exploration class architectures that included elements such as a rigid mid-L/D aeroshell, a lifting hypersonic inflatable decelerator, a drag supersonic inflatable decelerator, a lifting supersonic inflatable decelerator implemented with a skirt, and subsonic/supersonic retro-propulsion. Parametric models used in this study relate the component mass to vehicle dimensions and mission key environmental parameters such as maximum deceleration and total heat load. The use of a parametric mass model allows the simultaneous optimization of trajectory and mass sizing parameters.

Parametric Cost Models for Space Telescopes

NASA Technical Reports Server (NTRS)

Stahl, H. Philip

2010-01-01

A study is in-process to develop a multivariable parametric cost model for space telescopes. Cost and engineering parametric data has been collected on 30 different space telescopes. Statistical correlations have been developed between 19 variables of 59 variables sampled. Single Variable and Multi-Variable Cost Estimating Relationships have been developed. Results are being published.

Classical force field for hydrofluorocarbon molecular simulations. Application to the study of gas solubility in poly(vinylidene fluoride).

PubMed

Lachet, V; Teuler, J-M; Rousseau, B

2015-01-08

A classical all-atoms force field for molecular simulations of hydrofluorocarbons (HFCs) has been developed. Lennard-Jones force centers plus point charges are used to represent dispersion-repulsion and electrostatic interactions. Parametrization of this force field has been performed iteratively using three target properties of pentafluorobutane: the quantum energy of an isolated molecule, the dielectric constant in the liquid phase, and the compressed liquid density. The accuracy and transferability of this new force field has been demonstrated through the simulation of different thermophysical properties of several fluorinated compounds, showing significant improvements compared to existing models. This new force field has been applied to study solubilities of several gases in poly(vinylidene fluoride) (PVDF) above the melting temperature of this polymer. The solubility of CH4, CO2, H2S, H2, N2, O2, and H2O at infinite dilution has been computed using test particle insertions in the course of a NpT hybrid Monte Carlo simulation. For CH4, CO2, and their mixtures, some calculations beyond the Henry regime have also been performed using hybrid Monte Carlo simulations in the osmotic ensemble, allowing both swelling and solubility determination. An ideal mixing behavior is observed, with identical solubility coefficients in the mixtures and in pure gas systems.

Parametric resonance in acoustically levitated water drops

NASA Astrophysics Data System (ADS)

Shen, C. L.; Xie, W. J.; Wei, B.

2010-05-01

Liquid drops can be suspended in air with acoustic levitation method. When the sound pressure is periodically modulated, the levitated drop is usually forced into an axisymmetric oscillation. However, a transition from axisymmetric oscillation into sectorial oscillation occurs when the modulation frequency approaches some specific values. The frequency of the sectorial oscillation is almost exactly half of the modulation frequency. It is demonstrated that this transition is induced by the parametric resonance of levitated drop. The natural frequency of sectorial oscillation is found to decrease with the increase of drop distortion extent.

Zero side force volute development

NASA Technical Reports Server (NTRS)

Anderson, P. G.; Franz, R. J.; Farmer, R. C.; Chen, Y. S.

1995-01-01

Collector scrolls on high performance centrifugal pumps are currently designed with methods which are based on very approximate flowfield models. Such design practices result in some volute configurations causing excessive side loads even at design flowrates. The purpose of this study was to develop and verify computational design tools which may be used to optimize volute configurations with respect to avoiding excessive loads on the bearings. The new design methodology consisted of a volute grid generation module and a computational fluid dynamics (CFD) module to describe the volute geometry and predict the radial forces for a given flow condition, respectively. Initially, the CFD module was used to predict the impeller and the volute flowfields simultaneously; however, the required computation time was found to be excessive for parametric design studies. A second computational procedure was developed which utilized an analytical impeller flowfield model and an ordinary differential equation to describe the impeller/volute coupling obtained from the literature, Adkins & Brennen (1988). The second procedure resulted in 20 to 30 fold increase in computational speed for an analysis. The volute design analysis was validated by postulating a volute geometry, constructing a volute to this configuration, and measuring the steady radial forces over a range of flow coefficients. Excellent agreement between model predictions and observed pump operation prove the computational impeller/volute pump model to be a valuable design tool. Further applications are recommended to fully establish the benefits of this new methodology.

Local parametric instability near elliptic points in vortex flows under shear deformation

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

Koshel, Konstantin V., E-mail: kvkoshel@poi.dvo.ru; Institute of Applied Mathematics, FEB RAS, 7, Radio Street, Vladivostok 690022; Far Eastern Federal University, 8, Sukhanova Street, Vladivostok 690950

The dynamics of two point vortices embedded in an oscillatory external flow consisted of shear and rotational components is addressed. The region associated with steady-state elliptic points of the vortex motion is established to experience local parametric instability. The instability forces the point vortices with initial positions corresponding to the steady-state elliptic points to move in spiral-like divergent trajectories. This divergent motion continues until the nonlinear effects suppress their motion near the region associated with the steady-state separatrices. The local parametric instability is then demonstrated not to contribute considerably to enhancing the size of the chaotic motion regions. Instead, themore » size of the chaotic motion region mostly depends on overlaps of the nonlinear resonances emerging in the perturbed system.« less

Probing the dynamics of dark energy with divergence-free parametrizations: A global fit study

NASA Astrophysics Data System (ADS)

Li, Hong; Zhang, Xin

2011-09-01

The CPL parametrization is very important for investigating the property of dark energy with observational data. However, the CPL parametrization only respects the past evolution of dark energy but does not care about the future evolution of dark energy, since w ( z ) diverges in the distant future. In a recent paper [J.Z. Ma, X. Zhang, Phys. Lett. B 699 (2011) 233], a robust, novel parametrization for dark energy, w ( z ) = w + w ( l n ( 2 + z ) 1 + z - l n 2 ) , has been proposed, successfully avoiding the future divergence problem in the CPL parametrization. On the other hand, an oscillating parametrization (motivated by an oscillating quintom model) can also avoid the future divergence problem. In this Letter, we use the two divergence-free parametrizations to probe the dynamics of dark energy in the whole evolutionary history. In light of the data from 7-year WMAP temperature and polarization power spectra, matter power spectrum of SDSS DR7, and SN Ia Union2 sample, we perform a full Markov Chain Monte Carlo exploration for the two dynamical dark energy models. We find that the best-fit dark energy model is a quintom model with the EOS across -1 during the evolution. However, though the quintom model is more favored, we find that the cosmological constant still cannot be excluded.

Modeling personnel turnover in the parametric organization

NASA Technical Reports Server (NTRS)

Dean, Edwin B.

1991-01-01

A model is developed for simulating the dynamics of a newly formed organization, credible during all phases of organizational development. The model development process is broken down into the activities of determining the tasks required for parametric cost analysis (PCA), determining the skills required for each PCA task, determining the skills available in the applicant marketplace, determining the structure of the model, implementing the model, and testing it. The model, parameterized by the likelihood of job function transition, has demonstrated by the capability to represent the transition of personnel across functional boundaries within a parametric organization using a linear dynamical system, and the ability to predict required staffing profiles to meet functional needs at the desired time. The model can be extended by revisions of the state and transition structure to provide refinements in functional definition for the parametric and extended organization.

From 2D to 3D: Construction of a 3D Parametric Model for Detection of Dental Roots Shape and Position from a Panoramic Radiograph—A Preliminary Report

PubMed Central

Mazzotta, Laura; Cozzani, Mauro; Mutinelli, Sabrina; Castaldo, Attilio; Silvestrini-Biavati, Armando

2013-01-01

Objectives. To build a 3D parametric model to detect shape and volume of dental roots, from a panoramic radiograph (PAN) of the patient. Materials and Methods. A PAN and a cone beam computed tomography (CBCT) of a patient were acquired. For each tooth, various parameters were considered (coronal and root lengths and widths): these were measured from the CBCT and from the PAN. Measures were compared to evaluate the accuracy level of PAN measurements. By using a CAD software, parametric models of an incisor and of a molar were constructed employing B-spline curves and free-form surfaces. PAN measures of teeth 2.1 and 3.6 were assigned to the parametric models; the same two teeth were segmented from CBCT. The two models were superimposed to assess the accuracy of the parametric model. Results. PAN measures resulted to be accurate and comparable with all other measurements. From model superimposition the maximum error resulted was 1.1 mm on the incisor crown and 2 mm on the molar furcation. Conclusion. This study shows that it is possible to build a 3D parametric model starting from 2D information with a clinically valid accuracy level. This can ultimately lead to a crown-root movement simulation. PMID:23554814

Lattice model for amyloid peptides: OPEP force field parametrization and applications to the nucleus size of Alzheimer’s peptides

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

Tran, Thanh Thuy; Nguyen, Phuong H., E-mail: phuong.nguyen@ibpc.fr; Derreumaux, Philippe, E-mail: philippe.derreumaux@ibpc.fr

Coarse-grained protein lattice models approximate atomistic details and keep the essential interactions. They are, therefore, suitable for capturing generic features of protein folding and amyloid formation at low computational cost. As our aim is to study the critical nucleus sizes of two experimentally well-characterized peptide fragments Aβ{sub 16−22} and Aβ{sub 37−42} of the full length Aβ{sub 1−42} Alzheimer’s peptide, it is important that simulations with the lattice model reproduce all-atom simulations. In this study, we present a comprehensive force field parameterization based on the OPEP (Optimized Potential for Efficient protein structure Prediction) force field for an on-lattice protein model, whichmore » incorporates explicitly the formation of hydrogen bonds and directions of side-chains. Our bottom-up approach starts with the determination of the best lattice force parameters for the Aβ{sub 16−22} dimer by fitting its equilibrium parallel and anti-parallel β-sheet populations to all-atom simulation results. Surprisingly, the calibrated force field is transferable to the trimer of Aβ{sub 16−22} and the dimer and trimer of Aβ{sub 37−42}. Encouraged by this finding, we characterized the free energy landscapes of the two decamers. The dominant structure of the Aβ{sub 16−22} decamer matches the microcrystal structure. Pushing the simulations for aggregates between 4-mer and 12-mer suggests a nucleus size for fibril formation of 10 chains. In contrast, the Aβ{sub 37−42} decamer is largely disordered with mixed by parallel and antiparallel chains, suggesting that the nucleus size is >10 peptides. Our refined force field coupled to this on-lattice model should provide useful insights into the critical nucleation number associated with neurodegenerative diseases.« less

Molecular Mechanics

PubMed Central

Vanommeslaeghe, Kenno; Guvench, Olgun; MacKerell, Alexander D.

2014-01-01

Molecular Mechanics (MM) force fields are the methods of choice for protein simulations, which are essential in the study of conformational flexibility. Given the importance of protein flexibility in drug binding, MM is involved in most if not all Computational Structure-Based Drug Discovery (CSBDD) projects. This section introduces the reader to the fundamentals of MM, with a special emphasis on how the target data used in the parametrization of force fields determine their strengths and weaknesses. Variations and recent developments such as polarizable force fields are discussed. The section ends with a brief overview of common force fields in CSBDD. PMID:23947650

Comparison of thawing and freezing dark energy parametrizations

NASA Astrophysics Data System (ADS)

Pantazis, G.; Nesseris, S.; Perivolaropoulos, L.

2016-05-01

Dark energy equation of state w (z ) parametrizations with two parameters and given monotonicity are generically either convex or concave functions. This makes them suitable for fitting either freezing or thawing quintessence models but not both simultaneously. Fitting a data set based on a freezing model with an unsuitable (concave when increasing) w (z ) parametrization [like Chevallier-Polarski-Linder (CPL)] can lead to significant misleading features like crossing of the phantom divide line, incorrect w (z =0 ), incorrect slope, etc., that are not present in the underlying cosmological model. To demonstrate this fact we generate scattered cosmological data at both the level of w (z ) and the luminosity distance DL(z ) based on either thawing or freezing quintessence models and fit them using parametrizations of convex and of concave type. We then compare statistically significant features of the best fit w (z ) with actual features of the underlying model. We thus verify that the use of unsuitable parametrizations can lead to misleading conclusions. In order to avoid these problems it is important to either use both convex and concave parametrizations and select the one with the best χ2 or use principal component analysis thus splitting the redshift range into independent bins. In the latter case, however, significant information about the slope of w (z ) at high redshifts is lost. Finally, we propose a new family of parametrizations w (z )=w0+wa(z/1 +z )n which generalizes the CPL and interpolates between thawing and freezing parametrizations as the parameter n increases to values larger than 1.

SPITFIRE within the MPI Earth system model: Model development and evaluation

NASA Astrophysics Data System (ADS)

Lasslop, Gitta; Thonicke, Kirsten; Kloster, Silvia

2014-09-01

Quantification of the role of fire within the Earth system requires an adequate representation of fire as a climate-controlled process within an Earth system model. To be able to address questions on the interaction between fire and the Earth system, we implemented the mechanistic fire model SPITFIRE, in JSBACH, the land surface model of the MPI Earth system model. Here, we document the model implementation as well as model modifications. We evaluate our model results by comparing the simulation to the GFED version 3 satellite-based data set. In addition, we assess the sensitivity of the model to the meteorological forcing and to the spatial variability of a number of fire relevant model parameters. A first comparison of model results with burned area observations showed a strong correlation of the residuals with wind speed. Further analysis revealed that the response of the fire spread to wind speed was too strong for the application on global scale. Therefore, we developed an improved parametrization to account for this effect. The evaluation of the improved model shows that the model is able to capture the global gradients and the seasonality of burned area. Some areas of model-data mismatch can be explained by differences in vegetation cover compared to observations. We achieve benchmarking scores comparable to other state-of-the-art fire models. The global total burned area is sensitive to the meteorological forcing. Adjustment of parameters leads to similar model results for both forcing data sets with respect to spatial and seasonal patterns. This article was corrected on 29 SEP 2014. See the end of the full text for details.

Nation-scale adoption of new medicines by doctors: an application of the Bass diffusion model

PubMed Central

2012-01-01

Background The adoption of new medicines is influenced by a complex set of social processes that have been widely examined in terms of individual prescribers’ information-seeking and decision-making behaviour. However, quantitative, population-wide analyses of how long it takes for new healthcare practices to become part of mainstream practice are rare. Methods We applied a Bass diffusion model to monthly prescription volumes of 103 often-prescribed drugs in Australia (monthly time series data totalling 803 million prescriptions between 1992 and 2010), to determine the distribution of adoption rates. Our aim was to test the utility of applying the Bass diffusion model to national-scale prescribing volumes. Results The Bass diffusion model was fitted to the adoption of a broad cross-section of drugs using national monthly prescription volumes from Australia (median R2 = 0.97, interquartile range 0.95 to 0.99). The median time to adoption was 8.2 years (IQR 4.9 to 12.1). The model distinguished two classes of prescribing patterns – those where adoption appeared to be driven mostly by external forces (19 drugs) and those driven mostly by social contagion (84 drugs). Those driven more prominently by internal forces were found to have shorter adoption times (p = 0.02 in a non-parametric analysis of variance by ranks). Conclusion The Bass diffusion model may be used to retrospectively represent the patterns of adoption exhibited in prescription volumes in Australia, and distinguishes between adoption driven primarily by external forces such as regulation, or internal forces such as social contagion. The eight-year delay between the introduction of a new medicine and the adoption of the prescribing practice suggests the presence of system inertia in Australian prescribing practices. PMID:22876867

Intercomparison of oceanic and atmospheric forced and coupled mesoscale simulations. Part I: Surface fluxes

NASA Astrophysics Data System (ADS)

Josse, P.; Caniaux, G.; Giordani, H.; Planton, S.

1999-04-01

A mesoscale non-hydrostatic atmospheric model has been coupled with a mesoscale oceanic model. The case study is a four-day simulation of a strong storm event observed during the SEMAPHORE experiment over a 500 × 500 km2 domain. This domain encompasses a thermohaline front associated with the Azores current. In order to analyze the effect of mesoscale coupling, three simulations are compared: the first one with the atmospheric model forced by realistic sea surface temperature analyses; the second one with the ocean model forced by atmospheric fields, derived from weather forecast re-analyses; the third one with the models being coupled. For these three simulations the surface fluxes were computed with the same bulk parametrization. All three simulations succeed well in representing the main oceanic or atmospheric features observed during the storm. Comparison of surface fields with in situ observations reveals that the winds of the fine mesh atmospheric model are more realistic than those of the weather forecast re-analyses. The low-level winds simulated with the atmospheric model in the forced and coupled simulations are appreciably stronger than the re-analyzed winds. They also generate stronger fluxes. The coupled simulation has the strongest surface heat fluxes: the difference in the net heat budget with the oceanic forced simulation reaches on average 50 Wm-2 over the simulation period. Sea surface-temperature cooling is too weak in both simulations, but is improved in the coupled run and matches better the cooling observed with drifters. The spatial distributions of sea surface-temperature cooling and surface fluxes are strongly inhomogeneous over the simulation domain. The amplitude of the flux variation is maximum in the coupled run. Moreover the weak correlation between the cooling and heat flux patterns indicates that the surface fluxes are not responsible for the whole cooling and suggests that the response of the ocean mixed layer to the atmosphere is highly non-local and enhanced in the coupled simulation.

Coupled Finite Element ? Potts Model Simulations of Grain Growth in Copper Interconnects

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

Radhakrishnan, Balasubramaniam; Gorti, Sarma B

The paper addresses grain growth in copper interconnects in the presence of thermal expansion mismatch stresses. The evolution of grain structure and texture in copper in the simultaneous presence of two driving forces, curvature and elastic stored energy difference, is modeled by using a hybrid Potts model simulation approach. The elastic stored energy is calculated by using the commercial finite element code ABAQUS, where the effect of elastic anisotropy on the thermal mismatch stress and strain distribution within a polycrystalline grain structure is modeled through a user material (UMAT) interface. Parametric studies on the effect of trench width and themore » height of the overburden were carried out. The results show that the grain structure and texture evolution are significantly altered by the presence of elastic strain energy.« less

CHARMM additive and polarizable force fields for biophysics and computer-aided drug design.

PubMed

Vanommeslaeghe, K; MacKerell, A D

2015-05-01

Molecular Mechanics (MM) is the method of choice for computational studies of biomolecular systems owing to its modest computational cost, which makes it possible to routinely perform molecular dynamics (MD) simulations on chemical systems of biophysical and biomedical relevance. As one of the main factors limiting the accuracy of MD results is the empirical force field used, the present paper offers a review of recent developments in the CHARMM additive force field, one of the most popular biomolecular force fields. Additionally, we present a detailed discussion of the CHARMM Drude polarizable force field, anticipating a growth in the importance and utilization of polarizable force fields in the near future. Throughout the discussion emphasis is placed on the force fields' parametrization philosophy and methodology. Recent improvements in the CHARMM additive force field are mostly related to newly found weaknesses in the previous generation of additive force fields. Beyond the additive approximation is the newly available CHARMM Drude polarizable force field, which allows for MD simulations of up to 1μs on proteins, DNA, lipids and carbohydrates. Addressing the limitations ensures the reliability of the new CHARMM36 additive force field for the types of calculations that are presently coming into routine computational reach while the availability of the Drude polarizable force fields offers an inherently more accurate model of the underlying physical forces driving macromolecular structures and dynamics. This article is part of a Special Issue entitled "Recent developments of molecular dynamics". Copyright © 2014 Elsevier B.V. All rights reserved.

Biogeochemical modelling of dissolved oxygen in a changing ocean.

PubMed

Andrews, Oliver; Buitenhuis, Erik; Le Quéré, Corinne; Suntharalingam, Parvadha

2017-09-13

Secular decreases in dissolved oxygen concentration have been observed within the tropical oxygen minimum zones (OMZs) and at mid- to high latitudes over the last approximately 50 years. Earth system model projections indicate that a reduction in the oxygen inventory of the global ocean, termed ocean deoxygenation, is a likely consequence of on-going anthropogenic warming. Current models are, however, unable to consistently reproduce the observed trends and variability of recent decades, particularly within the established tropical OMZs. Here, we conduct a series of targeted hindcast model simulations using a state-of-the-art global ocean biogeochemistry model in order to explore and review biases in model distributions of oceanic oxygen. We show that the largest magnitude of uncertainty is entrained into ocean oxygen response patterns due to model parametrization of p CO 2 -sensitive C : N ratios in carbon fixation and imposed atmospheric forcing data. Inclusion of a p CO 2 -sensitive C : N ratio drives historical oxygen depletion within the ocean interior due to increased organic carbon export and subsequent remineralization. Atmospheric forcing is shown to influence simulated interannual variability in ocean oxygen, particularly due to differences in imposed variability of wind stress and heat fluxes.This article is part of the themed issue 'Ocean ventilation and deoxygenation in a warming world'. © 2017 The Author(s).

Biogeochemical modelling of dissolved oxygen in a changing ocean

NASA Astrophysics Data System (ADS)

Andrews, Oliver; Buitenhuis, Erik; Le Quéré, Corinne; Suntharalingam, Parvadha

2017-08-01

Secular decreases in dissolved oxygen concentration have been observed within the tropical oxygen minimum zones (OMZs) and at mid- to high latitudes over the last approximately 50 years. Earth system model projections indicate that a reduction in the oxygen inventory of the global ocean, termed ocean deoxygenation, is a likely consequence of on-going anthropogenic warming. Current models are, however, unable to consistently reproduce the observed trends and variability of recent decades, particularly within the established tropical OMZs. Here, we conduct a series of targeted hindcast model simulations using a state-of-the-art global ocean biogeochemistry model in order to explore and review biases in model distributions of oceanic oxygen. We show that the largest magnitude of uncertainty is entrained into ocean oxygen response patterns due to model parametrization of pCO2-sensitive C : N ratios in carbon fixation and imposed atmospheric forcing data. Inclusion of a pCO2-sensitive C : N ratio drives historical oxygen depletion within the ocean interior due to increased organic carbon export and subsequent remineralization. Atmospheric forcing is shown to influence simulated interannual variability in ocean oxygen, particularly due to differences in imposed variability of wind stress and heat fluxes. This article is part of the themed issue 'Ocean ventilation and deoxygenation in a warming world'.

Electric-car simulation

NASA Technical Reports Server (NTRS)

Chapman, C. P.; Slusser, R. A.

1980-01-01

PARAMET, interactive simulation program for parametric studies of electric vehicles, guides user through simulation by menu and series of prompts for input parameters. Program considers aerodynamic drag, rolling resistance, linear and rotational acceleration, and road gradient as forces acting on vehicle.

Parametric models of reflectance spectra for dyed fabrics

NASA Astrophysics Data System (ADS)

Aiken, Daniel C.; Ramsey, Scott; Mayo, Troy; Lambrakos, Samuel G.; Peak, Joseph

2016-05-01

This study examines parametric modeling of NIR reflectivity spectra for dyed fabrics, which provides for both their inverse and direct modeling. The dye considered for prototype analysis is triarylamine dye. The fabrics considered are camouflage textiles characterized by color variations. The results of this study provide validation of the constructed parametric models, within reasonable error tolerances for practical applications, including NIR spectral characteristics in camouflage textiles, for purposes of simulating NIR spectra corresponding to various dye concentrations in host fabrics, and potentially to mixtures of dyes.

Laboratory modeling of edge wave generation over a plane beach by breaking waves

NASA Astrophysics Data System (ADS)

Abcha, Nizar; Ezersky, Alexander; Pelinovsky, Efim

2015-04-01

Edge waves play an important role in coastal hydrodynamics: in sediment transport, in formation of coastline structure and coastal bottom topography. Investigation of physical mechanisms leading to the edge waves generation allows us to determine their effect on the characteristics of spatially periodic patterns like crescent submarine bars and cusps observed in the coastal zone. In the present paper we investigate parametric excitation of edge wave with frequency two times less than the frequency of surface wave propagating perpendicular to the beach. Such mechanism of edge wave generation has been studied previously in a large number of papers using the assumption of non-breaking waves. This assumption was used in theoretical calculations and such conditions were created in laboratory experiments. In the natural conditions, the wave breaking is typical when edge waves are generated at sea beach. We study features of such processes in laboratory experiments. Experiments were performed in the wave flume of the Laboratory of Continental and Coast Morphodynamics (M2C), Caen. The flume is equipment with a wave maker controlled by computer. To model a plane beach, a PVC plate is placed at small angle to the horizontal bottom. Several resistive probes were used to measure characteristics of waves: one of them was used to measure free surface displacement near the wave maker and two probes were glued on the inclined plate. These probes allowed us to measure run-up due to parametrically excited edge waves. Run-up height is determined by processing a movie shot by high-speed camera. Sub-harmonic generation of standing edge waves is observed for definite control parameters: edge waves represent themselves a spatial mode with wavelength equal to double width of the flume; the frequency of edge wave is equal to half of surface wave frequency. Appearance of sub-harmonic mode instability is studied using probes and movie processing. The dependence of edge wave exponential growth rate index on the amplitude of surface wave is found. On the plane of parameters (amplitude - frequency) of surface wave we have found a region corresponding parametric instability leading to excitation of edge waves. It is shown that for small super criticalities, the amplitude of edge wave grows with amplitude of surface wave. For large amplitude of surface wave, wave breaking appears and parametric instability is suppressed. Such suppression of instability is caused by increasing of turbulent viscosity in near shore zone. It was shown that parametric excitation of edge wave can increase significantly (up to two times) the maximal run-up. Theoretical model is developed to explain suppression of instability due to turbulent viscosity. This theoretical model is based on nonlinear mode amplitude equation including terms responsible for parametric forcing, frequency detuning, nonlinear detuning, linear and nonlinear edge wave damping. Dependence of coefficients on turbulent viscosity is discussed.

Mapping the Chevallier-Polarski-Linder parametrization onto physical dark energy Models

NASA Astrophysics Data System (ADS)

Scherrer, Robert J.

2015-08-01

We examine the Chevallier-Polarski-Linder (CPL) parametrization, in the context of quintessence and barotropic dark energy models, to determine the subset of such models to which it can provide a good fit. The CPL parametrization gives the equation of state parameter w for the dark energy as a linear function of the scale factor a , namely w =w0+wa(1 -a ). In the case of quintessence models, we find that over most of the w0, wa parameter space the CPL parametrization maps onto a fairly narrow form of behavior for the potential V (ϕ ), while a one-dimensional subset of parameter space, for which wa=κ (1 +w0) , with κ constant, corresponds to a wide range of functional forms for V (ϕ ). For barotropic models, we show that the functional dependence of the pressure on the density, up to a multiplicative constant, depends only on wi=wa+w0 and not on w0 and wa separately. Our results suggest that the CPL parametrization may not be optimal for testing either type of model.

A nonadditive methanol force field: Bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model

NASA Astrophysics Data System (ADS)

Patel, Sandeep; Brooks, Charles L.

2005-01-01

We study the bulk and interfacial properties of methanol via molecular dynamics simulations using a CHARMM (Chemistry at HARvard Molecular Mechanics) fluctuating charge force field. We discuss the parametrization of the electrostatic model as part of the ongoing CHARMM development for polarizable protein force fields. The bulk liquid properties are in agreement with available experimental data and competitive with existing fixed-charge and polarizable force fields. The liquid density and vaporization enthalpy are determined to be 0.809 g/cm3 and 8.9 kcal/mol compared to the experimental values of 0.787 g/cm3 and 8.94 kcal/mol, respectively. The liquid structure as indicated by radial distribution functions is in keeping with the most recent neutron diffraction results; the force field shows a slightly more ordered liquid, necessarily arising from the enhanced condensed phase electrostatics (as evidenced by an induced liquid phase dipole moment of 0.7 D), although the average coordination with two neighboring molecules is consistent with the experimental diffraction study as well as with recent density functional molecular dynamics calculations. The predicted surface tension of 19.66±1.03 dyn/cm is slightly lower than the experimental value of 22.6 dyn/cm, but still competitive with classical force fields. The interface demonstrates the preferential molecular orientation of molecules as observed via nonlinear optical spectroscopic methods. Finally, via canonical molecular dynamics simulations, we assess the model's ability to reproduce the vapor-liquid equilibrium from 298 to 423 K, the simulation data then used to obtain estimates of the model's critical temperature and density. The model predicts a critical temperature of 470.1 K and critical density of 0.312 g/cm3 compared to the experimental values of 512.65 K and 0.279 g/cm3, respectively. The model underestimates the critical temperature by 8% and overestimates the critical density by 10%, and in this sense is roughly equivalent to the underlying fixed-charge CHARMM22 force field.

A general framework for parametric survival analysis.

PubMed

Crowther, Michael J; Lambert, Paul C

2014-12-30

Parametric survival models are being increasingly used as an alternative to the Cox model in biomedical research. Through direct modelling of the baseline hazard function, we can gain greater understanding of the risk profile of patients over time, obtaining absolute measures of risk. Commonly used parametric survival models, such as the Weibull, make restrictive assumptions of the baseline hazard function, such as monotonicity, which is often violated in clinical datasets. In this article, we extend the general framework of parametric survival models proposed by Crowther and Lambert (Journal of Statistical Software 53:12, 2013), to incorporate relative survival, and robust and cluster robust standard errors. We describe the general framework through three applications to clinical datasets, in particular, illustrating the use of restricted cubic splines, modelled on the log hazard scale, to provide a highly flexible survival modelling framework. Through the use of restricted cubic splines, we can derive the cumulative hazard function analytically beyond the boundary knots, resulting in a combined analytic/numerical approach, which substantially improves the estimation process compared with only using numerical integration. User-friendly Stata software is provided, which significantly extends parametric survival models available in standard software. Copyright © 2014 John Wiley & Sons, Ltd.

flexsurv: A Platform for Parametric Survival Modeling in R

PubMed Central

Jackson, Christopher H.

2018-01-01

flexsurv is an R package for fully-parametric modeling of survival data. Any parametric time-to-event distribution may be fitted if the user supplies a probability density or hazard function, and ideally also their cumulative versions. Standard survival distributions are built in, including the three and four-parameter generalized gamma and F distributions. Any parameter of any distribution can be modeled as a linear or log-linear function of covariates. The package also includes the spline model of Royston and Parmar (2002), in which both baseline survival and covariate effects can be arbitrarily flexible parametric functions of time. The main model-fitting function, flexsurvreg, uses the familiar syntax of survreg from the standard survival package (Therneau 2016). Censoring or left-truncation are specified in ‘Surv’ objects. The models are fitted by maximizing the full log-likelihood, and estimates and confidence intervals for any function of the model parameters can be printed or plotted. flexsurv also provides functions for fitting and predicting from fully-parametric multi-state models, and connects with the mstate package (de Wreede, Fiocco, and Putter 2011). This article explains the methods and design principles of the package, giving several worked examples of its use. PMID:29593450

Variations of characteristic time scales in rotating stratified turbulence using a large parametric numerical study.

PubMed

Rosenberg, D; Marino, R; Herbert, C; Pouquet, A

2016-01-01

We study rotating stratified turbulence (RST) making use of numerical data stemming from a large parametric study varying the Reynolds, Froude and Rossby numbers, Re, Fr and Ro in a broad range of values. The computations are performed using periodic boundary conditions on grids of 1024(3) points, with no modeling of the small scales, no forcing and with large-scale random initial conditions for the velocity field only, and there are altogether 65 runs analyzed in this paper. The buoyancy Reynolds number defined as R(B) = ReFr2 varies from negligible values to ≈ 10(5), approaching atmospheric or oceanic regimes. This preliminary analysis deals with the variation of characteristic time scales of RST with dimensionless parameters, focusing on the role played by the partition of energy between the kinetic and potential modes, as a key ingredient for modeling the dynamics of such flows. We find that neither rotation nor the ratio of the Brunt-Väisälä frequency to the inertial frequency seem to play a major role in the absence of forcing in the global dynamics of the small-scale kinetic and potential modes. Specifically, in these computations, mostly in regimes of wave turbulence, characteristic times based on the ratio of energy to dissipation of the velocity and temperature fluctuations, T(V) and T(P), vary substantially with parameters. Their ratio γ=T(V)/T(P) follows roughly a bell-shaped curve in terms of Richardson number Ri. It reaches a plateau - on which time scales become comparable, γ≈0.6 - when the turbulence has significantly strengthened, leading to numerous destabilization events together with a tendency towards an isotropization of the flow.

Interaction between a railway track and uniformly moving tandem wheels

NASA Astrophysics Data System (ADS)

Belotserkovskiy, P. M.

2006-12-01

Interaction among loaded wheels via railway track is studied. The vertical parametric oscillations of an infinite row of identical equally spaced wheels, bearing constant load and uniformly moving over a railway track, are calculated by means of Fourier series technique. If the distance between two consecutive wheels is big enough, then one can disregard their interaction via the railway track and consider every wheel as a single one. In this case, however, the Fourier series technique represents an appropriate computation time-saving approximation to a Fourier integral transformation technique that describes the oscillations of a single moving wheel. Two schemes are considered. In the first scheme, every wheel bears the same load. In the second one, consecutive wheels bear contrarily directed loads of the same magnitude. The second scheme leads to simpler calculations and so is recommended to model the wheel-track interaction. The railway track periodicity due to sleeper spacing is taken into account. Each period is the track segment between two adjacent sleepers. A partial differential equation with constant coefficients governs the vertical oscillations of each segment. Boundary conditions bind the oscillations of two neighbour segments and provide periodicity to the track. The shear deformation in the rail cross-section strongly influences the parametric oscillations. It also causes discontinuity of the rail centre-line slope at any point, where a concentrated transverse force is applied. Therefore, Timoshenko beam properties with respect to the topic of this paper are discussed. Interaction between a railway track and a bogie moving at moderate speed is studied. The study points to influence of the bogie frame oscillations on variation in the wheel-rail contact force over the sleeper span. The simplified bogie model considered includes only the primary suspension. A static load applied to the bogie frame centre presents the vehicle body.

Model risk for European-style stock index options.

PubMed

Gençay, Ramazan; Gibson, Rajna

2007-01-01

In empirical modeling, there have been two strands for pricing in the options literature, namely the parametric and nonparametric models. Often, the support for the nonparametric methods is based on a benchmark such as the Black-Scholes (BS) model with constant volatility. In this paper, we study the stochastic volatility (SV) and stochastic volatility random jump (SVJ) models as parametric benchmarks against feedforward neural network (FNN) models, a class of neural network models. Our choice for FNN models is due to their well-studied universal approximation properties of an unknown function and its partial derivatives. Since the partial derivatives of an option pricing formula are risk pricing tools, an accurate estimation of the unknown option pricing function is essential for pricing and hedging. Our findings indicate that FNN models offer themselves as robust option pricing tools, over their sophisticated parametric counterparts in predictive settings. There are two routes to explain the superiority of FNN models over the parametric models in forecast settings. These are nonnormality of return distributions and adaptive learning.

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

Influence of Tension Stiffening on the Flexural Stiffness of Reinforced Concrete Circular Sections

PubMed Central

Morelli, Francesco; Amico, Cosimo; Salvatore, Walter; Squeglia, Nunziante; Stacul, Stefano

2017-01-01

Within this paper, the assessment of tension stiffening effects on a reinforced concrete element with circular section subjected to axial and bending loads is presented. To this purpose, an enhancement of an analytical model already present within the actual technical literature is proposed. The accuracy of the enhanced method is assessed by comparing the experimental results carried out in past research and the numerical ones obtained by the model. Finally, a parametric study is executed in order to study the influence of axial compressive force on the flexural stiffness of reinforced concrete elements that are characterized by a circular section, comparing the secant stiffness evaluated at yielding and at maximum resistance, considering and not considering the effects of tension stiffness. PMID:28773028

Influence of Tension Stiffening on the Flexural Stiffness of Reinforced Concrete Circular Sections.

PubMed

Morelli, Francesco; Amico, Cosimo; Salvatore, Walter; Squeglia, Nunziante; Stacul, Stefano

2017-06-18

Within this paper, the assessment of tension stiffening effects on a reinforced concrete element with the circular sections subjected to axial and bending loads is presented. To this purpose, an enhancement of an analytical model already present within the actual technical literature is proposed. The accuracy of the enhanced method is assessed by comparing the experimental results carried out in past research and the numerical ones obtained by the model. Finally, a parametric study is executed in order to study the influence of axial compressive force on the flexural stiffness of reinforced concrete elements that are characterized by a circular section, comparing the secant stiffness evaluated at yielding and at maximum resistance, considering and not considering the effects of tension stiffness.

Model Comparison of Bayesian Semiparametric and Parametric Structural Equation Models

ERIC Educational Resources Information Center

Song, Xin-Yuan; Xia, Ye-Mao; Pan, Jun-Hao; Lee, Sik-Yum

2011-01-01

Structural equation models have wide applications. One of the most important issues in analyzing structural equation models is model comparison. This article proposes a Bayesian model comparison statistic, namely the "L[subscript nu]"-measure for both semiparametric and parametric structural equation models. For illustration purposes, we consider…

Dynamic balancing of super-critical rotating structures using slow-speed data via parametric excitation

NASA Astrophysics Data System (ADS)

Tresser, Shachar; Dolev, Amit; Bucher, Izhak

2018-02-01

High-speed machinery is often designed to pass several "critical speeds", where vibration levels can be very high. To reduce vibrations, rotors usually undergo a mass balancing process, where the machine is rotated at its full speed range, during which the dynamic response near critical speeds can be measured. High sensitivity, which is required for a successful balancing process, is achieved near the critical speeds, where a single deflection mode shape becomes dominant, and is excited by the projection of the imbalance on it. The requirement to rotate the machine at high speeds is an obstacle in many cases, where it is impossible to perform measurements at high speeds, due to harsh conditions such as high temperatures and inaccessibility (e.g., jet engines). This paper proposes a novel balancing method of flexible rotors, which does not require the machine to be rotated at high speeds. With this method, the rotor is spun at low speeds, while subjecting it to a set of externally controlled forces. The external forces comprise a set of tuned, response dependent, parametric excitations, and nonlinear stiffness terms. The parametric excitation can isolate any desired mode, while keeping the response directly linked to the imbalance. A software controlled nonlinear stiffness term limits the response, hence preventing the rotor to become unstable. These forces warrant sufficient sensitivity required to detect the projection of the imbalance on any desired mode without rotating the machine at high speeds. Analytical, numerical and experimental results are shown to validate and demonstrate the method.

An investigation of transition boiling mechanisms of subcooled water under forced convective conditions

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

Kwang-Won, Lee; Sang-Yong, Lee

1995-09-01

A mechanistic model for forced convective transition boiling has been developed to investigate transition boiling mechanisms and to predict transition boiling heat flux realistically. This model is based on a postulated multi-stage boiling process occurring during the passage time of the elongated vapor blanket specified at a critical heat flux (CHF) condition. Between the departure from nucleate boiling (DNB) and the departure from film boiling (DFB) points, the boiling heat transfer is established through three boiling stages, namely, the macrolayer evaporation and dryout governed by nucleate boiling in a thin liquid film and the unstable film boiling characterized by themore » frequent touches of the interface and the heated wall. The total heat transfer rates after the DNB is weighted by the time fractions of each stage, which are defined as the ratio of each stage duration to the vapor blanket passage time. The model predictions are compared with some available experimental transition boiling data. The parametric effects of pressure, mass flux, inlet subcooling on the transition boiling heat transfer are also investigated. From these comparisons, it can be seen that this model can identify the crucial mechanisms of forced convective transition boiling, and that the transition boiling heat fluxes including the maximum heat flux and the minimum film boiling heat flux are well predicted at low qualities/high pressures near 10 bar. In future, this model will be improved in the unstable film boiling stage and generalized for high quality and low pressure situations.« less

Comparing of Cox model and parametric models in analysis of effective factors on event time of neuropathy in patients with type 2 diabetes.

PubMed

Kargarian-Marvasti, Sadegh; Rimaz, Shahnaz; Abolghasemi, Jamileh; Heydari, Iraj

2017-01-01

Cox proportional hazard model is the most common method for analyzing the effects of several variables on survival time. However, under certain circumstances, parametric models give more precise estimates to analyze survival data than Cox. The purpose of this study was to investigate the comparative performance of Cox and parametric models in a survival analysis of factors affecting the event time of neuropathy in patients with type 2 diabetes. This study included 371 patients with type 2 diabetes without neuropathy who were registered at Fereydunshahr diabetes clinic. Subjects were followed up for the development of neuropathy between 2006 to March 2016. To investigate the factors influencing the event time of neuropathy, significant variables in univariate model ( P < 0.20) were entered into the multivariate Cox and parametric models ( P < 0.05). In addition, Akaike information criterion (AIC) and area under ROC curves were used to evaluate the relative goodness of fitted model and the efficiency of each procedure, respectively. Statistical computing was performed using R software version 3.2.3 (UNIX platforms, Windows and MacOS). Using Kaplan-Meier, survival time of neuropathy was computed 76.6 ± 5 months after initial diagnosis of diabetes. After multivariate analysis of Cox and parametric models, ethnicity, high-density lipoprotein and family history of diabetes were identified as predictors of event time of neuropathy ( P < 0.05). According to AIC, "log-normal" model with the lowest Akaike's was the best-fitted model among Cox and parametric models. According to the results of comparison of survival receiver operating characteristics curves, log-normal model was considered as the most efficient and fitted model.

Thermal Ablation Modeling for Silicate Materials

NASA Technical Reports Server (NTRS)

Chen, Yih-Kanq

2016-01-01

A thermal ablation model for silicates is proposed. The model includes the mass losses through the balance between evaporation and condensation, and through the moving molten layer driven by surface shear force and pressure gradient. This model can be applied in ablation simulations of the meteoroid or glassy Thermal Protection Systems for spacecraft. Time-dependent axi-symmetric computations are performed by coupling the fluid dynamics code, Data-Parallel Line Relaxation program, with the material response code, Two-dimensional Implicit Thermal Ablation simulation program, to predict the mass lost rates and shape change. For model validation, the surface recession of fused amorphous quartz rod is computed, and the recession predictions reasonably agree with available data. The present parametric studies for two groups of meteoroid earth entry conditions indicate that the mass loss through moving molten layer is negligibly small for heat-flux conditions at around 1 MW/cm(exp. 2).

Parametrically Guided Generalized Additive Models with Application to Mergers and Acquisitions Data

PubMed Central

Fan, Jianqing; Maity, Arnab; Wang, Yihui; Wu, Yichao

2012-01-01

Generalized nonparametric additive models present a flexible way to evaluate the effects of several covariates on a general outcome of interest via a link function. In this modeling framework, one assumes that the effect of each of the covariates is nonparametric and additive. However, in practice, often there is prior information available about the shape of the regression functions, possibly from pilot studies or exploratory analysis. In this paper, we consider such situations and propose an estimation procedure where the prior information is used as a parametric guide to fit the additive model. Specifically, we first posit a parametric family for each of the regression functions using the prior information (parametric guides). After removing these parametric trends, we then estimate the remainder of the nonparametric functions using a nonparametric generalized additive model, and form the final estimates by adding back the parametric trend. We investigate the asymptotic properties of the estimates and show that when a good guide is chosen, the asymptotic variance of the estimates can be reduced significantly while keeping the asymptotic variance same as the unguided estimator. We observe the performance of our method via a simulation study and demonstrate our method by applying to a real data set on mergers and acquisitions. PMID:23645976

Parametrically Guided Generalized Additive Models with Application to Mergers and Acquisitions Data.

PubMed

Fan, Jianqing; Maity, Arnab; Wang, Yihui; Wu, Yichao

2013-01-01

Generalized nonparametric additive models present a flexible way to evaluate the effects of several covariates on a general outcome of interest via a link function. In this modeling framework, one assumes that the effect of each of the covariates is nonparametric and additive. However, in practice, often there is prior information available about the shape of the regression functions, possibly from pilot studies or exploratory analysis. In this paper, we consider such situations and propose an estimation procedure where the prior information is used as a parametric guide to fit the additive model. Specifically, we first posit a parametric family for each of the regression functions using the prior information (parametric guides). After removing these parametric trends, we then estimate the remainder of the nonparametric functions using a nonparametric generalized additive model, and form the final estimates by adding back the parametric trend. We investigate the asymptotic properties of the estimates and show that when a good guide is chosen, the asymptotic variance of the estimates can be reduced significantly while keeping the asymptotic variance same as the unguided estimator. We observe the performance of our method via a simulation study and demonstrate our method by applying to a real data set on mergers and acquisitions.

Rolling Process Modeling Report. Finite-Element Model Validation and Parametric Study on various Rolling Process parameters

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

Soulami, Ayoub; Lavender, Curt A.; Paxton, Dean M.

2015-06-15

Pacific Northwest National Laboratory (PNNL) has been investigating manufacturing processes for the uranium-10% molybdenum alloy plate-type fuel for high-performance research reactors in the United States. This work supports the U.S. Department of Energy National Nuclear Security Administration’s Office of Material Management and Minimization Reactor Conversion Program. This report documents modeling results of PNNL’s efforts to perform finite-element simulations to predict roll-separating forces for various rolling mill geometries for PNNL, Babcock & Wilcox Co., Y-12 National Security Complex, Los Alamos National Laboratory, and Idaho National Laboratory. The model developed and presented in a previous report has been subjected to further validationmore » study using new sets of experimental data generated from a rolling mill at PNNL. Simulation results of both hot rolling and cold rolling of uranium-10% molybdenum coupons have been compared with experimental results. The model was used to predict roll-separating forces at different temperatures and reductions for five rolling mills within the National Nuclear Security Administration Fuel Fabrication Capability project. This report also presents initial results of a finite-element model microstructure-based approach to study the surface roughness at the interface between zirconium and uranium-10% molybdenum.« less

BaHigh-force magnetic tweezers with force feedback for biological applications

NASA Astrophysics Data System (ADS)

Kollmannsberger, Philip; Fabry, Ben

2007-11-01

Magnetic micromanipulation using magnetic tweezers is a versatile biophysical technique and has been used for single-molecule unfolding, rheology measurements, and studies of force-regulated processes in living cells. This article describes an inexpensive magnetic tweezer setup for the application of precisely controlled forces up to 100nN onto 5μm magnetic beads. High precision of the force is achieved by a parametric force calibration method together with a real-time control of the magnetic tweezer position and current. High forces are achieved by bead-magnet distances of only a few micrometers. Applying such high forces can be used to characterize the local viscoelasticity of soft materials in the nonlinear regime, or to study force-regulated processes and mechanochemical signal transduction in living cells. The setup can be easily adapted to any inverted microscope.

High-force magnetic tweezers with force feedback for biological applications.

PubMed

Kollmannsberger, Philip; Fabry, Ben

2007-11-01

Magnetic micromanipulation using magnetic tweezers is a versatile biophysical technique and has been used for single-molecule unfolding, rheology measurements, and studies of force-regulated processes in living cells. This article describes an inexpensive magnetic tweezer setup for the application of precisely controlled forces up to 100 nN onto 5 microm magnetic beads. High precision of the force is achieved by a parametric force calibration method together with a real-time control of the magnetic tweezer position and current. High forces are achieved by bead-magnet distances of only a few micrometers. Applying such high forces can be used to characterize the local viscoelasticity of soft materials in the nonlinear regime, or to study force-regulated processes and mechanochemical signal transduction in living cells. The setup can be easily adapted to any inverted microscope.

Development of a Polarizable Force Field for Molecular Dynamics Simulations of Poly (Ethylene Oxide) in Aqueous Solution.

PubMed

Starovoytov, Oleg N; Borodin, Oleg; Bedrov, Dmitry; Smith, Grant D

2011-06-14

We have developed a quantum chemistry-based polarizable potential for poly(ethylene oxide) (PEO) in aqueous solution based on the APPLE&P polarizable ether and the SWM4-DP polarizable water models. Ether-water interactions were parametrized to reproduce the binding energy of water with 1,2-dimethoxyethane (DME) determined from high-level quantum chemistry calculations. Simulations of DME-water and PEO-water solutions at room temperature using the new polarizable potentials yielded thermodynamic properties in good agreement with experimental results. The predicted miscibility of PEO and water as a function of the temperature was found to be strongly correlated with the predicted free energy of solvation of DME. The developed nonbonded force field parameters were found to be transferrable to poly(propylene oxide) (PPO), as confirmed by capturing, at least qualitatively, the miscibility of PPO in water as a function of the molecular weight.

PRESS-based EFOR algorithm for the dynamic parametrical modeling of nonlinear MDOF systems

NASA Astrophysics Data System (ADS)

Liu, Haopeng; Zhu, Yunpeng; Luo, Zhong; Han, Qingkai

2017-09-01

In response to the identification problem concerning multi-degree of freedom (MDOF) nonlinear systems, this study presents the extended forward orthogonal regression (EFOR) based on predicted residual sums of squares (PRESS) to construct a nonlinear dynamic parametrical model. The proposed parametrical model is based on the non-linear autoregressive with exogenous inputs (NARX) model and aims to explicitly reveal the physical design parameters of the system. The PRESS-based EFOR algorithm is proposed to identify such a model for MDOF systems. By using the algorithm, we built a common-structured model based on the fundamental concept of evaluating its generalization capability through cross-validation. The resulting model aims to prevent over-fitting with poor generalization performance caused by the average error reduction ratio (AERR)-based EFOR algorithm. Then, a functional relationship is established between the coefficients of the terms and the design parameters of the unified model. Moreover, a 5-DOF nonlinear system is taken as a case to illustrate the modeling of the proposed algorithm. Finally, a dynamic parametrical model of a cantilever beam is constructed from experimental data. Results indicate that the dynamic parametrical model of nonlinear systems, which depends on the PRESS-based EFOR, can accurately predict the output response, thus providing a theoretical basis for the optimal design of modeling methods for MDOF nonlinear systems.

Semi-Automatic Modelling of Building FAÇADES with Shape Grammars Using Historic Building Information Modelling

NASA Astrophysics Data System (ADS)

Dore, C.; Murphy, M.

2013-02-01

This paper outlines a new approach for generating digital heritage models from laser scan or photogrammetric data using Historic Building Information Modelling (HBIM). HBIM is a plug-in for Building Information Modelling (BIM) software that uses parametric library objects and procedural modelling techniques to automate the modelling stage. The HBIM process involves a reverse engineering solution whereby parametric interactive objects representing architectural elements are mapped onto laser scan or photogrammetric survey data. A library of parametric architectural objects has been designed from historic manuscripts and architectural pattern books. These parametric objects were built using an embedded programming language within the ArchiCAD BIM software called Geometric Description Language (GDL). Procedural modelling techniques have been implemented with the same language to create a parametric building façade which automatically combines library objects based on architectural rules and proportions. Different configurations of the façade are controlled by user parameter adjustment. The automatically positioned elements of the façade can be subsequently refined using graphical editing while overlaying the model with orthographic imagery. Along with this semi-automatic method for generating façade models, manual plotting of library objects can also be used to generate a BIM model from survey data. After the 3D model has been completed conservation documents such as plans, sections, elevations and 3D views can be automatically generated for conservation projects.

Z/sub n/ Baxter model: symmetries and the Belavin parametrization

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

Richey, M.P.; Tracy, C.A.

1986-02-01

The Z/sub n/ Baxter model is an exactly solvable lattice model in the special case of the Belavin parametrization. For this parametrization the authors calculate the partition function in an antiferromagnetic region and the order parameter in a ferromagnetic region. They find that the order parameter is expressible in terms of a modular function of level n which for n=2 is the Onsager-Yang-Baxter result. In addition they determine the symmetry group of the finite lattice partition function for the general Z/sub n/ Baxter model.

Multi-parametric centrality method for graph network models

NASA Astrophysics Data System (ADS)

Ivanov, Sergei Evgenievich; Gorlushkina, Natalia Nikolaevna; Ivanova, Lubov Nikolaevna

2018-04-01

The graph model networks are investigated to determine centrality, weights and the significance of vertices. For centrality analysis appliesa typical method that includesany one of the properties of graph vertices. In graph theory, methods of analyzing centrality are used: in terms by degree, closeness, betweenness, radiality, eccentricity, page-rank, status, Katz and eigenvector. We have proposed a new method of multi-parametric centrality, which includes a number of basic properties of the network member. The mathematical model of multi-parametric centrality method is developed. Comparison of results for the presented method with the centrality methods is carried out. For evaluate the results for the multi-parametric centrality methodthe graph model with hundreds of vertices is analyzed. The comparative analysis showed the accuracy of presented method, includes simultaneously a number of basic properties of vertices.

Applying Statistical Models and Parametric Distance Measures for Music Similarity Search

NASA Astrophysics Data System (ADS)

Lukashevich, Hanna; Dittmar, Christian; Bastuck, Christoph

Automatic deriving of similarity relations between music pieces is an inherent field of music information retrieval research. Due to the nearly unrestricted amount of musical data, the real-world similarity search algorithms have to be highly efficient and scalable. The possible solution is to represent each music excerpt with a statistical model (ex. Gaussian mixture model) and thus to reduce the computational costs by applying the parametric distance measures between the models. In this paper we discuss the combinations of applying different parametric modelling techniques and distance measures and weigh the benefits of each one against the others.

Parametric Modeling for Fluid Systems

NASA Technical Reports Server (NTRS)

Pizarro, Yaritzmar Rosario; Martinez, Jonathan

2013-01-01

Fluid Systems involves different projects that require parametric modeling, which is a model that maintains consistent relationships between elements as is manipulated. One of these projects is the Neo Liquid Propellant Testbed, which is part of Rocket U. As part of Rocket U (Rocket University), engineers at NASA's Kennedy Space Center in Florida have the opportunity to develop critical flight skills as they design, build and launch high-powered rockets. To build the Neo testbed; hardware from the Space Shuttle Program was repurposed. Modeling for Neo, included: fittings, valves, frames and tubing, between others. These models help in the review process, to make sure regulations are being followed. Another fluid systems project that required modeling is Plant Habitat's TCUI test project. Plant Habitat is a plan to develop a large growth chamber to learn the effects of long-duration microgravity exposure to plants in space. Work for this project included the design and modeling of a duct vent for flow test. Parametric Modeling for these projects was done using Creo Parametric 2.0.

Housing price prediction: parametric versus semi-parametric spatial hedonic models

NASA Astrophysics Data System (ADS)

Montero, José-María; Mínguez, Román; Fernández-Avilés, Gema

2018-01-01

House price prediction is a hot topic in the economic literature. House price prediction has traditionally been approached using a-spatial linear (or intrinsically linear) hedonic models. It has been shown, however, that spatial effects are inherent in house pricing. This article considers parametric and semi-parametric spatial hedonic model variants that account for spatial autocorrelation, spatial heterogeneity and (smooth and nonparametrically specified) nonlinearities using penalized splines methodology. The models are represented as a mixed model that allow for the estimation of the smoothing parameters along with the other parameters of the model. To assess the out-of-sample performance of the models, the paper uses a database containing the price and characteristics of 10,512 homes in Madrid, Spain (Q1 2010). The results obtained suggest that the nonlinear models accounting for spatial heterogeneity and flexible nonlinear relationships between some of the individual or areal characteristics of the houses and their prices are the best strategies for house price prediction.

Brayton Power Conversion System Parametric Design Modelling for Nuclear Electric Propulsion

NASA Technical Reports Server (NTRS)

Ashe, Thomas L.; Otting, William D.

1993-01-01

The parametrically based closed Brayton cycle (CBC) computer design model was developed for inclusion into the NASA LeRC overall Nuclear Electric Propulsion (NEP) end-to-end systems model. The code is intended to provide greater depth to the NEP system modeling which is required to more accurately predict the impact of specific technology on system performance. The CBC model is parametrically based to allow for conducting detailed optimization studies and to provide for easy integration into an overall optimizer driver routine. The power conversion model includes the modeling of the turbines, alternators, compressors, ducting, and heat exchangers (hot-side heat exchanger and recuperator). The code predicts performance to significant detail. The system characteristics determined include estimates of mass, efficiency, and the characteristic dimensions of the major power conversion system components. These characteristics are parametrically modeled as a function of input parameters such as the aerodynamic configuration (axial or radial), turbine inlet temperature, cycle temperature ratio, power level, lifetime, materials, and redundancy.

Comparison Between Linear and Non-parametric Regression Models for Genome-Enabled Prediction in Wheat

PubMed Central

Pérez-Rodríguez, Paulino; Gianola, Daniel; González-Camacho, Juan Manuel; Crossa, José; Manès, Yann; Dreisigacker, Susanne

2012-01-01

In genome-enabled prediction, parametric, semi-parametric, and non-parametric regression models have been used. This study assessed the predictive ability of linear and non-linear models using dense molecular markers. The linear models were linear on marker effects and included the Bayesian LASSO, Bayesian ridge regression, Bayes A, and Bayes B. The non-linear models (this refers to non-linearity on markers) were reproducing kernel Hilbert space (RKHS) regression, Bayesian regularized neural networks (BRNN), and radial basis function neural networks (RBFNN). These statistical models were compared using 306 elite wheat lines from CIMMYT genotyped with 1717 diversity array technology (DArT) markers and two traits, days to heading (DTH) and grain yield (GY), measured in each of 12 environments. It was found that the three non-linear models had better overall prediction accuracy than the linear regression specification. Results showed a consistent superiority of RKHS and RBFNN over the Bayesian LASSO, Bayesian ridge regression, Bayes A, and Bayes B models. PMID:23275882

Comparison between linear and non-parametric regression models for genome-enabled prediction in wheat.

PubMed

Pérez-Rodríguez, Paulino; Gianola, Daniel; González-Camacho, Juan Manuel; Crossa, José; Manès, Yann; Dreisigacker, Susanne

2012-12-01

In genome-enabled prediction, parametric, semi-parametric, and non-parametric regression models have been used. This study assessed the predictive ability of linear and non-linear models using dense molecular markers. The linear models were linear on marker effects and included the Bayesian LASSO, Bayesian ridge regression, Bayes A, and Bayes B. The non-linear models (this refers to non-linearity on markers) were reproducing kernel Hilbert space (RKHS) regression, Bayesian regularized neural networks (BRNN), and radial basis function neural networks (RBFNN). These statistical models were compared using 306 elite wheat lines from CIMMYT genotyped with 1717 diversity array technology (DArT) markers and two traits, days to heading (DTH) and grain yield (GY), measured in each of 12 environments. It was found that the three non-linear models had better overall prediction accuracy than the linear regression specification. Results showed a consistent superiority of RKHS and RBFNN over the Bayesian LASSO, Bayesian ridge regression, Bayes A, and Bayes B models.

Accelerated Molecular Dynamics Simulations with the AMOEBA Polarizable Force Field on Graphics Processing Units

PubMed Central

2013-01-01

The accelerated molecular dynamics (aMD) method has recently been shown to enhance the sampling of biomolecules in molecular dynamics (MD) simulations, often by several orders of magnitude. Here, we describe an implementation of the aMD method for the OpenMM application layer that takes full advantage of graphics processing units (GPUs) computing. The aMD method is shown to work in combination with the AMOEBA polarizable force field (AMOEBA-aMD), allowing the simulation of long time-scale events with a polarizable force field. Benchmarks are provided to show that the AMOEBA-aMD method is efficiently implemented and produces accurate results in its standard parametrization. For the BPTI protein, we demonstrate that the protein structure described with AMOEBA remains stable even on the extended time scales accessed at high levels of accelerations. For the DNA repair metalloenzyme endonuclease IV, we show that the use of the AMOEBA force field is a significant improvement over fixed charged models for describing the enzyme active-site. The new AMOEBA-aMD method is publicly available (http://wiki.simtk.org/openmm/VirtualRepository) and promises to be interesting for studying complex systems that can benefit from both the use of a polarizable force field and enhanced sampling. PMID:24634618

Building machine learning force fields for nanoclusters

NASA Astrophysics Data System (ADS)

Zeni, Claudio; Rossi, Kevin; Glielmo, Aldo; Fekete, Ádám; Gaston, Nicola; Baletto, Francesca; De Vita, Alessandro

2018-06-01

We assess Gaussian process (GP) regression as a technique to model interatomic forces in metal nanoclusters by analyzing the performance of 2-body, 3-body, and many-body kernel functions on a set of 19-atom Ni cluster structures. We find that 2-body GP kernels fail to provide faithful force estimates, despite succeeding in bulk Ni systems. However, both 3- and many-body kernels predict forces within an ˜0.1 eV/Å average error even for small training datasets and achieve high accuracy even on out-of-sample, high temperature structures. While training and testing on the same structure always provide satisfactory accuracy, cross-testing on dissimilar structures leads to higher prediction errors, posing an extrapolation problem. This can be cured using heterogeneous training on databases that contain more than one structure, which results in a good trade-off between versatility and overall accuracy. Starting from a 3-body kernel trained this way, we build an efficient non-parametric 3-body force field that allows accurate prediction of structural properties at finite temperatures, following a newly developed scheme [A. Glielmo et al., Phys. Rev. B 95, 214302 (2017)]. We use this to assess the thermal stability of Ni19 nanoclusters at a fractional cost of full ab initio calculations.

Bidirectional reflectance distribution function measurements and analysis of retroreflective materials.

PubMed

Belcour, Laurent; Pacanowski, Romain; Delahaie, Marion; Laville-Geay, Aude; Eupherte, Laure

2014-12-01

We compare the performance of various analytical retroreflecting bidirectional reflectance distribution function (BRDF) models to assess how they reproduce accurately measured data of retroreflecting materials. We introduce a new parametrization, the back vector parametrization, to analyze retroreflecting data, and we show that this parametrization better preserves the isotropy of data. Furthermore, we update existing BRDF models to improve the representation of retroreflective data.

Validation of a Parametric Approach for 3d Fortification Modelling: Application to Scale Models

NASA Astrophysics Data System (ADS)

Jacquot, K.; Chevrier, C.; Halin, G.

2013-02-01

Parametric modelling approach applied to cultural heritage virtual representation is a field of research explored for years since it can address many limitations of digitising tools. For example, essential historical sources for fortification virtual reconstructions like plans-reliefs have several shortcomings when they are scanned. To overcome those problems, knowledge based-modelling can be used: knowledge models based on the analysis of theoretical literature of a specific domain such as bastioned fortification treatises can be the cornerstone of the creation of a parametric library of fortification components. Implemented in Grasshopper, these components are manually adjusted on the data available (i.e. 3D surveys of plans-reliefs or scanned maps). Most of the fortification area is now modelled and the question of accuracy assessment is raised. A specific method is used to evaluate the accuracy of the parametric components. The results of the assessment process will allow us to validate the parametric approach. The automation of the adjustment process can finally be planned. The virtual model of fortification is part of a larger project aimed at valorising and diffusing a very unique cultural heritage item: the collection of plans-reliefs. As such, knowledge models are precious assets when automation and semantic enhancements will be considered.

Centrifugal acceleration of ions in the polar magnetosphere

NASA Technical Reports Server (NTRS)

Swinney, Kenneth R.; Horwitz, James L.; Delcourt, D.

1987-01-01

The transport of ionospheric ions originating near the dayside cusp into the magnetotail is parametrically studied using a 3-D model of ion trajectories. It is shown that the centrifugal term in the guiding center parallel force equation dominates the parallel motion after about 4 Re geocentric distance. The dependence of the equatorial crossing distance on initial latitude, energy and convection electric field is presented for ions originating on the dayside ionosphere in the noon-midnight plane. It is also found that up to altitudes of about 5 Re, the motion is similar to that of a bead on a rotating rod, for which a simple analytical solution exists.

Stock price forecasting for companies listed on Tehran stock exchange using multivariate adaptive regression splines model and semi-parametric splines technique

NASA Astrophysics Data System (ADS)

Rounaghi, Mohammad Mahdi; Abbaszadeh, Mohammad Reza; Arashi, Mohammad

2015-11-01

One of the most important topics of interest to investors is stock price changes. Investors whose goals are long term are sensitive to stock price and its changes and react to them. In this regard, we used multivariate adaptive regression splines (MARS) model and semi-parametric splines technique for predicting stock price in this study. The MARS model as a nonparametric method is an adaptive method for regression and it fits for problems with high dimensions and several variables. semi-parametric splines technique was used in this study. Smoothing splines is a nonparametric regression method. In this study, we used 40 variables (30 accounting variables and 10 economic variables) for predicting stock price using the MARS model and using semi-parametric splines technique. After investigating the models, we select 4 accounting variables (book value per share, predicted earnings per share, P/E ratio and risk) as influencing variables on predicting stock price using the MARS model. After fitting the semi-parametric splines technique, only 4 accounting variables (dividends, net EPS, EPS Forecast and P/E Ratio) were selected as variables effective in forecasting stock prices.

A Semi-parametric Transformation Frailty Model for Semi-competing Risks Survival Data

PubMed Central

Jiang, Fei; Haneuse, Sebastien

2016-01-01

In the analysis of semi-competing risks data interest lies in estimation and inference with respect to a so-called non-terminal event, the observation of which is subject to a terminal event. Multi-state models are commonly used to analyse such data, with covariate effects on the transition/intensity functions typically specified via the Cox model and dependence between the non-terminal and terminal events specified, in part, by a unit-specific shared frailty term. To ensure identifiability, the frailties are typically assumed to arise from a parametric distribution, specifically a Gamma distribution with mean 1.0 and variance, say, σ2. When the frailty distribution is misspecified, however, the resulting estimator is not guaranteed to be consistent, with the extent of asymptotic bias depending on the discrepancy between the assumed and true frailty distributions. In this paper, we propose a novel class of transformation models for semi-competing risks analysis that permit the non-parametric specification of the frailty distribution. To ensure identifiability, the class restricts to parametric specifications of the transformation and the error distribution; the latter are flexible, however, and cover a broad range of possible specifications. We also derive the semi-parametric efficient score under the complete data setting and propose a non-parametric score imputation method to handle right censoring; consistency and asymptotic normality of the resulting estimators is derived and small-sample operating characteristics evaluated via simulation. Although the proposed semi-parametric transformation model and non-parametric score imputation method are motivated by the analysis of semi-competing risks data, they are broadly applicable to any analysis of multivariate time-to-event outcomes in which a unit-specific shared frailty is used to account for correlation. Finally, the proposed model and estimation procedures are applied to a study of hospital readmission among patients diagnosed with pancreatic cancer. PMID:28439147

Evaluation of snow modeling with Noah and Noah-MP land surface models in NCEP GFS/CFS system

NASA Astrophysics Data System (ADS)

Dong, J.; Ek, M. B.; Wei, H.; Meng, J.

2017-12-01

Land surface serves as lower boundary forcing in global forecast system (GFS) and climate forecast system (CFS), simulating interactions between land and the atmosphere. Understanding the underlying land model physics is a key to improving weather and seasonal prediction skills. With the upgrades in land model physics (e.g., release of newer versions of a land model), different land initializations, changes in parameterization schemes used in the land model (e.g., land physical parametrization options), and how the land impact is handled (e.g., physics ensemble approach), it always prompts the necessity that climate prediction experiments need to be re-conducted to examine its impact. The current NASA LIS (version 7) integrates NOAA operational land surface and hydrological models (NCEP's Noah, versions from 2.7.1 to 3.6 and the future Noah-MP), high-resolution satellite and observational data, and land DA tools. The newer versions of the Noah LSM used in operational models have a variety of enhancements compared to older versions, where the Noah-MP allows for different physics parameterization options and the choice could have large impact on physical processes underlying seasonal predictions. These impacts need to be reexamined before implemented into NCEP operational systems. A set of offline numerical experiments driven by the GFS forecast forcing have been conducted to evaluate the impact of snow modeling with daily Global Historical Climatology Network (GHCN).

Transport properties of carbon dioxide and methane from molecular dynamics simulations.

PubMed

Aimoli, C G; Maginn, E J; Abreu, C R A

2014-10-07

Transport properties of carbon dioxide and methane are predicted for temperatures between (273.15 and 573.15) K and pressures up to 800 MPa by molecular dynamics simulations. Viscosities and thermal conductivities were obtained through the Green-Kubo formalism, whereas the Einstein relation was used to provide self-diffusion coefficient estimates. The differences in property predictions due to the force field nature and parametrization were investigated by the comparison of seven different CO2 models (two single-site models, three rigid three-site models, and two fully flexible three-site models) and three different CH4 models (two single-site models and one fully flexible five-site model). The simulation results show good agreement with experimental data, except for thermal conductivities at low densities. The molecular structure and force field parameters play an important role in the accuracy of the simulations, which is within the experimental deviations reported for viscosities and self-diffusion coefficients considering the most accurate CO2 and CH4 models studied. On the other hand, the molecular flexibility does not seem to improve accuracy, since the explicit account of vibrational and bending degrees of freedom in the CO2 flexible models leads to slightly less accurate results. Nonetheless, the use of a correctional term to account for vibrational modes in rigid models generally improves estimations of thermal conductivity values. At extreme densities, the caging effect observed with single-site representations of the molecules restrains mobility and leads to an unphysical overestimation of viscosities and, conversely, to the underestimation of self-diffusion coefficients. This result may help to better understand the limits of applicability of such force fields concerning structural and transport properties of dense systems.

Propagation of model and forcing uncertainty into hydrological drought characteristics in a multi-model century-long experiment in continental river basins

NASA Astrophysics Data System (ADS)

Samaniego, L. E.; Kumar, R.; Schaefer, D.; Huang, S.; Yang, T.; Mishra, V.; Eisner, S.; Vetter, T.; Pechlivanidis, I.; Liersch, S.; Flörke, M.; Krysanova, V.

2015-12-01

Droughts are creeping hydro-meteorological events that bring societiesand natural systems to their limits and inducing considerablesocio-economic losses. Currently it is hypothesized that climate changewill exacerbate current trends leading a more severe and extendeddroughts, as well as, larger than normal recovery periods. Currentassessments, however, lack of a consistent framework to deal withcompatible initial conditions for the impact models and a set ofstandardized historical and future forcings. The ISI-MIP project provides an unique opportunity to understand thepropagation of model and forcing uncertainty into century-long timeseries of drought characteristics using an ensemble of model predictionsacross a broad range of climate scenarios and regions. In the presentstudy, we analyze this issue using the hydrologic simulations carriedout with HYPE, mHM, SWIM, VIC, and WaterGAP3 in seven large continentalriver basins: Amazon, Blue Nile, Ganges, Niger, Mississippi, Rhine,Yellow. All models are calibrated against observed streamflow duringthe period 1971-2001 using the same forcings based on the WATCH datasets. These constrained models were then forced with bias correctedoutputs of five CMIP-5 GCMs under four RCP scenarios (i.e. 2.6, 4.5,6.0, and 8.5 W/m2) for the period 1971-2099. A non-parametric kernel density approach is used to estimate thetemporal evolution of a monthly runoff index based on simulatedstreamflow. Hydrologic simulations corresponding to each GCM during thehistoric period of 1981-2010 serve as reference for the estimation ofthe basin specific monthly probability distribution functions. GCMspecific reference pdfs are then used to recast the future hydrologicmodel outputs from different RCP scenarios. Based on these results,drought severity and duration are investigated during periods: 1)2006-2035, 2) 2036-2065 and 3) 2070-2099. Two main hypothesis areinvestigated: 1) model predictive uncertainty of drought indices amongdifferent hydrologic models is negligible compared to the uncertaintyoriginated from different GCMs and 2) the projected drift of droughtcharacteristics is hydrologic model independent and it is only driven bythe GCM variability. The temporal evolution between drought severity andduration is also analyzed.

Formation of parametric images using mixed-effects models: a feasibility study.

PubMed

Huang, Husan-Ming; Shih, Yi-Yu; Lin, Chieh

2016-03-01

Mixed-effects models have been widely used in the analysis of longitudinal data. By presenting the parameters as a combination of fixed effects and random effects, mixed-effects models incorporating both within- and between-subject variations are capable of improving parameter estimation. In this work, we demonstrate the feasibility of using a non-linear mixed-effects (NLME) approach for generating parametric images from medical imaging data of a single study. By assuming that all voxels in the image are independent, we used simulation and animal data to evaluate whether NLME can improve the voxel-wise parameter estimation. For testing purposes, intravoxel incoherent motion (IVIM) diffusion parameters including perfusion fraction, pseudo-diffusion coefficient and true diffusion coefficient were estimated using diffusion-weighted MR images and NLME through fitting the IVIM model. The conventional method of non-linear least squares (NLLS) was used as the standard approach for comparison of the resulted parametric images. In the simulated data, NLME provides more accurate and precise estimates of diffusion parameters compared with NLLS. Similarly, we found that NLME has the ability to improve the signal-to-noise ratio of parametric images obtained from rat brain data. These data have shown that it is feasible to apply NLME in parametric image generation, and the parametric image quality can be accordingly improved with the use of NLME. With the flexibility to be adapted to other models or modalities, NLME may become a useful tool to improve the parametric image quality in the future. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

Systematic and Automated Development of Quantum Mechanically Derived Force Fields: The Challenging Case of Halogenated Hydrocarbons.

PubMed

Prampolini, Giacomo; Campetella, Marco; De Mitri, Nicola; Livotto, Paolo Roberto; Cacelli, Ivo

2016-11-08

A robust and automated protocol for the derivation of sound force field parameters, suitable for condensed-phase classical simulations, is here tested and validated on several halogenated hydrocarbons, a class of compounds for which standard force fields have often been reported to deliver rather inaccurate performances. The major strength of the proposed protocol is that all of the parameters are derived only from first principles because all of the information required is retrieved from quantum mechanical data, purposely computed for the investigated molecule. This a priori parametrization is carried out separately for the intra- and intermolecular contributions to the force fields, respectively exploiting the Joyce and Picky programs, previously developed in our group. To avoid high computational costs, all quantum mechanical calculations were performed exploiting the density functional theory. Because the choice of the functional is known to be crucial for the description of the intermolecular interactions, a specific procedure is proposed, which allows for a reliable benchmark of different functionals against higher-level data. The intramolecular and intermolecular contribution are eventually joined together, and the resulting quantum mechanically derived force field is thereafter employed in lengthy molecular dynamics simulations to compute several thermodynamic properties that characterize the resulting bulk phase. The accuracy of the proposed parametrization protocol is finally validated by comparing the computed macroscopic observables with the available experimental counterparts. It is found that, on average, the proposed approach is capable of yielding a consistent description of the investigated set, often outperforming the literature standard force fields, or at least delivering results of similar accuracy.

Parametric modelling of cost data in medical studies.

PubMed

Nixon, R M; Thompson, S G

2004-04-30

The cost of medical resources used is often recorded for each patient in clinical studies in order to inform decision-making. Although cost data are generally skewed to the right, interest is in making inferences about the population mean cost. Common methods for non-normal data, such as data transformation, assuming asymptotic normality of the sample mean or non-parametric bootstrapping, are not ideal. This paper describes possible parametric models for analysing cost data. Four example data sets are considered, which have different sample sizes and degrees of skewness. Normal, gamma, log-normal, and log-logistic distributions are fitted, together with three-parameter versions of the latter three distributions. Maximum likelihood estimates of the population mean are found; confidence intervals are derived by a parametric BC(a) bootstrap and checked by MCMC methods. Differences between model fits and inferences are explored.Skewed parametric distributions fit cost data better than the normal distribution, and should in principle be preferred for estimating the population mean cost. However for some data sets, we find that models that fit badly can give similar inferences to those that fit well. Conversely, particularly when sample sizes are not large, different parametric models that fit the data equally well can lead to substantially different inferences. We conclude that inferences are sensitive to choice of statistical model, which itself can remain uncertain unless there is enough data to model the tail of the distribution accurately. Investigating the sensitivity of conclusions to choice of model should thus be an essential component of analysing cost data in practice. Copyright 2004 John Wiley & Sons, Ltd.

Coupled oscillators in identification of nonlinear damping of a real parametric pendulum

NASA Astrophysics Data System (ADS)

Olejnik, Paweł; Awrejcewicz, Jan

2018-01-01

A damped parametric pendulum with friction is identified twice by means of its precise and imprecise mathematical model. A laboratory test stand designed for experimental investigations of nonlinear effects determined by a viscous resistance and the stick-slip phenomenon serves as the model mechanical system. An influence of accurateness of mathematical modeling on the time variability of the nonlinear damping coefficient of the oscillator is proved. A free decay response of a precisely and imprecisely modeled physical pendulum is dependent on two different time-varying coefficients of damping. The coefficients of the analyzed parametric oscillator are identified with the use of a new semi-empirical method based on a coupled oscillators approach, utilizing the fractional order derivative of the discrete measurement series treated as an input to the numerical model. Results of application of the proposed method of identification of the nonlinear coefficients of the damped parametric oscillator have been illustrated and extensively discussed.

Modeling the directivity of parametric loudspeaker

NASA Astrophysics Data System (ADS)

Shi, Chuang; Gan, Woon-Seng

2012-09-01

The emerging applications of the parametric loudspeaker, such as 3D audio, demands accurate directivity control at the audible frequency (i.e. the difference frequency). Though the delay-and-sum beamforming has been proven adequate to adjust the steering angles of the parametric loudspeaker, accurate prediction of the mainlobe and sidelobes remains a challenging problem. It is mainly because of the approximations that are used to derive the directivity of the difference frequency from the directivity of the primary frequency, and the mismatches between the theoretical directivity and the measured directivity caused by system errors incurred at different stages of the implementation. In this paper, we propose a directivity model of the parametric loudspeaker. The directivity model consists of two tuning vectors corresponding to the spacing error and the weight error for the primary frequency. The directivity model adopts a modified form of the product directivity principle for the difference frequency to further improve the modeling accuracy.

Parametric Cost Models for Space Telescopes

NASA Technical Reports Server (NTRS)

Stahl, H. Philip; Henrichs, Todd; Dollinger, Courtney

2010-01-01

Multivariable parametric cost models for space telescopes provide several benefits to designers and space system project managers. They identify major architectural cost drivers and allow high-level design trades. They enable cost-benefit analysis for technology development investment. And, they provide a basis for estimating total project cost. A survey of historical models found that there is no definitive space telescope cost model. In fact, published models vary greatly [1]. Thus, there is a need for parametric space telescopes cost models. An effort is underway to develop single variable [2] and multi-variable [3] parametric space telescope cost models based on the latest available data and applying rigorous analytical techniques. Specific cost estimating relationships (CERs) have been developed which show that aperture diameter is the primary cost driver for large space telescopes; technology development as a function of time reduces cost at the rate of 50% per 17 years; it costs less per square meter of collecting aperture to build a large telescope than a small telescope; and increasing mass reduces cost.

Self-induced parametric amplification arising from nonlinear elastic coupling in a micromechanical resonating disk gyroscope

PubMed Central

Nitzan, Sarah H.; Zega, Valentina; Li, Mo; Ahn, Chae H.; Corigliano, Alberto; Kenny, Thomas W.; Horsley, David A.

2015-01-01

Parametric amplification, resulting from intentionally varying a parameter in a resonator at twice its resonant frequency, has been successfully employed to increase the sensitivity of many micro- and nano-scale sensors. Here, we introduce the concept of self-induced parametric amplification, which arises naturally from nonlinear elastic coupling between the degenerate vibration modes in a micromechanical disk-resonator, and is not externally applied. The device functions as a gyroscope wherein angular rotation is detected from Coriolis coupling of elastic vibration energy from a driven vibration mode into a second degenerate sensing mode. While nonlinear elasticity in silicon resonators is extremely weak, in this high quality-factor device, ppm-level nonlinear elastic effects result in an order-of-magnitude increase in the observed sensitivity to Coriolis force relative to linear theory. Perfect degeneracy of the primary and secondary vibration modes is achieved through electrostatic frequency tuning, which also enables the phase and frequency of the parametric coupling to be varied, and we show that the resulting phase and frequency dependence of the amplification follow the theory of parametric resonance. We expect that this phenomenon will be useful for both fundamental studies of dynamic systems with low dissipation and for increasing signal-to-noise ratio in practical applications such as gyroscopes. PMID:25762243

Self-induced parametric amplification arising from nonlinear elastic coupling in a micromechanical resonating disk gyroscope.

PubMed

Nitzan, Sarah H; Zega, Valentina; Li, Mo; Ahn, Chae H; Corigliano, Alberto; Kenny, Thomas W; Horsley, David A

2015-03-12

Parametric amplification, resulting from intentionally varying a parameter in a resonator at twice its resonant frequency, has been successfully employed to increase the sensitivity of many micro- and nano-scale sensors. Here, we introduce the concept of self-induced parametric amplification, which arises naturally from nonlinear elastic coupling between the degenerate vibration modes in a micromechanical disk-resonator, and is not externally applied. The device functions as a gyroscope wherein angular rotation is detected from Coriolis coupling of elastic vibration energy from a driven vibration mode into a second degenerate sensing mode. While nonlinear elasticity in silicon resonators is extremely weak, in this high quality-factor device, ppm-level nonlinear elastic effects result in an order-of-magnitude increase in the observed sensitivity to Coriolis force relative to linear theory. Perfect degeneracy of the primary and secondary vibration modes is achieved through electrostatic frequency tuning, which also enables the phase and frequency of the parametric coupling to be varied, and we show that the resulting phase and frequency dependence of the amplification follow the theory of parametric resonance. We expect that this phenomenon will be useful for both fundamental studies of dynamic systems with low dissipation and for increasing signal-to-noise ratio in practical applications such as gyroscopes.

A level-set method for two-phase flows with moving contact line and insoluble surfactant

NASA Astrophysics Data System (ADS)

Xu, Jian-Jun; Ren, Weiqing

2014-04-01

A level-set method for two-phase flows with moving contact line and insoluble surfactant is presented. The mathematical model consists of the Navier-Stokes equation for the flow field, a convection-diffusion equation for the surfactant concentration, together with the Navier boundary condition and a condition for the dynamic contact angle derived by Ren et al. (2010) [37]. The numerical method is based on the level-set continuum surface force method for two-phase flows with surfactant developed by Xu et al. (2012) [54] with some cautious treatment for the boundary conditions. The numerical method consists of three components: a flow solver for the velocity field, a solver for the surfactant concentration, and a solver for the level-set function. In the flow solver, the surface force is dealt with using the continuum surface force model. The unbalanced Young stress at the moving contact line is incorporated into the Navier boundary condition. A convergence study of the numerical method and a parametric study are presented. The influence of surfactant on the dynamics of the moving contact line is illustrated using examples. The capability of the level-set method to handle complex geometries is demonstrated by simulating a pendant drop detaching from a wall under gravity.

Force-field parametrization and molecular dynamics simulations of Congo red

NASA Astrophysics Data System (ADS)

Król, Marcin; Borowski, Tomasz; Roterman, Irena; Piekarska, Barbara; Stopa, Barbara; Rybarska, Joanna; Konieczny, Leszek

2004-01-01

Congo red, a diazo dye widely used in medical diagnosis, is known to form supramolecular systems in solution. Such a supramolecular system may interact with various proteins. In order to examine the nature of such complexes empirical force field parameters for the Congo red molecule were developed. The parametrization of bonding terms closely followed the methodology used in the development of the charmm22 force field, except for the calculation of charges. Point charges were calculated from a fit to a quantum mechanically derived electrostatic potential using the CHELP-BOW method. Obtained parameters were tested in a series of molecular dynamics simulations of both a single molecule and a micelle composed of Congo red molecules. It is shown that newly developed parameters define a stable minimum on the hypersurface of the potential energy and crystal and ab initio geometries and rotational barriers are well reproduced. Furthermore, rotations around C-N bonds are similar to torsional vibrations observed in crystals of diphenyl-diazene, which confirms that the flexibility of the molecule is correct. Comparison of results obtained from micelles molecular dynamics simulations with experimental data shows that the thermal dependence of micelle creation is well reproduced.

Multiresponse semiparametric regression for modelling the effect of regional socio-economic variables on the use of information technology

NASA Astrophysics Data System (ADS)

Wibowo, Wahyu; Wene, Chatrien; Budiantara, I. Nyoman; Permatasari, Erma Oktania

2017-03-01

Multiresponse semiparametric regression is simultaneous equation regression model and fusion of parametric and nonparametric model. The regression model comprise several models and each model has two components, parametric and nonparametric. The used model has linear function as parametric and polynomial truncated spline as nonparametric component. The model can handle both linearity and nonlinearity relationship between response and the sets of predictor variables. The aim of this paper is to demonstrate the application of the regression model for modeling of effect of regional socio-economic on use of information technology. More specific, the response variables are percentage of households has access to internet and percentage of households has personal computer. Then, predictor variables are percentage of literacy people, percentage of electrification and percentage of economic growth. Based on identification of the relationship between response and predictor variable, economic growth is treated as nonparametric predictor and the others are parametric predictors. The result shows that the multiresponse semiparametric regression can be applied well as indicate by the high coefficient determination, 90 percent.

Parametric analysis of a shape memory alloy actuated arm

NASA Astrophysics Data System (ADS)

Wright, Cody; Bilgen, Onur

2016-04-01

Using a pair of antagonistic Shape Memory Allow (SMA) wires, it may be possible to produce a mechanism that replicates human musculoskeletal movement. The movement of interest is the articulation of the elbow joint actuated by the biceps brachii muscle. In an effort to understand the bio-mechanics of the arm, a single degree of freedom crankslider mechanism is used to model the movement of the arm induced by the biceps brachii muscle. First, a purely kinematical analysis is performed on a rigid body crank-slider. Force analysis is also done modeling the muscle as a simple linear spring. Torque, rocking angle, and energy are calculated for a range of crank-slider geometries. The SMA wire characteristics are experimentally determined for the martensite detwinned and full austenite phases. Using the experimental data, an idealized actuator characteristic curve is produced for the SMA wire. Kinematic and force analyses are performed on the nonlinear wire characteristic curve and a linearized wire curve; both cases are applied to the crankslider mechanism. Performance metrics for both cases are compared, followed by discussion.

Nonlinear Modeling of Forced Magnetic Reconnection with Transient Perturbations

NASA Astrophysics Data System (ADS)

Beidler, Matthew T.; Callen, James D.; Hegna, Chris C.; Sovinec, Carl R.

2017-10-01

Externally applied 3D magnetic fields in tokamaks can penetrate into the plasma and lead to forced magnetic reconnection, and hence magnetic islands, on resonant surfaces. Analytic theory has been reasonably successful in describing many aspects of this paradigm with regard to describing the time asymptotic-steady state. However, understanding the nonlinear evolution into a low-slip, field-penetrated state, especially how MHD events such as sawteeth and ELMs precipitate this transition, is in its early development. We present nonlinear computations employing the extended-MHD code NIMROD, building on previous work by incorporating a temporally varying external perturbation as a simple model for an MHD event that produces resonant magnetic signals. A parametric series of proof-of-principle computations and accompanying analytical theory characterize the transition into a mode-locked state with an emphasis on detailing the temporal evolution properties. Supported by DOE OFES Grants DE-FG02-92ER54139, DE-FG02-86ER53218, and the U.S. DOE FES Postdoctoral Research program administered by ORISE and managed by ORAU under DOE contract DE-SC0014664.

The coupled atmosphere-chemistry-ocean model SOCOL-MPIOM

NASA Astrophysics Data System (ADS)

Muthers, S.; Anet, J. G.; Stenke, A.; Raible, C. C.; Rozanov, E.; Brönnimann, S.; Peter, T.; Arfeuille, F. X.; Shapiro, A. I.; Beer, J.; Steinhilber, F.; Brugnara, Y.; Schmutz, W.

2014-05-01

The newly developed atmosphere-ocean-chemistry-climate model SOCOL-MPIOM is presented by demonstrating the influence of the interactive chemistry module on the climate state and the variability. Therefore, we compare pre-industrial control simulations with (CHEM) and without (NOCHEM) interactive chemistry. In general, the influence of the chemistry on the mean state and the variability is small and mainly restricted to the stratosphere and mesosphere. The largest differences are found for the atmospheric dynamics in the polar regions, with slightly stronger northern and southern winter polar vortices in CHEM. The strengthening of the vortex is related to larger stratospheric temperature gradients, which are attributed to a parametrization of the absorption of ozone and oxygen in the Lyman-alpha, Schumann-Runge, Hartley, and Higgins bands. This effect is parametrized in the version with interactive chemistry only. A second reason for the temperature differences between CHEM and NOCHEM is related to diurnal variations in the ozone concentrations in the higher atmosphere, which are missing in NOCHEM. Furthermore, stratospheric water vapour concentrations differ substantially between the two experiments, but their effect on the temperatures is small. In both setups, the simulated intensity and variability of the northern polar vortex is inside the range of present day observations. Sudden stratospheric warming events are well reproduced in terms of their frequency, but the distribution amongst the winter months is too uniform. Additionally, the performance of SOCOL-MPIOM under changing external forcings is assessed for the period 1600-2000 using an ensemble of simulations driven by a spectral solar forcing reconstruction. The amplitude of the reconstruction is large in comparison to other state-of-the-art reconstructions, providing an upper limit for the importance of the solar signal. In the pre-industrial period (1600-1850) the simulated surface temperature trends are in reasonable agreement with temperature reconstructions, although the multi-decadal variability is more pronounced. This enhanced variability can be attributed to the variability in the solar forcing. The simulated temperature reductions during the Maunder Minimum are in the lowest probability range of the proxy records. During the Dalton Minimum, when also volcanic forcing is an important driver of temperature variations, the agreement is better. In the industrial period from 1850 onward SOCOL-MPIOM overestimates the temperature increase in comparison to observational data sets. Sensitivity simulations show that this overestimation can be attributed to the increasing trend in the solar forcing reconstruction that is used in this study and an additional warming induced by the simulated ozone changes.

Non-parametric directionality analysis - Extension for removal of a single common predictor and application to time series.

PubMed

Halliday, David M; Senik, Mohd Harizal; Stevenson, Carl W; Mason, Rob

2016-08-01

The ability to infer network structure from multivariate neuronal signals is central to computational neuroscience. Directed network analyses typically use parametric approaches based on auto-regressive (AR) models, where networks are constructed from estimates of AR model parameters. However, the validity of using low order AR models for neurophysiological signals has been questioned. A recent article introduced a non-parametric approach to estimate directionality in bivariate data, non-parametric approaches are free from concerns over model validity. We extend the non-parametric framework to include measures of directed conditional independence, using scalar measures that decompose the overall partial correlation coefficient summatively by direction, and a set of functions that decompose the partial coherence summatively by direction. A time domain partial correlation function allows both time and frequency views of the data to be constructed. The conditional independence estimates are conditioned on a single predictor. The framework is applied to simulated cortical neuron networks and mixtures of Gaussian time series data with known interactions. It is applied to experimental data consisting of local field potential recordings from bilateral hippocampus in anaesthetised rats. The framework offers a non-parametric approach to estimation of directed interactions in multivariate neuronal recordings, and increased flexibility in dealing with both spike train and time series data. The framework offers a novel alternative non-parametric approach to estimate directed interactions in multivariate neuronal recordings, and is applicable to spike train and time series data. Copyright © 2016 Elsevier B.V. All rights reserved.

Improvements in Sensible Heat-Flux Parametrization in the High-Resolution Regional Model (HRM) Through the Modified Treatment of the Roughness Length for Heat

NASA Astrophysics Data System (ADS)

Anurose, T. J.; Subrahamanyam, D. Bala

2013-06-01

We discuss the impact of the differential treatment of the roughness lengths for momentum and heat (z_{0m} and z_{0h}) in the flux parametrization scheme of the high-resolution regional model (HRM) for a heterogeneous terrain centred around Thiruvananthapuram, India (8.5°N, 76.9°E). The magnitudes of sensible heat flux ( H) obtained from HRM simulations using the original parametrization scheme differed drastically from the concurrent in situ observations. With a view to improving the performance of this parametrization scheme, two distinct modifications are incorporated: (1) In the first method, a constant value of 100 is assigned to the z_{0m}/z_{0h} ratio; (2) and in the second approach, this ratio is treated as a function of time. Both these modifications in the HRM model showed significant improvements in the H simulations for Thiruvananthapuram and its adjoining regions. Results obtained from the present study provide a first-ever comparison of H simulations using the modified parametrization scheme in the HRM model with in situ observations for the Indian coastal region, and suggest a differential treatment of z_{0m} and z_{0h} in the flux parametrization scheme.

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

John J. Gangloff Jr; Shatil Sinha; Suresh G. Advani

The formation and transport of voids in composite materials remains a key research area in composite manufacturing science. Knowledge of how voids, resin, and fiber reinforcement propagate throughout a composite material continuum from green state to cured state during an automated tape layup process is key to minimizing defects induced by void-initiated stress concentrations under applied loads for a wide variety of composite applications. This paper focuses on modeling resin flow in a deforming fiber tow during an automated process of partially impregnated thermoset prepreg composite material tapes. In this work, a tow unit cell based model has been presentedmore » that determines the consolidation and impregnation of a thermoset prepreg tape under an input pressure profile. A parametric study has been performed to characterize the behavior of varying tow speed and compaction forces on the degree of consolidation. Results indicate that increased tow consolidation is achieved with slower tow speeds and higher compaction forces although the relationship is not linear. The overall modeling of this project is motivated to address optimization of the 'green state' composite properties and processing parameters to reduce or eliminate 'cured state' defects, such as porosity and de-lamination. This work is partially funded by the Department of Energy under Award number DE-EE0001367.« less

Tests of chameleon gravity

NASA Astrophysics Data System (ADS)

Burrage, Clare; Sakstein, Jeremy

2018-03-01

Theories of modified gravity, where light scalars with non-trivial self-interactions and non-minimal couplings to matter—chameleon and symmetron theories—dynamically suppress deviations from general relativity in the solar system. On other scales, the environmental nature of the screening means that such scalars may be relevant. The highly-nonlinear nature of screening mechanisms means that they evade classical fifth-force searches, and there has been an intense effort towards designing new and novel tests to probe them, both in the laboratory and using astrophysical objects, and by reinterpreting existing datasets. The results of these searches are often presented using different parametrizations, which can make it difficult to compare constraints coming from different probes. The purpose of this review is to summarize the present state-of-the-art searches for screened scalars coupled to matter, and to translate the current bounds into a single parametrization to survey the state of the models. Presently, commonly studied chameleon models are well-constrained but less commonly studied models have large regions of parameter space that are still viable. Symmetron models are constrained well by astrophysical and laboratory tests, but there is a desert separating the two scales where the model is unconstrained. The coupling of chameleons to photons is tightly constrained but the symmetron coupling has yet to be explored. We also summarize the current bounds on f( R) models that exhibit the chameleon mechanism (Hu and Sawicki models). The simplest of these are well constrained by astrophysical probes, but there are currently few reported bounds for theories with higher powers of R. The review ends by discussing the future prospects for constraining screened modified gravity models further using upcoming and planned experiments.

Estimating technical efficiency in the hospital sector with panel data: a comparison of parametric and non-parametric techniques.

PubMed

Siciliani, Luigi

2006-01-01

Policy makers are increasingly interested in developing performance indicators that measure hospital efficiency. These indicators may give the purchasers of health services an additional regulatory tool to contain health expenditure. Using panel data, this study compares different parametric (econometric) and non-parametric (linear programming) techniques for the measurement of a hospital's technical efficiency. This comparison was made using a sample of 17 Italian hospitals in the years 1996-9. Highest correlations are found in the efficiency scores between the non-parametric data envelopment analysis under the constant returns to scale assumption (DEA-CRS) and several parametric models. Correlation reduces markedly when using more flexible non-parametric specifications such as data envelopment analysis under the variable returns to scale assumption (DEA-VRS) and the free disposal hull (FDH) model. Correlation also generally reduces when moving from one output to two-output specifications. This analysis suggests that there is scope for developing performance indicators at hospital level using panel data, but it is important that extensive sensitivity analysis is carried out if purchasers wish to make use of these indicators in practice.

Genetic Algorithm Based Framework for Automation of Stochastic Modeling of Multi-Season Streamflows

NASA Astrophysics Data System (ADS)

Srivastav, R. K.; Srinivasan, K.; Sudheer, K.

2009-05-01

Synthetic streamflow data generation involves the synthesis of likely streamflow patterns that are statistically indistinguishable from the observed streamflow data. The various kinds of stochastic models adopted for multi-season streamflow generation in hydrology are: i) parametric models which hypothesize the form of the periodic dependence structure and the distributional form a priori (examples are PAR, PARMA); disaggregation models that aim to preserve the correlation structure at the periodic level and the aggregated annual level; ii) Nonparametric models (examples are bootstrap/kernel based methods), which characterize the laws of chance, describing the stream flow process, without recourse to prior assumptions as to the form or structure of these laws; (k-nearest neighbor (k-NN), matched block bootstrap (MABB)); non-parametric disaggregation model. iii) Hybrid models which blend both parametric and non-parametric models advantageously to model the streamflows effectively. Despite many of these developments that have taken place in the field of stochastic modeling of streamflows over the last four decades, accurate prediction of the storage and the critical drought characteristics has been posing a persistent challenge to the stochastic modeler. This is partly because, usually, the stochastic streamflow model parameters are estimated by minimizing a statistically based objective function (such as maximum likelihood (MLE) or least squares (LS) estimation) and subsequently the efficacy of the models is being validated based on the accuracy of prediction of the estimates of the water-use characteristics, which requires large number of trial simulations and inspection of many plots and tables. Still accurate prediction of the storage and the critical drought characteristics may not be ensured. In this study a multi-objective optimization framework is proposed to find the optimal hybrid model (blend of a simple parametric model, PAR(1) model and matched block bootstrap (MABB) ) based on the explicit objective functions of minimizing the relative bias and relative root mean square error in estimating the storage capacity of the reservoir. The optimal parameter set of the hybrid model is obtained based on the search over a multi- dimensional parameter space (involving simultaneous exploration of the parametric (PAR(1)) as well as the non-parametric (MABB) components). This is achieved using the efficient evolutionary search based optimization tool namely, non-dominated sorting genetic algorithm - II (NSGA-II). This approach helps in reducing the drudgery involved in the process of manual selection of the hybrid model, in addition to predicting the basic summary statistics dependence structure, marginal distribution and water-use characteristics accurately. The proposed optimization framework is used to model the multi-season streamflows of River Beaver and River Weber of USA. In case of both the rivers, the proposed GA-based hybrid model yields a much better prediction of the storage capacity (where simultaneous exploration of both parametric and non-parametric components is done) when compared with the MLE-based hybrid models (where the hybrid model selection is done in two stages, thus probably resulting in a sub-optimal model). This framework can be further extended to include different linear/non-linear hybrid stochastic models at other temporal and spatial scales as well.

Probing kinematics and fate of the Universe with linearly time-varying deceleration parameter

NASA Astrophysics Data System (ADS)

Akarsu, Özgür; Dereli, Tekin; Kumar, Suresh; Xu, Lixin

2014-02-01

The parametrizations q = q 0+ q 1 z and q = q 0+ q 1(1 - a/ a 0) (Chevallier-Polarski-Linder parametrization) of the deceleration parameter, which are linear in cosmic redshift z and scale factor a , have been frequently utilized in the literature to study the kinematics of the Universe. In this paper, we follow a strategy that leads to these two well-known parametrizations of the deceleration parameter as well as an additional new parametrization, q = q 0+ q 1(1 - t/ t 0), which is linear in cosmic time t. We study the features of this linearly time-varying deceleration parameter in contrast with the other two linear parametrizations. We investigate in detail the kinematics of the Universe by confronting the three models with the latest observational data. We further study the dynamics of the Universe by considering the linearly time-varying deceleration parameter model in comparison with the standard ΛCDM model. We also discuss the future of the Universe in the context of the models under consideration.

Latent component-based gear tooth fault detection filter using advanced parametric modeling

NASA Astrophysics Data System (ADS)

Ettefagh, M. M.; Sadeghi, M. H.; Rezaee, M.; Chitsaz, S.

2009-10-01

In this paper, a new parametric model-based filter is proposed for gear tooth fault detection. The designing of the filter consists of identifying the most proper latent component (LC) of the undamaged gearbox signal by analyzing the instant modules (IMs) and instant frequencies (IFs) and then using the component with lowest IM as the proposed filter output for detecting fault of the gearbox. The filter parameters are estimated by using the LC theory in which an advanced parametric modeling method has been implemented. The proposed method is applied on the signals, extracted from simulated gearbox for detection of the simulated gear faults. In addition, the method is used for quality inspection of the produced Nissan-Junior vehicle gearbox by gear profile error detection in an industrial test bed. For evaluation purpose, the proposed method is compared with the previous parametric TAR/AR-based filters in which the parametric model residual is considered as the filter output and also Yule-Walker and Kalman filter are implemented for estimating the parameters. The results confirm the high performance of the new proposed fault detection method.

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

PubMed

Wu, Jianrong

2015-01-01

The current practice of designing single-arm phase II survival trials is limited under the exponential model. Trial design under the exponential model may not be appropriate when a portion of patients are cured. There is no literature available for designing single-arm phase II trials under the parametric cure model. In this paper, a test statistic is proposed, and a sample size formula is derived for designing single-arm phase II trials under a class of parametric cure models. Extensive simulations showed that the proposed test and sample size formula perform very well under different scenarios. Copyright © 2015 John Wiley & Sons, Ltd.

Nonlinear time-periodic models of the longitudinal flight dynamics of desert locusts Schistocerca gregaria

PubMed Central

Taylor, Graham K; Żbikowski, Rafał

2005-01-01

Previous studies of insect flight control have been statistical in approach, simply correlating wing kinematics with body kinematics or force production. Kinematics and forces are linked by Newtonian mechanics, so adopting a dynamics-based approach is necessary if we are to place the study of insect flight on its proper physical footing. Here we develop semi-empirical models of the longitudinal flight dynamics of desert locusts Schistocerca gregaria. We use instantaneous force–moment measurements from individual locusts to parametrize the nonlinear rigid body equations of motion. Since the instantaneous forces are approximately periodic, we represent them using Fourier series, which are embedded in the equations of motion to give a nonlinear time-periodic (NLTP) model. This is a proper mathematical generalization of an earlier linear-time invariant (LTI) model of locust flight dynamics, developed using previously published time-averaged versions of the instantaneous force recordings. We perform various numerical simulations, within the fitted range of the model, and across the range of body angles used by free-flying locusts, to explore the likely behaviour of the locusts upon release from the tether. Solutions of the NLTP models are compared with solutions of the nonlinear time-invariant (NLTI) models to which they reduce when the periodic terms are dropped. Both sets of models are unstable and therefore fail to explain locust flight stability fully. Nevertheless, whereas the measured forces include statistically significant harmonic content up to about the eighth harmonic, the simulated flight trajectories display no harmonic content above the fundamental forcing frequency. Hence, manoeuvre control in locusts will not directly reflect subtle changes in the higher harmonics of the wing beat, but must operate on a coarser time-scale. A state-space analysis of the NLTP models reveals orbital trajectories that are impossible to capture in the LTI and NLTI models, and inspires the hypothesis that asymptotic orbital stability is the proper definition of stability in flapping flight. Manoeuvre control on the scale of more than one wing beat would then consist in exciting transients from one asymptotically stable orbit to another. We summarize these hypotheses by proposing a limit-cycle analogy for flapping flight control and suggest experiments for verification of the limit-cycle control analogy hypothesis. PMID:16849180

Impact of state updating and multi-parametric ensemble for streamflow hindcasting in European river basins

NASA Astrophysics Data System (ADS)

Noh, S. J.; Rakovec, O.; Kumar, R.; Samaniego, L. E.

2015-12-01

Accurate and reliable streamflow prediction is essential to mitigate social and economic damage coming from water-related disasters such as flood and drought. Sequential data assimilation (DA) may facilitate improved streamflow prediction using real-time observations to correct internal model states. In conventional DA methods such as state updating, parametric uncertainty is often ignored mainly due to practical limitations of methodology to specify modeling uncertainty with limited ensemble members. However, if parametric uncertainty related with routing and runoff components is not incorporated properly, predictive uncertainty by model ensemble may be insufficient to capture dynamics of observations, which may deteriorate predictability. Recently, a multi-scale parameter regionalization (MPR) method was proposed to make hydrologic predictions at different scales using a same set of model parameters without losing much of the model performance. The MPR method incorporated within the mesoscale hydrologic model (mHM, http://www.ufz.de/mhm) could effectively represent and control uncertainty of high-dimensional parameters in a distributed model using global parameters. In this study, we evaluate impacts of streamflow data assimilation over European river basins. Especially, a multi-parametric ensemble approach is tested to consider the effects of parametric uncertainty in DA. Because augmentation of parameters is not required within an assimilation window, the approach could be more stable with limited ensemble members and have potential for operational uses. To consider the response times and non-Gaussian characteristics of internal hydrologic processes, lagged particle filtering is utilized. The presentation will be focused on gains and limitations of streamflow data assimilation and multi-parametric ensemble method over large-scale basins.

Elastic full-waveform inversion and parametrization analysis applied to walk-away vertical seismic profile data for unconventional (heavy oil) reservoir characterization

NASA Astrophysics Data System (ADS)

Pan, Wenyong; Innanen, Kristopher A.; Geng, Yu

2018-06-01

Seismic full-waveform inversion (FWI) methods hold strong potential to recover multiple subsurface elastic properties for hydrocarbon reservoir characterization. Simultaneously updating multiple physical parameters introduces the problem of interparameter trade-off, arising from the simultaneous variations of different physical parameters, which increase the nonlinearity and uncertainty of multiparameter FWI. The coupling effects of different physical parameters are significantly influenced by model parametrization and acquisition arrangement. An appropriate choice of model parametrization is important to successful field data applications of multiparameter FWI. The objective of this paper is to examine the performance of various model parametrizations in isotropic-elastic FWI with walk-away vertical seismic profile (W-VSP) data for unconventional heavy oil reservoir characterization. Six model parametrizations are considered: velocity-density (α, β and ρ΄), modulus-density (κ, μ and ρ), Lamé-density (λ, μ΄ and ρ‴), impedance-density (IP, IS and ρ″), velocity-impedance-I (α΄, β΄ and I_P^' }) and velocity-impedance-II (α″, β″ and I_S^' }). We begin analysing the interparameter trade-off by making use of scattering radiation patterns, which is a common strategy for qualitative parameter resolution analysis. We discuss the advantages and limitations of the scattering radiation patterns and recommend that interparameter trade-offs be evaluated using interparameter contamination kernels, which provide quantitative, second-order measurements of the interparameter contaminations and can be constructed efficiently with an adjoint-state approach. Synthetic W-VSP isotropic-elastic FWI experiments in the time domain verify our conclusions about interparameter trade-offs for various model parametrizations. Density profiles are most strongly influenced by the interparameter contaminations; depending on model parametrization, the inverted density profile can be overestimated, underestimated or spatially distorted. Among the six cases, only the velocity-density parametrization provides stable and informative density features not included in the starting model. Field data applications of multicomponent W-VSP isotropic-elastic FWI in the time domain were also carried out. The heavy oil reservoir target zone, characterized by low α-to-β ratios and low Poisson's ratios, can be identified clearly with the inverted isotropic-elastic parameters.

Modelling and multi-parametric control for delivery of anaesthetic agents.

PubMed

Dua, Pinky; Dua, Vivek; Pistikopoulos, Efstratios N

2010-06-01

This article presents model predictive controllers (MPCs) and multi-parametric model-based controllers for delivery of anaesthetic agents. The MPC can take into account constraints on drug delivery rates and state of the patient but requires solving an optimization problem at regular time intervals. The multi-parametric controller has all the advantages of the MPC and does not require repetitive solution of optimization problem for its implementation. This is achieved by obtaining the optimal drug delivery rates as a set of explicit functions of the state of the patient. The derivation of the controllers relies on using detailed models of the system. A compartmental model for the delivery of three drugs for anaesthesia is developed. The key feature of this model is that mean arterial pressure, cardiac output and unconsciousness of the patient can be simultaneously regulated. This is achieved by using three drugs: dopamine (DP), sodium nitroprusside (SNP) and isoflurane. A number of dynamic simulation experiments are carried out for the validation of the model. The model is then used for the design of model predictive and multi-parametric controllers, and the performance of the controllers is analyzed.

Software Reliability 2002

NASA Technical Reports Server (NTRS)

Wallace, Dolores R.

2003-01-01

In FY01 we learned that hardware reliability models need substantial changes to account for differences in software, thus making software reliability measurements more effective, accurate, and easier to apply. These reliability models are generally based on familiar distributions or parametric methods. An obvious question is 'What new statistical and probability models can be developed using non-parametric and distribution-free methods instead of the traditional parametric method?" Two approaches to software reliability engineering appear somewhat promising. The first study, begin in FY01, is based in hardware reliability, a very well established science that has many aspects that can be applied to software. This research effort has investigated mathematical aspects of hardware reliability and has identified those applicable to software. Currently the research effort is applying and testing these approaches to software reliability measurement, These parametric models require much project data that may be difficult to apply and interpret. Projects at GSFC are often complex in both technology and schedules. Assessing and estimating reliability of the final system is extremely difficult when various subsystems are tested and completed long before others. Parametric and distribution free techniques may offer a new and accurate way of modeling failure time and other project data to provide earlier and more accurate estimates of system reliability.

Parametric study of closed wet cooling tower thermal performance

NASA Astrophysics Data System (ADS)

Qasim, S. M.; Hayder, M. J.

2017-08-01

The present study involves experimental and theoretical analysis to evaluate the thermal performance of modified Closed Wet Cooling Tower (CWCT). The experimental study includes: design, manufacture and testing prototype of a modified counter flow forced draft CWCT. The modification based on addition packing to the conventional CWCT. A series of experiments was carried out at different operational parameters. In view of energy analysis, the thermal performance parameters of the tower are: cooling range, tower approach, cooling capacity, thermal efficiency, heat and mass transfer coefficients. The theoretical study included develops Artificial Neural Network (ANN) models to predicting various thermal performance parameters of the tower. Utilizing experimental data for training and testing, the models simulated by multi-layer back propagation algorithm for varying all operational parameters stated in experimental test.

Design of a Shape Memory Alloy deployment hinge for reflector facets

NASA Technical Reports Server (NTRS)

Anders, W. S.; Rogers, C. A.

1991-01-01

A design concept for a Shape Memory Alloy (SMA) actuated hinge mechanism for deploying segmented facet-type reflector surfaces on antenna truss structures is presented. The mechanism uses nitinol, a nickel-titanium shape memory alloy, as a displacement-force micro-actuator. An electrical current is used to resistively heat a 'plastically' elongated SMA actuator wire, causing it to contract in response to a thermally-induced phase transformation. The resulting tension creates a moment, imparting rotary motion between two adjacent panels. Mechanical stops are designed into the device to limit its range of motion and to establish positioning accuracy at the termination of deployment. The concept and its operation are discussed in detail, and an analytical dynamic simulation model is presented. The model has been used to perform nondimensionalized parametric design studies.

Uncertainty Propagation of Non-Parametric-Derived Precipitation Estimates into Multi-Hydrologic Model Simulations

NASA Astrophysics Data System (ADS)

Bhuiyan, M. A. E.; Nikolopoulos, E. I.; Anagnostou, E. N.

2017-12-01

Quantifying the uncertainty of global precipitation datasets is beneficial when using these precipitation products in hydrological applications, because precipitation uncertainty propagation through hydrologic modeling can significantly affect the accuracy of the simulated hydrologic variables. In this research the Iberian Peninsula has been used as the study area with a study period spanning eleven years (2000-2010). This study evaluates the performance of multiple hydrologic models forced with combined global rainfall estimates derived based on a Quantile Regression Forests (QRF) technique. In QRF technique three satellite precipitation products (CMORPH, PERSIANN, and 3B42 (V7)); an atmospheric reanalysis precipitation and air temperature dataset; satellite-derived near-surface daily soil moisture data; and a terrain elevation dataset are being utilized in this study. A high-resolution, ground-based observations driven precipitation dataset (named SAFRAN) available at 5 km/1 h resolution is used as reference. Through the QRF blending framework the stochastic error model produces error-adjusted ensemble precipitation realizations, which are used to force four global hydrological models (JULES (Joint UK Land Environment Simulator), WaterGAP3 (Water-Global Assessment and Prognosis), ORCHIDEE (Organizing Carbon and Hydrology in Dynamic Ecosystems) and SURFEX (Stands for Surface Externalisée) ) to simulate three hydrologic variables (surface runoff, subsurface runoff and evapotranspiration). The models are forced with the reference precipitation to generate reference-based hydrologic simulations. This study presents a comparative analysis of multiple hydrologic model simulations for different hydrologic variables and the impact of the blending algorithm on the simulated hydrologic variables. Results show how precipitation uncertainty propagates through the different hydrologic model structures to manifest in reduction of error in hydrologic variables.

Quantifying parametric uncertainty in the Rothermel model

Treesearch

S. Goodrick

2008-01-01

The purpose of the present work is to quantify parametric uncertainty in the Rothermel wildland fire spreadmodel (implemented in software such as fire spread models in the United States. This model consists of a non-linear system of equations that relates environmentalvariables (input parameter groups...

Simulation of parametric model towards the fixed covariate of right censored lung cancer data

NASA Astrophysics Data System (ADS)

Afiqah Muhamad Jamil, Siti; Asrul Affendi Abdullah, M.; Kek, Sie Long; Ridwan Olaniran, Oyebayo; Enera Amran, Syahila

2017-09-01

In this study, simulation procedure was applied to measure the fixed covariate of right censored data by using parametric survival model. The scale and shape parameter were modified to differentiate the analysis of parametric regression survival model. Statistically, the biases, mean biases and the coverage probability were used in this analysis. Consequently, different sample sizes were employed to distinguish the impact of parametric regression model towards right censored data with 50, 100, 150 and 200 number of sample. R-statistical software was utilised to develop the coding simulation with right censored data. Besides, the final model of right censored simulation was compared with the right censored lung cancer data in Malaysia. It was found that different values of shape and scale parameter with different sample size, help to improve the simulation strategy for right censored data and Weibull regression survival model is suitable fit towards the simulation of survival of lung cancer patients data in Malaysia.

Distributed support modelling for vertical track dynamic analysis

NASA Astrophysics Data System (ADS)

Blanco, B.; Alonso, A.; Kari, L.; Gil-Negrete, N.; Giménez, J. G.

2018-04-01

The finite length nature of rail-pad supports is characterised by a Timoshenko beam element formulation over an elastic foundation, giving rise to the distributed support element. The new element is integrated into a vertical track model, which is solved in frequency and time domain. The developed formulation is obtained by solving the governing equations of a Timoshenko beam for this particular case. The interaction between sleeper and rail via the elastic connection is considered in an analytical, compact and efficient way. The modelling technique results in realistic amplitudes of the 'pinned-pinned' vibration mode and, additionally, it leads to a smooth evolution of the contact force temporal response and to reduced amplitudes of the rail vertical oscillation, as compared to the results from concentrated support models. Simulations are performed for both parametric and sinusoidal roughness excitation. The model of support proposed here is compared with a previous finite length model developed by other authors, coming to the conclusion that the proposed model gives accurate results at a reduced computational cost.

Parametric modeling studies of turbulent non-premixed jet flames with thin reaction zones

NASA Astrophysics Data System (ADS)

Wang, Haifeng

2013-11-01

The Sydney piloted jet flame series (Flames L, B, and M) feature thinner reaction zones and hence impose greater challenges to modeling than the Sanida Piloted jet flames (Flames D, E, and F). Recently, the Sydney flames received renewed interest due to these challenges. Several new modeling efforts have emerged. However, no systematic parametric modeling studies have been reported for the Sydney flames. A large set of modeling computations of the Sydney flames is presented here by using the coupled large eddy simulation (LES)/probability density function (PDF) method. Parametric studies are performed to gain insight into the model performance, its sensitivity and the effect of numerics.

Casimir effect and graphene: Tunability, scalability, Casimir rotor

NASA Astrophysics Data System (ADS)

Martinez, J. C.; Chen, X.; Jalil, M. B. A.

2018-01-01

We study the combined effects of separated parallel disks, birefringence and surface currents on the Casimir force and torque. All three contribute to the Casimir force and surface currents from graphene permit tuning and switching from attraction to repulsion thus allowing for an oscillating Casimir force which can be relevant to parametric amplification applications. Only the latter two contribute to the Casimir torque and their combined effect can enhance the torque by at least tenfold (possibly more) compared to that due to birefringence alone, a hint at a scalable Casimir torque. We also consider a feasible non-contact rotor.

Parametric estimation for reinforced concrete relief shelter for Aceh cases

NASA Astrophysics Data System (ADS)

Atthaillah; Saputra, Eri; Iqbal, Muhammad

2018-05-01

This paper was a work in progress (WIP) to discover a rapid parametric framework for post-disaster permanent shelter’s materials estimation. The intended shelters were reinforced concrete construction with bricks as its wall. Inevitably, in post-disaster cases, design variations were needed to help suited victims condition. It seemed impossible to satisfy a beneficiary with a satisfactory design utilizing the conventional method. This study offered a parametric framework to overcome slow construction-materials estimation issue against design variations. Further, this work integrated parametric tool, which was Grasshopper to establish algorithms that simultaneously model, visualize, calculate and write the calculated data to a spreadsheet in a real-time. Some customized Grasshopper components were created using GHPython scripting for a more optimized algorithm. The result from this study was a partial framework that successfully performed modeling, visualization, calculation and writing the calculated data simultaneously. It meant design alterations did not escalate time needed for modeling, visualization, and material estimation. Further, the future development of the parametric framework will be made open source.

Performance characteristics of a thermal energy storage module - A transient PCM/forced convection conjugate analysis

NASA Technical Reports Server (NTRS)

Cao, Y.; Faghri, A.

1991-01-01

The performance of a thermal energy storage module is simulated numerically. The change of phase of the phase-change material (PCM) and the transient forced convective heat transfer for the transfer fluid with low Prandtl numbers are solved simultaneously as a conjugate problem. A parametric study and a system optimization are conducted. The numerical results show that module geometry is crucial to the design of a space-based thermal energy storage system.

Parametric Investigation of the Effect of Hub Pitching Moment on Blade Vortex Interaction (BVI) Noise of an Isolated Rotor

NASA Technical Reports Server (NTRS)

Malpica, Carlos; Greenwood, Eric; Sim, Ben

2016-01-01

At the most fundamental level, main rotor loading noise is caused by the harmonically-varying aerodynamic loads (acoustic pressures) exerted by the rotating blades on the air. Rotorcraft main rotor noise is therefore, in principle, a function of rotor control inputs, and thus the forces and moments required to achieve steady, or "trim", flight equilibrium. In certain flight conditions, the ensuing aerodynamic loading on the rotor(s) can result in highly obtrusive harmonic noise. The effect of the propulsive force, or X-force, on Blade-Vortex Interaction (BVI) noise is well documented. This paper presents an acoustics parametric sensitivity analysis of the effect of varying rotor aerodynamic pitch hub trim moments on BVI noise radiated by an S-70 helicopter main rotor. Results show that changing the hub pitching moment for an isolated rotor, trimmed in nominal 80 knot, 6 and 12 deg descent, flight conditions, alters the miss distance between the blades and the vortex in ways that have varied and noticeable effects on the BVI radiated-noise directionality. Peak BVI noise level is however not significantly altered. The application of hub pitching moment allows the attitude of the fuselage to be controlled; for example, to compensate for the uncomfortable change in fuselage pitch attitude introduced by a fuselage-mounted X-force controller.

Regional vertical total electron content (VTEC) modeling together with satellite and receiver differential code biases (DCBs) using semi-parametric multivariate adaptive regression B-splines (SP-BMARS)

NASA Astrophysics Data System (ADS)

Durmaz, Murat; Karslioglu, Mahmut Onur

2015-04-01

There are various global and regional methods that have been proposed for the modeling of ionospheric vertical total electron content (VTEC). Global distribution of VTEC is usually modeled by spherical harmonic expansions, while tensor products of compactly supported univariate B-splines can be used for regional modeling. In these empirical parametric models, the coefficients of the basis functions as well as differential code biases (DCBs) of satellites and receivers can be treated as unknown parameters which can be estimated from geometry-free linear combinations of global positioning system observables. In this work we propose a new semi-parametric multivariate adaptive regression B-splines (SP-BMARS) method for the regional modeling of VTEC together with satellite and receiver DCBs, where the parametric part of the model is related to the DCBs as fixed parameters and the non-parametric part adaptively models the spatio-temporal distribution of VTEC. The latter is based on multivariate adaptive regression B-splines which is a non-parametric modeling technique making use of compactly supported B-spline basis functions that are generated from the observations automatically. This algorithm takes advantage of an adaptive scale-by-scale model building strategy that searches for best-fitting B-splines to the data at each scale. The VTEC maps generated from the proposed method are compared numerically and visually with the global ionosphere maps (GIMs) which are provided by the Center for Orbit Determination in Europe (CODE). The VTEC values from SP-BMARS and CODE GIMs are also compared with VTEC values obtained through calibration using local ionospheric model. The estimated satellite and receiver DCBs from the SP-BMARS model are compared with the CODE distributed DCBs. The results show that the SP-BMARS algorithm can be used to estimate satellite and receiver DCBs while adaptively and flexibly modeling the daily regional VTEC.

Geometric Model for a Parametric Study of the Blended-Wing-Body Airplane

NASA Technical Reports Server (NTRS)

Mastin, C. Wayne; Smith, Robert E.; Sadrehaghighi, Ideen; Wiese, Micharl R.

1996-01-01

A parametric model is presented for the blended-wing-body airplane, one concept being proposed for the next generation of large subsonic transports. The model is defined in terms of a small set of parameters which facilitates analysis and optimization during the conceptual design process. The model is generated from a preliminary CAD geometry. From this geometry, airfoil cross sections are cut at selected locations and fitted with analytic curves. The airfoils are then used as boundaries for surfaces defined as the solution of partial differential equations. Both the airfoil curves and the surfaces are generated with free parameters selected to give a good representation of the original geometry. The original surface is compared with the parametric model, and solutions of the Euler equations for compressible flow are computed for both geometries. The parametric model is a good approximation of the CAD model and the computed solutions are qualitatively similar. An optimal NURBS approximation is constructed and can be used by a CAD model for further refinement or modification of the original geometry.

Algorithms and Parametric Studies for Assessing Effects of Two-Point Contact

DOT National Transportation Integrated Search

1984-02-01

This report describes analyses conducted to assess the effects of two-point wheel rail contact on a single wheel on the prediction of wheel-rail forces, and for including these effects in a computer program for predicting curving behavior of rail veh...

Impacts of Advanced Manufacturing Technology on Parametric Estimating

DTIC Science & Technology

1989-12-01

been build ( Blois , p. 65). As firms move up the levels of automation, there is a large capital investment to acquire robots, computer numerically...Affordable Acquisition Approach Study, Executive Summary, Air Force Systems Command, Andrews AFB, Maryland, February 9, 1983. Blois , K.J., "Manufacturing

Parametric Transformation Analysis

NASA Technical Reports Server (NTRS)

Gary, G. Allan

2003-01-01

Because twisted coronal features are important proxies for predicting solar eruptive events, and, yet not clearly understood, we present new results to resolve the complex, non-potential magnetic field configurations of active regions. This research uses free-form deformation mathematics to generate the associated coronal magnetic field. We use a parametric representation of the magnetic field lines such that the field lines can be manipulated to match the structure of EUV and SXR coronal loops. The objective is to derive sigmoidal magnetic field solutions which allows the beta greater than 1 regions to be included, aligned and non-aligned electric currents to be calculated, and the Lorentz force to be determined. The advantage of our technique is that the solution is independent of the unknown upper and side boundary conditions, allows non-vanishing magnetic forces, and provides a global magnetic field solution, which contains high- and low-beta regimes and is consistent with all the coronal images of the region. We show that the mathematical description is unique and physical.

Laser-Bioplasma Interaction: The Blood Type Transmutation Induced by Multiple Ultrashort Wavelength Laser Beams

NASA Astrophysics Data System (ADS)

Stefan, V. Alexander

2015-11-01

The interaction of ultrashort wavelength multi laser beams with the flowing blood thin films leads to the transmutation of the blood types A, B, and AB into O type. This is a novel mechanism of importance for the transfusion medicine. Laser radiation is in resonance with the eigen-frequency modes of the antigen proteins and forces the proteins to parametrically oscillate until they get kicked out from the surface. The stripping away of antigens is done by the scanning-multiple-lasers of a high repetition rate in the blue-purple frequency domain. The guiding-lasers are in the red-green frequency domain. The laser force, (parametric interaction with the antigen eigen-oscillation), upon the antigen protein molecule must exceed its weight. The scanning laser beam is partially reflected as long as the antigen(s) is not eliminated. The process of the protein detachment can last a few minutes. Supported by Nikola Tesla Labs., Stefan University.

Relativistic force field: parametric computations of proton-proton coupling constants in (1)H NMR spectra.

PubMed

Kutateladze, Andrei G; Mukhina, Olga A

2014-09-05

Spin-spin coupling constants in (1)H NMR carry a wealth of structural information and offer a powerful tool for deciphering molecular structures. However, accurate ab initio or DFT calculations of spin-spin coupling constants have been very challenging and expensive. Scaling of (easy) Fermi contacts, fc, especially in the context of recent findings by Bally and Rablen (Bally, T.; Rablen, P. R. J. Org. Chem. 2011, 76, 4818), offers a framework for achieving practical evaluation of spin-spin coupling constants. We report a faster and more precise parametrization approach utilizing a new basis set for hydrogen atoms optimized in conjunction with (i) inexpensive B3LYP/6-31G(d) molecular geometries, (ii) inexpensive 4-31G basis set for carbon atoms in fc calculations, and (iii) individual parametrization for different atom types/hybridizations, not unlike a force field in molecular mechanics, but designed for the fc's. With the training set of 608 experimental constants we achieved rmsd <0.19 Hz. The methodology performs very well as we illustrate with a set of complex organic natural products, including strychnine (rmsd 0.19 Hz), morphine (rmsd 0.24 Hz), etc. This precision is achieved with much shorter computational times: accurate spin-spin coupling constants for the two conformers of strychnine were computed in parallel on two 16-core nodes of a Linux cluster within 10 min.

Non-parametric wall model and methods of identifying boundary conditions for moments in gas flow equations

NASA Astrophysics Data System (ADS)

Liao, Meng; To, Quy-Dong; Léonard, Céline; Monchiet, Vincent

2018-03-01

In this paper, we use the molecular dynamics simulation method to study gas-wall boundary conditions. Discrete scattering information of gas molecules at the wall surface is obtained from collision simulations. The collision data can be used to identify the accommodation coefficients for parametric wall models such as Maxwell and Cercignani-Lampis scattering kernels. Since these scattering kernels are based on a limited number of accommodation coefficients, we adopt non-parametric statistical methods to construct the kernel to overcome these issues. Different from parametric kernels, the non-parametric kernels require no parameter (i.e. accommodation coefficients) and no predefined distribution. We also propose approaches to derive directly the Navier friction and Kapitza thermal resistance coefficients as well as other interface coefficients associated with moment equations from the non-parametric kernels. The methods are applied successfully to systems composed of CH4 or CO2 and graphite, which are of interest to the petroleum industry.

Can nudging be used to quantify model sensitivities in precipitation and cloud forcing?

NASA Astrophysics Data System (ADS)

Lin, Guangxing; Wan, Hui; Zhang, Kai; Qian, Yun; Ghan, Steven J.

2016-09-01

Efficient simulation strategies are crucial for the development and evaluation of high-resolution climate models. This paper evaluates simulations with constrained meteorology for the quantification of parametric sensitivities in the Community Atmosphere Model version 5 (CAM5). Two parameters are perturbed as illustrating examples: the convection relaxation time scale (TAU), and the threshold relative humidity for the formation of low-level stratiform clouds (rhminl). Results suggest that the fidelity of the constrained simulations depends on the detailed implementation of nudging and the mechanism through which the perturbed parameter affects precipitation and cloud. The relative computational costs of nudged and free-running simulations are determined by the magnitude of internal variability in the physical quantities of interest, as well as the magnitude of the parameter perturbation. In the case of a strong perturbation in convection, temperature, and/or wind nudging with a 6 h relaxation time scale leads to nonnegligible side effects due to the distorted interactions between resolved dynamics and parameterized convection, while 1 year free-running simulations can satisfactorily capture the annual mean precipitation and cloud forcing sensitivities. In the case of a relatively weak perturbation in the large-scale condensation scheme, results from 1 year free-running simulations are strongly affected by natural noise, while nudging winds effectively reduces the noise, and reasonably reproduces the sensitivities. These results indicate that caution is needed when using nudged simulations to assess precipitation and cloud forcing sensitivities to parameter changes in general circulation models. We also demonstrate that ensembles of short simulations are useful for understanding the evolution of model sensitivities.

Maximum Marginal Likelihood Estimation of a Monotonic Polynomial Generalized Partial Credit Model with Applications to Multiple Group Analysis.

PubMed

Falk, Carl F; Cai, Li

2016-06-01

We present a semi-parametric approach to estimating item response functions (IRF) useful when the true IRF does not strictly follow commonly used functions. Our approach replaces the linear predictor of the generalized partial credit model with a monotonic polynomial. The model includes the regular generalized partial credit model at the lowest order polynomial. Our approach extends Liang's (A semi-parametric approach to estimate IRFs, Unpublished doctoral dissertation, 2007) method for dichotomous item responses to the case of polytomous data. Furthermore, item parameter estimation is implemented with maximum marginal likelihood using the Bock-Aitkin EM algorithm, thereby facilitating multiple group analyses useful in operational settings. Our approach is demonstrated on both educational and psychological data. We present simulation results comparing our approach to more standard IRF estimation approaches and other non-parametric and semi-parametric alternatives.

The influence of a time-varying least squares parametric model when estimating SFOAEs evoked with swept-frequency tones

NASA Astrophysics Data System (ADS)

Hajicek, Joshua J.; Selesnick, Ivan W.; Henin, Simon; Talmadge, Carrick L.; Long, Glenis R.

2018-05-01

Stimulus frequency otoacoustic emissions (SFOAEs) were evoked and estimated using swept-frequency tones with and without the use of swept suppressor tones. SFOAEs were estimated using a least-squares fitting procedure. The estimated SFOAEs for the two paradigms (with- and without-suppression) were similar in amplitude and phase. The fitting procedure minimizes the square error between a parametric model of total ear-canal pressure (with unknown amplitudes and phases) and ear-canal pressure acquired during each paradigm. Modifying the parametric model to allow SFOAE amplitude and phase to vary over time revealed additional amplitude and phase fine structure in the without-suppressor, but not the with-suppressor paradigm. The use of a time-varying parametric model to estimate SFOAEs without-suppression may provide additional information about cochlear mechanics not available when using a with-suppressor paradigm.

Parametric instabilities of rotor-support systems with application to industrial ventilators

NASA Technical Reports Server (NTRS)

Parszewski, Z.; Krodkiemski, T.; Marynowski, K.

1980-01-01

Rotor support systems interaction with parametric excitation is considered for both unequal principal shaft stiffness (generators) and offset disc rotors (ventilators). Instability regions and types of instability are computed in the first case, and parametric resonances in the second case. Computed and experimental results are compared for laboratory machine models. A field case study of parametric vibrations in industrial ventilators is reported. Computed parametric resonances are confirmed in field measurements, and some industrial failures are explained. Also the dynamic influence and gyroscopic effect of supporting structures are shown and computed.

Parametric robust control and system identification: Unified approach

NASA Technical Reports Server (NTRS)

Keel, Leehyun

1994-01-01

Despite significant advancement in the area of robust parametric control, the problem of synthesizing such a controller is still a wide open problem. Thus, we attempt to give a solution to this important problem. Our approach captures the parametric uncertainty as an H(sub infinity) unstructured uncertainty so that H(sub infinity) synthesis techniques are applicable. Although the techniques cannot cope with the exact parametric uncertainty, they give a reasonable guideline to model the unstructured uncertainty that contains the parametric uncertainty. An additional loop shaping technique is also introduced to relax its conservatism.

Cardiac-gated parametric images from 82 Rb PET from dynamic frames and direct 4D reconstruction.

PubMed

Germino, Mary; Carson, Richard E

2018-02-01

Cardiac perfusion PET data can be reconstructed as a dynamic sequence and kinetic modeling performed to quantify myocardial blood flow, or reconstructed as static gated images to quantify function. Parametric images from dynamic PET are conventionally not gated, to allow use of all events with lower noise. An alternative method for dynamic PET is to incorporate the kinetic model into the reconstruction algorithm itself, bypassing the generation of a time series of emission images and directly producing parametric images. So-called "direct reconstruction" can produce parametric images with lower noise than the conventional method because the noise distribution is more easily modeled in projection space than in image space. In this work, we develop direct reconstruction of cardiac-gated parametric images for 82 Rb PET with an extension of the Parametric Motion compensation OSEM List mode Algorithm for Resolution-recovery reconstruction for the one tissue model (PMOLAR-1T). PMOLAR-1T was extended to accommodate model terms to account for spillover from the left and right ventricles into the myocardium. The algorithm was evaluated on a 4D simulated 82 Rb dataset, including a perfusion defect, as well as a human 82 Rb list mode acquisition. The simulated list mode was subsampled into replicates, each with counts comparable to one gate of a gated acquisition. Parametric images were produced by the indirect (separate reconstructions and modeling) and direct methods for each of eight low-count and eight normal-count replicates of the simulated data, and each of eight cardiac gates for the human data. For the direct method, two initialization schemes were tested: uniform initialization, and initialization with the filtered iteration 1 result of the indirect method. For the human dataset, event-by-event respiratory motion compensation was included. The indirect and direct methods were compared for the simulated dataset in terms of bias and coefficient of variation as a function of iteration. Convergence of direct reconstruction was slow with uniform initialization; lower bias was achieved in fewer iterations by initializing with the filtered indirect iteration 1 images. For most parameters and regions evaluated, the direct method achieved the same or lower absolute bias at matched iteration as the indirect method, with 23%-65% lower noise. Additionally, the direct method gave better contrast between the perfusion defect and surrounding normal tissue than the indirect method. Gated parametric images from the human dataset had comparable relative performance of indirect and direct, in terms of mean parameter values per iteration. Changes in myocardial wall thickness and blood pool size across gates were readily visible in the gated parametric images, with higher contrast between myocardium and left ventricle blood pool in parametric images than gated SUV images. Direct reconstruction can produce parametric images with less noise than the indirect method, opening the potential utility of gated parametric imaging for perfusion PET. © 2017 American Association of Physicists in Medicine.

Bifurcation analysis of delay-induced resonances of the El-Niño Southern Oscillation

PubMed Central

Krauskopf, Bernd; Sieber, Jan

2014-01-01

Models of global climate phenomena of low to intermediate complexity are very useful for providing an understanding at a conceptual level. An important aspect of such models is the presence of a number of feedback loops that feature considerable delay times, usually due to the time it takes to transport energy (for example, in the form of hot/cold air or water) around the globe. In this paper, we demonstrate how one can perform a bifurcation analysis of the behaviour of a periodically forced system with delay in dependence on key parameters. As an example, we consider the El-Niño Southern Oscillation (ENSO), which is a sea-surface temperature (SST) oscillation on a multi-year scale in the basin of the Pacific Ocean. One can think of ENSO as being generated by an interplay between two feedback effects, one positive and one negative, which act only after some delay that is determined by the speed of transport of SST anomalies across the Pacific. We perform here a case study of a simple delayed-feedback oscillator model for ENSO, which is parametrically forced by annual variation. More specifically, we use numerical bifurcation analysis tools to explore directly regions of delay-induced resonances and other stability boundaries in this delay-differential equation model for ENSO. PMID:25197254

The influence of vegetation height heterogeneity on forest and woodland bird species richness across the United States.

PubMed

Huang, Qiongyu; Swatantran, Anu; Dubayah, Ralph; Goetz, Scott J

2014-01-01

Avian diversity is under increasing pressures. It is thus critical to understand the ecological variables that contribute to large scale spatial distribution of avian species diversity. Traditionally, studies have relied primarily on two-dimensional habitat structure to model broad scale species richness. Vegetation vertical structure is increasingly used at local scales. However, the spatial arrangement of vegetation height has never been taken into consideration. Our goal was to examine the efficacies of three-dimensional forest structure, particularly the spatial heterogeneity of vegetation height in improving avian richness models across forested ecoregions in the U.S. We developed novel habitat metrics to characterize the spatial arrangement of vegetation height using the National Biomass and Carbon Dataset for the year 2000 (NBCD). The height-structured metrics were compared with other habitat metrics for statistical association with richness of three forest breeding bird guilds across Breeding Bird Survey (BBS) routes: a broadly grouped woodland guild, and two forest breeding guilds with preferences for forest edge and for interior forest. Parametric and non-parametric models were built to examine the improvement of predictability. Height-structured metrics had the strongest associations with species richness, yielding improved predictive ability for the woodland guild richness models (r(2) = ∼ 0.53 for the parametric models, 0.63 the non-parametric models) and the forest edge guild models (r(2) = ∼ 0.34 for the parametric models, 0.47 the non-parametric models). All but one of the linear models incorporating height-structured metrics showed significantly higher adjusted-r2 values than their counterparts without additional metrics. The interior forest guild richness showed a consistent low association with height-structured metrics. Our results suggest that height heterogeneity, beyond canopy height alone, supplements habitat characterization and richness models of forest bird species. The metrics and models derived in this study demonstrate practical examples of utilizing three-dimensional vegetation data for improved characterization of spatial patterns in species richness.

The Influence of Vegetation Height Heterogeneity on Forest and Woodland Bird Species Richness across the United States

PubMed Central

Huang, Qiongyu; Swatantran, Anu; Dubayah, Ralph; Goetz, Scott J.

2014-01-01

Avian diversity is under increasing pressures. It is thus critical to understand the ecological variables that contribute to large scale spatial distribution of avian species diversity. Traditionally, studies have relied primarily on two-dimensional habitat structure to model broad scale species richness. Vegetation vertical structure is increasingly used at local scales. However, the spatial arrangement of vegetation height has never been taken into consideration. Our goal was to examine the efficacies of three-dimensional forest structure, particularly the spatial heterogeneity of vegetation height in improving avian richness models across forested ecoregions in the U.S. We developed novel habitat metrics to characterize the spatial arrangement of vegetation height using the National Biomass and Carbon Dataset for the year 2000 (NBCD). The height-structured metrics were compared with other habitat metrics for statistical association with richness of three forest breeding bird guilds across Breeding Bird Survey (BBS) routes: a broadly grouped woodland guild, and two forest breeding guilds with preferences for forest edge and for interior forest. Parametric and non-parametric models were built to examine the improvement of predictability. Height-structured metrics had the strongest associations with species richness, yielding improved predictive ability for the woodland guild richness models (r2 = ∼0.53 for the parametric models, 0.63 the non-parametric models) and the forest edge guild models (r2 = ∼0.34 for the parametric models, 0.47 the non-parametric models). All but one of the linear models incorporating height-structured metrics showed significantly higher adjusted-r2 values than their counterparts without additional metrics. The interior forest guild richness showed a consistent low association with height-structured metrics. Our results suggest that height heterogeneity, beyond canopy height alone, supplements habitat characterization and richness models of forest bird species. The metrics and models derived in this study demonstrate practical examples of utilizing three-dimensional vegetation data for improved characterization of spatial patterns in species richness. PMID:25101782

The Impact of Three-Dimensional Effects on the Simulation of Turbulence Kinetic Energy in a Major Alpine Valley

NASA Astrophysics Data System (ADS)

Goger, Brigitta; Rotach, Mathias W.; Gohm, Alexander; Fuhrer, Oliver; Stiperski, Ivana; Holtslag, Albert A. M.

2018-02-01

The correct simulation of the atmospheric boundary layer (ABL) is crucial for reliable weather forecasts in truly complex terrain. However, common assumptions for model parametrizations are only valid for horizontally homogeneous and flat terrain. Here, we evaluate the turbulence parametrization of the numerical weather prediction model COSMO with a horizontal grid spacing of Δ x = 1.1 km for the Inn Valley, Austria. The long-term, high-resolution turbulence measurements of the i-Box measurement sites provide a useful data pool of the ABL structure in the valley and on slopes. We focus on days and nights when ABL processes dominate and a thermally-driven circulation is present. Simulations are performed for case studies with both a one-dimensional turbulence parametrization, which only considers the vertical turbulent exchange, and a hybrid turbulence parametrization, also including horizontal shear production and advection in the budget of turbulence kinetic energy (TKE). We find a general underestimation of TKE by the model with the one-dimensional turbulence parametrization. In the simulations with the hybrid turbulence parametrization, the modelled TKE has a more realistic structure, especially in situations when the TKE production is dominated by shear related to the afternoon up-valley flow, and during nights, when a stable ABL is present. The model performance also improves for stations on the slopes. An estimation of the horizontal shear production from the observation network suggests that three-dimensional effects are a relevant part of TKE production in the valley.

The Impact of Three-Dimensional Effects on the Simulation of Turbulence Kinetic Energy in a Major Alpine Valley

NASA Astrophysics Data System (ADS)

Goger, Brigitta; Rotach, Mathias W.; Gohm, Alexander; Fuhrer, Oliver; Stiperski, Ivana; Holtslag, Albert A. M.

2018-07-01

The correct simulation of the atmospheric boundary layer (ABL) is crucial for reliable weather forecasts in truly complex terrain. However, common assumptions for model parametrizations are only valid for horizontally homogeneous and flat terrain. Here, we evaluate the turbulence parametrization of the numerical weather prediction model COSMO with a horizontal grid spacing of Δ x = 1.1 km for the Inn Valley, Austria. The long-term, high-resolution turbulence measurements of the i-Box measurement sites provide a useful data pool of the ABL structure in the valley and on slopes. We focus on days and nights when ABL processes dominate and a thermally-driven circulation is present. Simulations are performed for case studies with both a one-dimensional turbulence parametrization, which only considers the vertical turbulent exchange, and a hybrid turbulence parametrization, also including horizontal shear production and advection in the budget of turbulence kinetic energy (TKE). We find a general underestimation of TKE by the model with the one-dimensional turbulence parametrization. In the simulations with the hybrid turbulence parametrization, the modelled TKE has a more realistic structure, especially in situations when the TKE production is dominated by shear related to the afternoon up-valley flow, and during nights, when a stable ABL is present. The model performance also improves for stations on the slopes. An estimation of the horizontal shear production from the observation network suggests that three-dimensional effects are a relevant part of TKE production in the valley.

Accurate Simulation of Parametrically Excited Micromirrors via Direct Computation of the Electrostatic Stiffness

PubMed Central

Frangi, Attilio; Guerrieri, Andrea; Boni, Nicoló

2017-01-01

Electrostatically actuated torsional micromirrors are key elements in Micro-Opto-Electro- Mechanical-Systems. When forced by means of in-plane comb-fingers, the dynamics of the main torsional response is known to be strongly non-linear and governed by parametric resonance. Here, in order to also trace unstable branches of the mirror response, we implement a simplified continuation method with arc-length control and propose an innovative technique based on Finite Elements and the concepts of material derivative in order to compute the electrostatic stiffness; i.e., the derivative of the torque with respect to the torsional angle, as required by the continuation approach. PMID:28383483

Accurate Simulation of Parametrically Excited Micromirrors via Direct Computation of the Electrostatic Stiffness.

PubMed

Frangi, Attilio; Guerrieri, Andrea; Boni, Nicoló

2017-04-06

Electrostatically actuated torsional micromirrors are key elements in Micro-Opto-Electro- Mechanical-Systems. When forced by means of in-plane comb-fingers, the dynamics of the main torsional response is known to be strongly non-linear and governed by parametric resonance. Here, in order to also trace unstable branches of the mirror response, we implement a simplified continuation method with arc-length control and propose an innovative technique based on Finite Elements and the concepts of material derivative in order to compute the electrostatic stiffness; i.e., the derivative of the torque with respect to the torsional angle, as required by the continuation approach.

From Near-Neutral to Strongly Stratified: Adequately Modelling the Clear-Sky Nocturnal Boundary Layer at Cabauw.

PubMed

Baas, P; van de Wiel, B J H; van der Linden, S J A; Bosveld, F C

2018-01-01

The performance of an atmospheric single-column model (SCM) is studied systematically for stably-stratified conditions. To this end, 11 years (2005-2015) of daily SCM simulations were compared to observations from the Cabauw observatory, The Netherlands. Each individual clear-sky night was classified in terms of the ambient geostrophic wind speed with a [Formula: see text] bin-width. Nights with overcast conditions were filtered out by selecting only those nights with an average net radiation of less than [Formula: see text]. A similar procedure was applied to the observational dataset. A comparison of observed and modelled ensemble-averaged profiles of wind speed and potential temperature and time series of turbulent fluxes showed that the model represents the dynamics of the nocturnal boundary layer (NBL) at Cabauw very well for a broad range of mechanical forcing conditions. No obvious difference in model performance was found between near-neutral and strongly-stratified conditions. Furthermore, observed NBL regime transitions are represented in a natural way. The reference model version performs much better than a model version that applies excessive vertical mixing as is done in several (global) operational models. Model sensitivity runs showed that for weak-wind conditions the inversion strength depends much more on details of the land-atmosphere coupling than on the turbulent mixing. The presented results indicate that in principle the physical parametrizations of large-scale atmospheric models are sufficiently equipped for modelling stably-stratified conditions for a wide range of forcing conditions.

Predicting Power Outages Using Multi-Model Ensemble Forecasts

NASA Astrophysics Data System (ADS)

Cerrai, D.; Anagnostou, E. N.; Yang, J.; Astitha, M.

2017-12-01

Power outages affect every year millions of people in the United States, affecting the economy and conditioning the everyday life. An Outage Prediction Model (OPM) has been developed at the University of Connecticut for helping utilities to quickly restore outages and to limit their adverse consequences on the population. The OPM, operational since 2015, combines several non-parametric machine learning (ML) models that use historical weather storm simulations and high-resolution weather forecasts, satellite remote sensing data, and infrastructure and land cover data to predict the number and spatial distribution of power outages. A new methodology, developed for improving the outage model performances by combining weather- and soil-related variables using three different weather models (WRF 3.7, WRF 3.8 and RAMS/ICLAMS), will be presented in this study. First, we will present a performance evaluation of each model variable, by comparing historical weather analyses with station data or reanalysis over the entire storm data set. Hence, each variable of the new outage model version is extracted from the best performing weather model for that variable, and sensitivity tests are performed for investigating the most efficient variable combination for outage prediction purposes. Despite that the final variables combination is extracted from different weather models, this ensemble based on multi-weather forcing and multi-statistical model power outage prediction outperforms the currently operational OPM version that is based on a single weather forcing variable (WRF 3.7), because each model component is the closest to the actual atmospheric state.

From Near-Neutral to Strongly Stratified: Adequately Modelling the Clear-Sky Nocturnal Boundary Layer at Cabauw

NASA Astrophysics Data System (ADS)

Baas, P.; van de Wiel, B. J. H.; van der Linden, S. J. A.; Bosveld, F. C.

2018-02-01

The performance of an atmospheric single-column model (SCM) is studied systematically for stably-stratified conditions. To this end, 11 years (2005-2015) of daily SCM simulations were compared to observations from the Cabauw observatory, The Netherlands. Each individual clear-sky night was classified in terms of the ambient geostrophic wind speed with a 1 m s^{-1} bin-width. Nights with overcast conditions were filtered out by selecting only those nights with an average net radiation of less than - 30 W m^{-2}. A similar procedure was applied to the observational dataset. A comparison of observed and modelled ensemble-averaged profiles of wind speed and potential temperature and time series of turbulent fluxes showed that the model represents the dynamics of the nocturnal boundary layer (NBL) at Cabauw very well for a broad range of mechanical forcing conditions. No obvious difference in model performance was found between near-neutral and strongly-stratified conditions. Furthermore, observed NBL regime transitions are represented in a natural way. The reference model version performs much better than a model version that applies excessive vertical mixing as is done in several (global) operational models. Model sensitivity runs showed that for weak-wind conditions the inversion strength depends much more on details of the land-atmosphere coupling than on the turbulent mixing. The presented results indicate that in principle the physical parametrizations of large-scale atmospheric models are sufficiently equipped for modelling stably-stratified conditions for a wide range of forcing conditions.

Model Robust Calibration: Method and Application to Electronically-Scanned Pressure Transducers

NASA Technical Reports Server (NTRS)

Walker, Eric L.; Starnes, B. Alden; Birch, Jeffery B.; Mays, James E.

2010-01-01

This article presents the application of a recently developed statistical regression method to the controlled instrument calibration problem. The statistical method of Model Robust Regression (MRR), developed by Mays, Birch, and Starnes, is shown to improve instrument calibration by reducing the reliance of the calibration on a predetermined parametric (e.g. polynomial, exponential, logarithmic) model. This is accomplished by allowing fits from the predetermined parametric model to be augmented by a certain portion of a fit to the residuals from the initial regression using a nonparametric (locally parametric) regression technique. The method is demonstrated for the absolute scale calibration of silicon-based pressure transducers.

Choice Inconsistencies among the Elderly: Evidence from Plan Choice in the Medicare Part D Program: Reply

PubMed Central

ABALUCK, JASON

2017-01-01

We explore the in- and out- of sample robustness of tests for choice inconsistencies based on parameter restrictions in parametric models, focusing on tests proposed by Ketcham, Kuminoff and Powers (KKP). We argue that their non-parametric alternatives are inherently conservative with respect to detecting mistakes. We then show that our parametric model is robust to KKP’s suggested specification checks, and that comprehensive goodness of fit measures perform better with our model than the expected utility model. Finally, we explore the robustness of our 2011 results to alternative normative assumptions highlighting the role of brand fixed effects and unobservable characteristics. PMID:29170561

Nonrelativistic approaches derived from point-coupling relativistic models

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

Lourenco, O.; Dutra, M.; Delfino, A.

2010-03-15

We construct nonrelativistic versions of relativistic nonlinear hadronic point-coupling models, based on new normalized spinor wave functions after small component reduction. These expansions give us energy density functionals that can be compared to their relativistic counterparts. We show that the agreement between the nonrelativistic limit approach and the Skyrme parametrizations becomes strongly dependent on the incompressibility of each model. We also show that the particular case A=B=0 (Walecka model) leads to the same energy density functional of the Skyrme parametrizations SV and ZR2, while the truncation scheme, up to order {rho}{sup 3}, leads to parametrizations for which {sigma}=1.

CuBe: parametric modeling of 3D foveal shape using cubic Bézier

PubMed Central

Yadav, Sunil Kumar; Motamedi, Seyedamirhosein; Oberwahrenbrock, Timm; Oertel, Frederike Cosima; Polthier, Konrad; Paul, Friedemann; Kadas, Ella Maria; Brandt, Alexander U.

2017-01-01

Optical coherence tomography (OCT) allows three-dimensional (3D) imaging of the retina, and is commonly used for assessing pathological changes of fovea and macula in many diseases. Many neuroinflammatory conditions are known to cause modifications to the fovea shape. In this paper, we propose a method for parametric modeling of the foveal shape. Our method exploits invariant features of the macula from OCT data and applies a cubic Bézier polynomial along with a least square optimization to produce a best fit parametric model of the fovea. Additionally, we provide several parameters of the foveal shape based on the proposed 3D parametric modeling. Our quantitative and visual results show that the proposed model is not only able to reconstruct important features from the foveal shape, but also produces less error compared to the state-of-the-art methods. Finally, we apply the model in a comparison of healthy control eyes and eyes from patients with neuroinflammatory central nervous system disorders and optic neuritis, and show that several derived model parameters show significant differences between the two groups. PMID:28966857

Model Adaptation in Parametric Space for POD-Galerkin Models

NASA Astrophysics Data System (ADS)

Gao, Haotian; Wei, Mingjun

2017-11-01

The development of low-order POD-Galerkin models is largely motivated by the expectation to use the model developed with a set of parameters at their native values to predict the dynamic behaviors of the same system under different parametric values, in other words, a successful model adaptation in parametric space. However, most of time, even small deviation of parameters from their original value may lead to large deviation or unstable results. It has been shown that adding more information (e.g. a steady state, mean value of a different unsteady state, or an entire different set of POD modes) may improve the prediction of flow with other parametric states. For a simple case of the flow passing a fixed cylinder, an orthogonal mean mode at a different Reynolds number may stabilize the POD-Galerkin model when Reynolds number is changed. For a more complicated case of the flow passing an oscillatory cylinder, a global POD-Galerkin model is first applied to handle the moving boundaries, then more information (e.g. more POD modes) is required to predicate the flow under different oscillatory frequencies. Supported by ARL.

Parametric, nonparametric and parametric modelling of a chaotic circuit time series

NASA Astrophysics Data System (ADS)

Timmer, J.; Rust, H.; Horbelt, W.; Voss, H. U.

2000-09-01

The determination of a differential equation underlying a measured time series is a frequently arising task in nonlinear time series analysis. In the validation of a proposed model one often faces the dilemma that it is hard to decide whether possible discrepancies between the time series and model output are caused by an inappropriate model or by bad estimates of parameters in a correct type of model, or both. We propose a combination of parametric modelling based on Bock's multiple shooting algorithm and nonparametric modelling based on optimal transformations as a strategy to test proposed models and if rejected suggest and test new ones. We exemplify this strategy on an experimental time series from a chaotic circuit where we obtain an extremely accurate reconstruction of the observed attractor.

Thermodynamically consistent force fields for the assembly of inorganic, organic, and biological nanostructures: the INTERFACE force field.

PubMed

Heinz, Hendrik; Lin, Tzu-Jen; Mishra, Ratan Kishore; Emami, Fateme S

2013-02-12

The complexity of the molecular recognition and assembly of biotic-abiotic interfaces on a scale of 1 to 1000 nm can be understood more effectively using simulation tools along with laboratory instrumentation. We discuss the current capabilities and limitations of atomistic force fields and explain a strategy to obtain dependable parameters for inorganic compounds that has been developed and tested over the past decade. Parameter developments include several silicates, aluminates, metals, oxides, sulfates, and apatites that are summarized in what we call the INTERFACE force field. The INTERFACE force field operates as an extension of common harmonic force fields (PCFF, COMPASS, CHARMM, AMBER, GROMACS, and OPLS-AA) by employing the same functional form and combination rules to enable simulations of inorganic-organic and inorganic-biomolecular interfaces. The parametrization builds on an in-depth understanding of physical-chemical properties on the atomic scale to assign each parameter, especially atomic charges and van der Waals constants, as well as on the validation of macroscale physical-chemical properties for each compound in comparison to measurements. The approach eliminates large discrepancies between computed and measured bulk and surface properties of up to 2 orders of magnitude using other parametrization protocols and increases the transferability of the parameters by introducing thermodynamic consistency. As a result, a wide range of properties can be computed in quantitative agreement with experiment, including densities, surface energies, solid-water interface tensions, anisotropies of interfacial energies of different crystal facets, adsorption energies of biomolecules, and thermal and mechanical properties. Applications include insight into the assembly of inorganic-organic multiphase materials, the recognition of inorganic facets by biomolecules, growth and shape preferences of nanocrystals and nanoparticles, as well as thermal transitions and nanomechanics. Limitations and opportunities for further development are also described.

Dynamics of the aortic arch submitted to a shock loading: Parametric study with fluid-structure models.

PubMed

El Baroudi, A; Razafimahery, F; Rakotomanana, L

2012-01-01

This work aims to present some fluid-structure models for analyzing the dynamics of the aorta during a brusque loading. Indeed, various lesions may appear at the aortic arch during car crash or other accident such as brusque falling. Aortic stresses evolution are simulated during the shock at the cross section and along the aorta. One hot question was that if a brusque deceleration can generate tissue tearing, or a shock is necessary to provoke such a damage. Different constitutive laws of blood are then tested whereas the aorta is assumed linear and elastic. The overall shock model is inspired from an experimental jig. We show that the viscosity has strong influence on the stress and parietal moments and forces. The nonlinear viscosity has no significant additional effects for healthy aorta, but modifies the stress and parietal loadings for the stenotic aorta.

Transferable Reactive Force Fields: Extensions of ReaxFF-lg to Nitromethane.

PubMed

Larentzos, James P; Rice, Betsy M

2017-03-09

Transferable ReaxFF-lg models of nitromethane that predict a variety of material properties over a wide range of thermodynamic states are obtained by screening a library of ∼6600 potentials that were previously optimized through the Multiple Objective Evolutionary Strategies (MOES) approach using a training set that included information for other energetic materials composed of carbon, hydrogen, nitrogen, and oxygen. Models that best match experimental nitromethane lattice constants at 4.2 K and 1 atm are evaluated for transferability to high-pressure states at room temperature and are shown to better predict various liquid- and solid-phase structural, thermodynamic, and transport properties as compared to the existing ReaxFF and ReaxFF-lg parametrizations. Although demonstrated for an energetic material, the library of ReaxFF-lg models is supplied to the scientific community to enable new research explorations of complex reactive phenomena in a variety of materials research applications.

Goal-oriented Site Characterization in Hydrogeological Applications: An Overview

NASA Astrophysics Data System (ADS)

Nowak, W.; de Barros, F.; Rubin, Y.

2011-12-01

In this study, we address the importance of goal-oriented site characterization. Given the multiple sources of uncertainty in hydrogeological applications, information needs of modeling, prediction and decision support should be satisfied with efficient and rational field campaigns. In this work, we provide an overview of an optimal sampling design framework based on Bayesian decision theory, statistical parameter inference and Bayesian model averaging. It optimizes the field sampling campaign around decisions on environmental performance metrics (e.g., risk, arrival times, etc.) while accounting for parametric and model uncertainty in the geostatistical characterization, in forcing terms, and measurement error. The appealing aspects of the framework lie on its goal-oriented character and that it is directly linked to the confidence in a specified decision. We illustrate how these concepts could be applied in a human health risk problem where uncertainty from both hydrogeological and health parameters are accounted.

Simulations of roughness initiation and growth on railway rails

NASA Astrophysics Data System (ADS)

Sheng, X.; Thompson, D. J.; Jones, C. J. C.; Xie, G.; Iwnicki, S. D.; Allen, P.; Hsu, S. S.

2006-06-01

A model for the prediction of the initiation and growth of roughness on the rail is presented. The vertical interaction between a train and the track is calculated as a time history for single or multiple wheels moving on periodically supported rails, using a wavenumber-based approach. This vertical dynamic wheel/rail force arises from the varying stiffness due to discrete supports (i.e. parametric excitation) and the roughness excitation on the railhead. The tangential contact problem between the wheel and rail is modelled using an unsteady two-dimensional approach and also using the three-dimensional contact model, FASTSIM. This enables the slip and stick regions in the contact patch to be identified from the input geometry and creepage between the wheel and rail. The long-term wear growth is then predicted by applying repeated passages of the vehicle wheelsets, as part of an iterative solution.

Analysis of Parametric Adaptive Signal Detection with Applications to Radars and Hyperspectral Imaging

DTIC Science & Technology

2010-02-01

98 8.4.5 Training Screening ............................. .................................................................99 8.5 Experimental...associated with the proposed parametric model. Several im- portant issues are discussed, including model order selection, training screening , and time...parameters associated with the NS-AR model. In addition, we develop model order selection, training screening , and time-series based whitening and

Informing a hydrological model of the Ogooué with multi-mission remote sensing data

NASA Astrophysics Data System (ADS)

Kittel, Cecile M. M.; Nielsen, Karina; Tøttrup, Christian; Bauer-Gottwein, Peter

2018-02-01

Remote sensing provides a unique opportunity to inform and constrain a hydrological model and to increase its value as a decision-support tool. In this study, we applied a multi-mission approach to force, calibrate and validate a hydrological model of the ungauged Ogooué river basin in Africa with publicly available and free remote sensing observations. We used a rainfall-runoff model based on the Budyko framework coupled with a Muskingum routing approach. We parametrized the model using the Shuttle Radar Topography Mission digital elevation model (SRTM DEM) and forced it using precipitation from two satellite-based rainfall estimates, FEWS-RFE (Famine Early Warning System rainfall estimate) and the Tropical Rainfall Measuring Mission (TRMM) 3B42 v.7, and temperature from ECMWF ERA-Interim. We combined three different datasets to calibrate the model using an aggregated objective function with contributions from (1) historical in situ discharge observations from the period 1953-1984 at six locations in the basin, (2) radar altimetry measurements of river stages by Envisat and Jason-2 at 12 locations in the basin and (3) GRACE (Gravity Recovery and Climate Experiment) total water storage change (TWSC). Additionally, we extracted CryoSat-2 observations throughout the basin using a Sentinel-1 SAR (synthetic aperture radar) imagery water mask and used the observations for validation of the model. The use of new satellite missions, including Sentinel-1 and CryoSat-2, increased the spatial characterization of river stage. Throughout the basin, we achieved good agreement between observed and simulated discharge and the river stage, with an RMSD between simulated and observed water amplitudes at virtual stations of 0.74 m for the TRMM-forced model and 0.87 m for the FEWS-RFE-forced model. The hydrological model also captures overall total water storage change patterns, although the amplitude of storage change is generally underestimated. By combining hydrological modeling with multi-mission remote sensing from 10 different satellite missions, we obtain new information on an otherwise unstudied basin. The proposed model is the best current baseline characterization of hydrological conditions in the Ogooué in light of the available observations.

Status Report on Activities of the Systems Assessment Task Force, OECD-NEA Expert Group on Accident Tolerant Fuels for LWRs

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

Bragg-Sitton, Shannon Michelle

The Organization for Economic Cooperation and Development /Nuclear Energy Agency (OECD/NEA) Nuclear Science Committee approved the formation of an Expert Group on Accident Tolerant Fuel (ATF) for LWRs (EGATFL) in 2014. Chaired by Kemal Pasamehmetoglu, INL Associate Laboratory Director for Nuclear Science and Technology, the mandate for the EGATFL defines work under three task forces: (1) Systems Assessment, (2) Cladding and Core Materials, and (3) Fuel Concepts. Scope for the Systems Assessment task force includes definition of evaluation metrics for ATF, technology readiness level definition, definition of illustrative scenarios for ATF evaluation, parametric studies, and selection of system codes. Themore » Cladding and Core Materials and Fuel Concepts task forces will identify gaps and needs for modeling and experimental demonstration; define key properties of interest; identify the data necessary to perform concept evaluation under normal conditions and illustrative scenarios; identify available infrastructure (internationally) to support experimental needs; and make recommendations on priorities. Where possible, considering proprietary and other export restrictions (e.g., International Traffic in Arms Regulations), the Expert Group will facilitate the sharing of data and lessons learned across the international group membership. The Systems Assessment Task Force is chaired by Shannon Bragg-Sitton (INL), while the Cladding Task Force will be chaired by a representative from France (Marie Moatti, Electricite de France [EdF]) and the Fuels Task Force will be chaired by a representative from Japan (Masaki Kurata, Japan Atomic Energy Agency [JAEA]). This report provides an overview of the Systems Assessment Task Force charter and status of work accomplishment.« less

Nonlinearity Role in Long-Term Interaction of the Ocean Gravity Waves

DTIC Science & Technology

2012-09-30

3 4 =s We found that in the fetch-limited case the wind forcing index s is similar to the time domain situation, and the wind forcing is given by...of its evolution. Fig.5 gives a graphical summary of four reference cases of self-similar evolution of wind-driven waves. These cases are shown as...different R, tangents of one-parametric dependencies H~TR height-to-period in logarithmic axes. Reference cases of growing wind sea are shown as

Accelerated failure time models for semi-competing risks data in the presence of complex censoring.

PubMed

Lee, Kyu Ha; Rondeau, Virginie; Haneuse, Sebastien

2017-12-01

Statistical analyses that investigate risk factors for Alzheimer's disease (AD) are often subject to a number of challenges. Some of these challenges arise due to practical considerations regarding data collection such that the observation of AD events is subject to complex censoring including left-truncation and either interval or right-censoring. Additional challenges arise due to the fact that study participants under investigation are often subject to competing forces, most notably death, that may not be independent of AD. Towards resolving the latter, researchers may choose to embed the study of AD within the "semi-competing risks" framework for which the recent statistical literature has seen a number of advances including for the so-called illness-death model. To the best of our knowledge, however, the semi-competing risks literature has not fully considered analyses in contexts with complex censoring, as in studies of AD. This is particularly the case when interest lies with the accelerated failure time (AFT) model, an alternative to the traditional multiplicative Cox model that places emphasis away from the hazard function. In this article, we outline a new Bayesian framework for estimation/inference of an AFT illness-death model for semi-competing risks data subject to complex censoring. An efficient computational algorithm that gives researchers the flexibility to adopt either a fully parametric or a semi-parametric model specification is developed and implemented. The proposed methods are motivated by and illustrated with an analysis of data from the Adult Changes in Thought study, an on-going community-based prospective study of incident AD in western Washington State. © 2017, The International Biometric Society.

Influence of spatial beam inhomogeneities on the parameters of a petawatt laser system based on multi-stage parametric amplification

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

Frolov, S A; Trunov, V I; Pestryakov, Efim V

2013-05-31

We have developed a technique for investigating the evolution of spatial inhomogeneities in high-power laser systems based on multi-stage parametric amplification. A linearised model of the inhomogeneity development is first devised for parametric amplification with the small-scale self-focusing taken into account. It is shown that the application of this model gives the results consistent (with high accuracy and in a wide range of inhomogeneity parameters) with the calculation without approximations. Using the linearised model, we have analysed the development of spatial inhomogeneities in a petawatt laser system based on multi-stage parametric amplification, developed at the Institute of Laser Physics, Siberianmore » Branch of the Russian Academy of Sciences (ILP SB RAS). (control of laser radiation parameters)« less

Assessment of bias correction under transient climate change

NASA Astrophysics Data System (ADS)

Van Schaeybroeck, Bert; Vannitsem, Stéphane

2015-04-01

Calibration of climate simulations is necessary since large systematic discrepancies are generally found between the model climate and the observed climate. Recent studies have cast doubt upon the common assumption of the bias being stationary when the climate changes. This led to the development of new methods, mostly based on linear sensitivity of the biases as a function of time or forcing (Kharin et al. 2012). However, recent studies uncovered more fundamental problems using both low-order systems (Vannitsem 2011) and climate models, showing that the biases may display complicated non-linear variations under climate change. This last analysis focused on biases derived from the equilibrium climate sensitivity, thereby ignoring the effect of the transient climate sensitivity. Based on the linear response theory, a general method of bias correction is therefore proposed that can be applied on any climate forcing scenario. The validity of the method is addressed using twin experiments with a climate model of intermediate complexity LOVECLIM (Goosse et al., 2010). We evaluate to what extent the bias change is sensitive to the structure (frequency) of the applied forcing (here greenhouse gases) and whether the linear response theory is valid for global and/or local variables. To answer these question we perform large-ensemble simulations using different 300-year scenarios of forced carbon-dioxide concentrations. Reality and simulations are assumed to differ by a model error emulated as a parametric error in the wind drag or in the radiative scheme. References [1] H. Goosse et al., 2010: Description of the Earth system model of intermediate complexity LOVECLIM version 1.2, Geosci. Model Dev., 3, 603-633. [2] S. Vannitsem, 2011: Bias correction and post-processing under climate change, Nonlin. Processes Geophys., 18, 911-924. [3] V.V. Kharin, G. J. Boer, W. J. Merryfield, J. F. Scinocca, and W.-S. Lee, 2012: Statistical adjustment of decadal predictions in a changing climate, Geophys. Res. Lett., 39, L19705.

Force-Field Prediction of Materials Properties in Metal-Organic Frameworks

PubMed Central

2016-01-01

In this work, MOF bulk properties are evaluated and compared using several force fields on several well-studied MOFs, including IRMOF-1 (MOF-5), IRMOF-10, HKUST-1, and UiO-66. It is found that, surprisingly, UFF and DREIDING provide good values for the bulk modulus and linear thermal expansion coefficients for these materials, excluding those that they are not parametrized for. Force fields developed specifically for MOFs including UFF4MOF, BTW-FF, and the DWES force field are also found to provide accurate values for these materials’ properties. While we find that each force field offers a moderately good picture of these properties, noticeable deviations can be observed when looking at properties sensitive to framework vibrational modes. This observation is more pronounced upon the introduction of framework charges. PMID:28008758

Computation of the intensities of parametric holographic scattering patterns in photorefractive crystals.

PubMed

Schwalenberg, Simon

2005-06-01

The present work represents a first attempt to perform computations of output intensity distributions for different parametric holographic scattering patterns. Based on the model for parametric four-wave mixing processes in photorefractive crystals and taking into account realistic material properties, we present computed images of selected scattering patterns. We compare these calculated light distributions to the corresponding experimental observations. Our analysis is especially devoted to dark scattering patterns as they make high demands on the underlying model.

A convolution model for computing the far-field directivity of a parametric loudspeaker array.

PubMed

Shi, Chuang; Kajikawa, Yoshinobu

2015-02-01

This paper describes a method to compute the far-field directivity of a parametric loudspeaker array (PLA), whereby the steerable parametric loudspeaker can be implemented when phased array techniques are applied. The convolution of the product directivity and the Westervelt's directivity is suggested, substituting for the past practice of using the product directivity only. Computed directivity of a PLA using the proposed convolution model achieves significant improvement in agreement to measured directivity at a negligible computational cost.

Soft-sphere simulations of a planar shock interaction with a granular bed

NASA Astrophysics Data System (ADS)

Stewart, Cameron; Balachandar, S.; McGrath, Thomas P.

2018-03-01

Here we consider the problem of shock propagation through a layer of spherical particles. A point particle force model is used to capture the shock-induced aerodynamic force acting upon the particles. The discrete element method (DEM) code liggghts is used to implement the shock-induced force as well as to capture the collisional forces within the system. A volume-fraction-dependent drag correction is applied using Voronoi tessellation to calculate the volume of fluid around each individual particle. A statistically stationary frame is chosen so that spatial and temporal averaging can be performed to calculate ensemble-averaged macroscopic quantities, such as the granular temperature. A parametric study is carried out by varying the coefficient of restitution for three sets of multiphase shock conditions. A self-similar profile is obtained for the granular temperature that is dependent on the coefficient of restitution. A traveling wave structure is observed in the particle concentration downstream of the shock and this instability arises from the volume-fraction-dependent drag force. The intensity of the traveling wave increases significantly as inelastic collisions are introduced. Downstream of the shock, the variance in Voronoi volume fraction is shown to have a strong dependence upon the coefficient of restitution, indicating clustering of particles induced by collisional dissipation. Statistics of the Voronoi volume are computed upstream and downstream of the shock and compared to theoretical results for randomly distributed hard spheres.

Molecular Dynamics Simulations of Intrinsically Disordered Proteins: Force Field Evaluation and Comparison with Experiment.

PubMed

Henriques, João; Cragnell, Carolina; Skepö, Marie

2015-07-14

An increasing number of studies using molecular dynamics (MD) simulations of unfolded and intrinsically disordered proteins (IDPs) suggest that current force fields sample conformations that are overly collapsed. Here, we study the applicability of several state-of-the-art MD force fields, of the AMBER and GROMOS variety, for the simulation of Histatin 5, a short (24 residues) cationic salivary IDP with antimicrobial and antifungal properties. The quality of the simulations is assessed in three complementary analyses: (i) protein shape and size comparison with recent experimental small-angle X-ray scattering data; (ii) secondary structure prediction; (iii) energy landscape exploration and conformational class analysis. Our results show that, indeed, standard force fields sample conformations that are too compact, being systematically unable to reproduce experimental evidence such as the scattering function, the shape of the protein as compared with the Kratky plot, and intrapeptide distances obtained through the pair distance distribution function, p(r). The consistency of this deviation suggests that the problem is not mainly due to protein-protein or water-water interactions, whose parametrization varies the most between force fields and water models. In fact, as originally proposed in [ Best et al. J. Chem. Theory Comput. 2014, 10, 5113 - 5124.], balanced protein-water interactions may be the key to solving this problem. Our simulations using this approach produce results in very good agreement with experiment.

Characteristics of Quasi-Biennial Oscillation simulation in the Meteorological Research Institute earth system model

NASA Astrophysics Data System (ADS)

Yoshida, K.; Naoe, H.

2016-12-01

Whether climate models drive Quasi-Biennial Oscillation (QBO) appropriately is important to assess QBO impact on climate change such as global warming and solar related variation. However, there were few models generating QBO in the Coupled Model Intercomparison Project Phase 5 (CMIP5). This study focuses on dynamical structure of the QBO and its sensitivity to background wind pattern and model configuration. We present preliminary results of experiments designed by "Towards Improving the QBO in Global Climate Models (QBOi)", which is derived from the Stratosphere-troposphere processes and their role in climate (SPARC), in the Meteorological Research Institute earth system model, MRI-ESM2. The simulations were performed in present-day climate condition, repeated annual cycle condition with various CO2 level and sea surface temperatures, and QBO hindcast. In the present climate simulation, zonal wind in the equatorial stratosphere generally exhibits realistic behavior of the QBO. Equatorial zonal wind variability associated with QBO is overestimated in upper stratosphere and underestimated in lower stratosphere. In the MRI-ESM2, the QBO behavior is mainly driven by gravity wave drag parametrization (GWDP) introduced in Hines (1997). Comparing to reanalyses, shortage of resolved wave forcing is found especially in equatorial lower stratosphere. These discrepancies can be attributed to difference in wave forcing, background wind pattern and model configuration. We intend to show results of additional sensitivity experiments to examine how model configuration and background wind pattern affect resolved wave source, wave propagation characteristics, and QBO behavior.

Cirrus clouds. I - A cirrus cloud model. II - Numerical experiments on the formation and maintenance of cirrus

NASA Technical Reports Server (NTRS)

Starr, D. OC.; Cox, S. K.

1985-01-01

A simplified cirrus cloud model is presented which may be used to investigate the role of various physical processes in the life cycle of a cirrus cloud. The model is a two-dimensional, time-dependent, Eulerian numerical model where the focus is on cloud-scale processes. Parametrizations are developed to account for phase changes of water, radiative processes, and the effects of microphysical structure on the vertical flux of ice water. The results of a simulation of a thin cirrostratus cloud are given. The results of numerical experiments performed with the model are described in order to demonstrate the important role of cloud-scale processes in determining the cloud properties maintained in response to larger scale forcing. The effects of microphysical composition and radiative processes are considered, as well as their interaction with thermodynamic and dynamic processes within the cloud. It is shown that cirrus clouds operate in an entirely different manner than liquid phase stratiform clouds.

Parametric convergence sensitivity and validation of a finite element model of the human lumbar spine.

PubMed

Ayturk, Ugur M; Puttlitz, Christian M

2011-08-01

The primary objective of this study was to generate a finite element model of the human lumbar spine (L1-L5), verify mesh convergence for each tissue constituent and perform an extensive validation using both kinematic/kinetic and stress/strain data. Mesh refinement was accomplished via convergence of strain energy density (SED) predictions for each spinal tissue. The converged model was validated based on range of motion, intradiscal pressure, facet force transmission, anterolateral cortical bone strain and anterior longitudinal ligament deformation predictions. Changes in mesh resolution had the biggest impact on SED predictions under axial rotation loading. Nonlinearity of the moment-rotation curves was accurately simulated and the model predictions on the aforementioned parameters were in good agreement with experimental data. The validated and converged model will be utilised to study the effects of degeneration on the lumbar spine biomechanics, as well as to investigate the mechanical underpinning of the contemporary treatment strategies.

Fracture Mechanics Analysis of an Annular Crack in a Three-concentric-cylinder Composite Model

NASA Technical Reports Server (NTRS)

Kuguoglu, Latife H.; Binienda, Wieslaw K.; Roberts, Gary D.

2004-01-01

A boundary-value problem governing a three-phase concentric-cylinder model was analytically modeled to analyze annular interfacial crack problems with Love s strain functions in order to find the stress intensity factors (SIFs) and strain energy release rates (SERRs) at the tips of an interface crack in a nonhomogeneous medium. The complex form of a singular integral equation (SIE) of the second kind was formulated using Bessel s functions in the Fourier domain, and the SIF and total SERR were calculated using Jacoby polynomials. For the validity of the SIF equations to be established, the SIE of the three-concentric-cylinder model was reduced to the SIE for a two-concentric-cylinder model, and the results were compared with the previous results of Erdogan. A preliminary set of parametric studies was carried out to show the effect of interphase properties on the SERR. The method presented here provides insight about the effect of interphase properties on the crack driving force.

Revisiting dark energy models using differential ages of galaxies

NASA Astrophysics Data System (ADS)

Rani, Nisha; Jain, Deepak; Mahajan, Shobhit; Mukherjee, Amitabha; Biesiada, Marek

2017-03-01

In this work, we use a test based on the differential ages of galaxies for distinguishing the dark energy models. As proposed by Jimenez and Loeb in [1], relative ages of galaxies can be used to put constraints on various cosmological parameters. In the same vein, we reconstruct H0dt/dz and its derivative (H0d2t/dz2) using a model independent technique called non-parametric smoothing. Basically, dt/dz is the change in the age of the object as a function of redshift which is directly linked with the Hubble parameter. Hence for reconstruction of this quantity, we use the most recent H(z) data. Further, we calculate H0dt/dz and its derivative for several models like Phantom, Einstein de Sitter (EdS), ΛCDM, Chevallier-Polarski-Linder (CPL) parametrization, Jassal-Bagla-Padmanabhan (JBP) parametrization and Feng-Shen-Li-Li (FSLL) parametrization. We check the consistency of these models with the results of reconstruction obtained in a model independent way from the data. It is observed that H0dt/dz as a tool is not able to distinguish between the ΛCDM, CPL, JBP and FSLL parametrizations but, as expected, EdS and Phantom models show noticeable deviation from the reconstructed results. Further, the derivative of H0dt/dz for various dark energy models is more sensitive at low redshift. It is found that the FSLL model is not consistent with the reconstructed results, however, the ΛCDM model is in concordance with the 3σ region of the reconstruction at redshift z>= 0.3.

A parametric multivariate drought index and its application in the attribution and projection of flash drought change in China

NASA Astrophysics Data System (ADS)

Yuan, X.; Wang, L.; Zhang, M.

2017-12-01

Rainfall deficit in the crop growing seasons is usually accompanied by heat waves. Abnormally high temperature increases evapotranspiration and decreases soil moisture rapidly, and ultimately results in a type of drought with a rapid onset, short duration but devastating impact, which is called "Flash drought". With the increase in global temperature, flash drought is expected to occur more frequently. However, there is no consensus on the definition of flash drought so far. Moreover, large uncertainty exists in the estimation of the flash drought and its trend, and the underlying mechanism for its long-term change is not clear. In this presentation, a parametric multivariate drought index that characterizes the joint probability distribution of key variables of flash drought will be developed, and the historical changes in flash drought over China will be analyzed. In addition, a set of land surface model simulations driven by IPCC CMIP5 models with different forcings and future scenarios, will be used for the detection and attribution of flash drought change. This study is targeted at quantifying the influences of natural and anthropogenic climate change on the flash drought change, projecting its future change as well as the corresponding uncertainty, and improving our understanding of the variation of flash drought and its underlying mechanism in a changing climate.

Parametric analyses of DEMO Divertor using two dimensional transient thermal hydraulic modelling

NASA Astrophysics Data System (ADS)

Domalapally, Phani; Di Caro, Marco

2018-05-01

Among the options considered for cooling of the Plasma facing components of the DEMO reactor, water cooling is a conservative option because of its high heat removal capability. In this work a two-dimensional transient thermal hydraulic code is developed to support the design of the divertor for the projected DEMO reactor with water as a coolant. The mathematical model accounts for transient 2D heat conduction in the divertor section. Temperature-dependent properties are used for more accurate analysis. Correlations for single phase flow forced convection, partially developed subcooled nucleate boiling, fully developed subcooled nucleate boiling and film boiling are used to calculate the heat transfer coefficients on the channel side considering the swirl flow, wherein different correlations found in the literature are compared against each other. Correlation for the Critical Heat Flux is used to estimate its limit for a given flow conditions. This paper then investigates the results of the parametric analysis performed, whereby flow velocity, diameter of the coolant channel, thickness of the coolant pipe, thickness of the armor material, inlet temperature and operating pressure affect the behavior of the divertor under steady or transient heat fluxes. This code will help in understanding the basic parameterś effect on the behavior of the divertor, to achieve a better design from a thermal hydraulic point of view.

40 CFR Appendix C to Part 75 - Missing Data Estimation Procedures

Code of Federal Regulations, 2010 CFR

2010-07-01

... certification of a parametric, empirical, or process simulation method or model for calculating substitute data... available process simulation methods and models. 1.2Petition Requirements Continuously monitor, determine... desulfurization, a corresponding empirical correlation or process simulation parametric method using appropriate...

Dynamic actuation of single-crystal diamond nanobeams

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

Sohn, Young-Ik; Burek, Michael J.; Lončar, Marko, E-mail: loncar@seas.harvard.edu

2015-12-14

We show the dielectrophoretic actuation of single-crystal diamond nanomechanical devices. Gradient radio-frequency electromagnetic forces are used to achieve actuation of both cantilever and doubly clamped beam structures, with operation frequencies ranging from a few MHz to ∼50 MHz. Frequency tuning and parametric actuation are also studied.

Modeling and Visualization Process of the Curve of Pen Point by GeoGebra

ERIC Educational Resources Information Center

Aktümen, Muharem; Horzum, Tugba; Ceylan, Tuba

2013-01-01

This study describes the mathematical construction of a real-life model by means of parametric equations, as well as the two- and three-dimensional visualization of the model using the software GeoGebra. The model was initially considered as "determining the parametric equation of the curve formed on a plane by the point of a pen, positioned…

Parametric investigation of scalable tactile sensors

NASA Astrophysics Data System (ADS)

Saadatzi, Mohammad Nasser; Yang, Zhong; Baptist, Joshua R.; Sahasrabuddhe, Ritvij R.; Wijayasinghe, Indika B.; Popa, Dan O.

2017-05-01

In the near future, robots and humans will share the same environment and perform tasks cooperatively. For intuitive, safe, and reliable physical human-robot interaction (pHRI), sensorized robot skins for tactile measurements of contact are necessary. In a previous study, we presented skins consisting of strain gauge arrays encased in silicone encapsulants. Although these structures could measure normal forces applied directly onto the sensing elements, they also exhibited blind spots and response asymmetry to certain loading patterns. This study presents a parametric investigation of piezoresistive polymeric strain gauge that exhibits a symmetric omniaxial response thanks to its novel star-shaped structure. This strain gauge relies on the use of gold micro-patterned star-shaped structures with a thin layer of PEDOT:PSS which is a flexible polymer with piezoresistive properties. In this paper, the sensor is first modeled and comprehensively analyzed in the finite-element simulation environment COMSOL. Simulations include stress-strain loading for a variety of structure parameters such as gauge lengths, widths, and spacing, as well as multiple load locations relative to the gauge. Subsequently, sensors with optimized configurations obtained through simulations were fabricated using cleanroom photolithographic and spin-coating processes, and then experimentally tested. Results show a trend-wise agreement between experiments and simulations.

Numerical investigation of galloping instabilities in Z-shaped profiles.

PubMed

Gomez, Ignacio; Chavez, Miguel; Alonso, Gustavo; Valero, Eusebio

2014-01-01

Aeroelastic effects are relatively common in the design of modern civil constructions such as office blocks, airport terminal buildings, and factories. Typical flexible structures exposed to the action of wind are shading devices, normally slats or louvers. A typical cross-section for such elements is a Z-shaped profile, made out of a central web and two-side wings. Galloping instabilities are often determined in practice using the Glauert-Den Hartog criterion. This criterion relies on accurate predictions of the dependence of the aerodynamic force coefficients with the angle of attack. The results of a parametric analysis based on a numerical analysis and performed on different Z-shaped louvers to determine translational galloping instability regions are presented in this paper. These numerical analysis results have been validated with a parametric analysis of Z-shaped profiles based on static wind tunnel tests. In order to perform this validation, the DLR TAU Code, which is a standard code within the European aeronautical industry, has been used. This study highlights the focus on the numerical prediction of the effect of galloping, which is shown in a visible way, through stability maps. Comparisons between numerical and experimental data are presented with respect to various meshes and turbulence models.

Nonlinear waves in viscoelastic magnetized complex astroplasmas with polarized dust-charge variations

NASA Astrophysics Data System (ADS)

Das, Papari; Karmakar, Pralay Kumar

2018-01-01

A nonextensive nonthermal magnetized viscoelastic astrofluid, compositionally containing nonthermal electrons and ions together with massive polarized dust micro-spherical grains of variable electric charge, is allowed to endure weakly nonlinear perturbation around its equilibrium. The nonextensivity originating from the large-scale non-local effects is included via the Tsallis thermo-statistical distribution laws describing the lighter species. Assuming the equilibrium as a homogeneous hydrostatic one, the dust polarization effects are incorporated via the conventional homogeneous polarization force law. The perturbed fluid model evolves as a unique conjugate pair of coupled extended Korteweg-de Vries (e-KdV) equations. A constructed numerical tapestry shows the collective excitations of a new pair of distinct classes of nonlinear mode structures in new parametric space. The first family indicates periodic electrostatic compressive eigenmodes in the form of soliton-chains. Likewise, the second one reveals gravitational rarefactive solitary patterns. Their microphysical multi-parametric dependencies of the eigen-patterns are illustratively analyzed and bolstered. The paper ends up with some promising implications and applications in the astro-cosmo-plasmic context of wave-induced accretive triggering processes responsible for gravitationally bounded (gravito-condensed) astro-structure formation, such as stellesimals, planetsimals, etc.

Developmental models for estimating ecological responses to environmental variability: structural, parametric, and experimental issues.

PubMed

Moore, Julia L; Remais, Justin V

2014-03-01

Developmental models that account for the metabolic effect of temperature variability on poikilotherms, such as degree-day models, have been widely used to study organism emergence, range and development, particularly in agricultural and vector-borne disease contexts. Though simple and easy to use, structural and parametric issues can influence the outputs of such models, often substantially. Because the underlying assumptions and limitations of these models have rarely been considered, this paper reviews the structural, parametric, and experimental issues that arise when using degree-day models, including the implications of particular structural or parametric choices, as well as assumptions that underlie commonly used models. Linear and non-linear developmental functions are compared, as are common methods used to incorporate temperature thresholds and calculate daily degree-days. Substantial differences in predicted emergence time arose when using linear versus non-linear developmental functions to model the emergence time in a model organism. The optimal method for calculating degree-days depends upon where key temperature threshold parameters fall relative to the daily minimum and maximum temperatures, as well as the shape of the daily temperature curve. No method is shown to be universally superior, though one commonly used method, the daily average method, consistently provides accurate results. The sensitivity of model projections to these methodological issues highlights the need to make structural and parametric selections based on a careful consideration of the specific biological response of the organism under study, and the specific temperature conditions of the geographic regions of interest. When degree-day model limitations are considered and model assumptions met, the models can be a powerful tool for studying temperature-dependent development.

SPM analysis of parametric (R)-[11C]PK11195 binding images: plasma input versus reference tissue parametric methods.

PubMed

Schuitemaker, Alie; van Berckel, Bart N M; Kropholler, Marc A; Veltman, Dick J; Scheltens, Philip; Jonker, Cees; Lammertsma, Adriaan A; Boellaard, Ronald

2007-05-01

(R)-[11C]PK11195 has been used for quantifying cerebral microglial activation in vivo. In previous studies, both plasma input and reference tissue methods have been used, usually in combination with a region of interest (ROI) approach. Definition of ROIs, however, can be labourious and prone to interobserver variation. In addition, results are only obtained for predefined areas and (unexpected) signals in undefined areas may be missed. On the other hand, standard pharmacokinetic models are too sensitive to noise to calculate (R)-[11C]PK11195 binding on a voxel-by-voxel basis. Linearised versions of both plasma input and reference tissue models have been described, and these are more suitable for parametric imaging. The purpose of this study was to compare the performance of these plasma input and reference tissue parametric methods on the outcome of statistical parametric mapping (SPM) analysis of (R)-[11C]PK11195 binding. Dynamic (R)-[11C]PK11195 PET scans with arterial blood sampling were performed in 7 younger and 11 elderly healthy subjects. Parametric images of volume of distribution (Vd) and binding potential (BP) were generated using linearised versions of plasma input (Logan) and reference tissue (Reference Parametric Mapping) models. Images were compared at the group level using SPM with a two-sample t-test per voxel, both with and without proportional scaling. Parametric BP images without scaling provided the most sensitive framework for determining differences in (R)-[11C]PK11195 binding between younger and elderly subjects. Vd images could only demonstrate differences in (R)-[11C]PK11195 binding when analysed with proportional scaling due to intersubject variation in K1/k2 (blood-brain barrier transport and non-specific binding).

Marginally specified priors for non-parametric Bayesian estimation

PubMed Central

Kessler, David C.; Hoff, Peter D.; Dunson, David B.

2014-01-01

Summary Prior specification for non-parametric Bayesian inference involves the difficult task of quantifying prior knowledge about a parameter of high, often infinite, dimension. A statistician is unlikely to have informed opinions about all aspects of such a parameter but will have real information about functionals of the parameter, such as the population mean or variance. The paper proposes a new framework for non-parametric Bayes inference in which the prior distribution for a possibly infinite dimensional parameter is decomposed into two parts: an informative prior on a finite set of functionals, and a non-parametric conditional prior for the parameter given the functionals. Such priors can be easily constructed from standard non-parametric prior distributions in common use and inherit the large support of the standard priors on which they are based. Additionally, posterior approximations under these informative priors can generally be made via minor adjustments to existing Markov chain approximation algorithms for standard non-parametric prior distributions. We illustrate the use of such priors in the context of multivariate density estimation using Dirichlet process mixture models, and in the modelling of high dimensional sparse contingency tables. PMID:25663813

Hybrid integral-differential simulator of EM force interactions/scenario-assessment tool with pre-computed influence matrix in applications to ITER

NASA Astrophysics Data System (ADS)

Rozov, V.; Alekseev, A.

2015-08-01

A necessity to address a wide spectrum of engineering problems in ITER determined the need for efficient tools for modeling of the magnetic environment and force interactions between the main components of the magnet system. The assessment of the operating window for the machine, determined by the electro-magnetic (EM) forces, and the check of feasibility of particular scenarios play an important role for ensuring the safety of exploitation. Such analysis-powered prevention of damages forms an element of the Machine Operations and Investment Protection strategy. The corresponding analysis is a necessary step in preparation of the commissioning, which finalizes the construction phase. It shall be supported by the development of the efficient and robust simulators and multi-physics/multi-system integration of models. The developed numerical model of interactions in the ITER magnetic system, based on the use of pre-computed influence matrices, facilitated immediate and complete assessment and systematic specification of EM loads on magnets in all foreseen operating regimes, their maximum values, envelopes and the most critical scenarios. The common principles of interaction in typical bilateral configurations have been generalized for asymmetry conditions, inspired by the plasma and by the hardware, including asymmetric plasma event and magnetic system fault cases. The specification of loads is supported by the technology of functional approximation of nodal and distributed data by continuous patterns/analytical interpolants. The global model of interactions together with the mesh-independent analytical format of output provides the source of self-consistent and transferable data on the spatial distribution of the system of forces for assessments of structural performance of the components, assemblies and supporting structures. The numerical model used is fully parametrized, which makes it very suitable for multi-variant and sensitivity studies (positioning, off-normal events, asymmetry, etc). The obtained results and matrices form a basis for a relatively simple and robust force processor as a specialized module of a global simulator for diagnostic, operational instrumentation, monitoring and control, as well as a scenario assessment tool. This paper gives an overview of the model, applied technique, assessed problems and obtained qualitative and quantitative results.

Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates

NASA Astrophysics Data System (ADS)

Small, Meagan C.; Aytenfisu, Asaminew H.; Lin, Fang-Yu; He, Xibing; MacKerell, Alexander D.

2017-04-01

The majority of computer simulations exploring biomolecular function employ Class I additive force fields (FF), which do not treat polarization explicitly. Accordingly, much effort has been made into developing models that go beyond the additive approximation. Development and optimization of the Drude polarizable FF has yielded parameters for selected lipids, proteins, DNA and a limited number of carbohydrates. The work presented here details parametrization of aliphatic aldehydes and ketones (viz. acetaldehyde, propionaldehyde, butaryaldehyde, isobutaryaldehyde, acetone, and butanone) as well as their associated acyclic sugars ( d-allose and d-psicose). LJ parameters are optimized targeting experimental heats of vaporization and molecular volumes, while the electrostatic parameters are optimized targeting QM water interactions, dipole moments, and molecular polarizabilities. Bonded parameters are targeted to both QM and crystal survey values, with the models for ketones and aldehydes shown to be in good agreement with QM and experimental target data. The reported heats of vaporization and molecular volumes represent a compromise between the studied model compounds. Simulations of the model compounds show an increase in the magnitude and the fluctuations of the dipole moments in moving from gas phase to condensed phases, which is a phenomenon that the additive FF is intrinsically unable to reproduce. The result is a polarizable model for aliphatic ketones and aldehydes including the acyclic sugars d-allose and d-psicose, thereby extending the available biomolecules in the Drude polarizable FF.

Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates.

PubMed

Small, Meagan C; Aytenfisu, Asaminew H; Lin, Fang-Yu; He, Xibing; MacKerell, Alexander D

2017-04-01

The majority of computer simulations exploring biomolecular function employ Class I additive force fields (FF), which do not treat polarization explicitly. Accordingly, much effort has been made into developing models that go beyond the additive approximation. Development and optimization of the Drude polarizable FF has yielded parameters for selected lipids, proteins, DNA and a limited number of carbohydrates. The work presented here details parametrization of aliphatic aldehydes and ketones (viz. acetaldehyde, propionaldehyde, butaryaldehyde, isobutaryaldehyde, acetone, and butanone) as well as their associated acyclic sugars (D-allose and D-psicose). LJ parameters are optimized targeting experimental heats of vaporization and molecular volumes, while the electrostatic parameters are optimized targeting QM water interactions, dipole moments, and molecular polarizabilities. Bonded parameters are targeted to both QM and crystal survey values, with the models for ketones and aldehydes shown to be in good agreement with QM and experimental target data. The reported heats of vaporization and molecular volumes represent a compromise between the studied model compounds. Simulations of the model compounds show an increase in the magnitude and the fluctuations of the dipole moments in moving from gas phase to condensed phases, which is a phenomenon that the additive FF is intrinsically unable to reproduce. The result is a polarizable model for aliphatic ketones and aldehydes including the acyclic sugars D-allose and D-psicose, thereby extending the available biomolecules in the Drude polarizable FF.

Drude Polarizable Force Field for Aliphatic Ketones and Aldehydes, and their Associated Acyclic Carbohydrates

PubMed Central

Small, Meagan C.; Aytenfisu, Asaminew H.; Lin, Fang-Yu; He, Xibing; MacKerell, Alexander D.

2017-01-01

The majority of computer simulations exploring biomolecular function employ Class I additive force fields (FF), which do not treat polarization explicitly. Accordingly, much effort has been made into developing models that go beyond the additive approximation. Development and optimization of the Drude polarizable FF has yielded parameters for selected lipids, proteins, DNA and a limited number of carbohydrates. The work presented here details parametrization of aliphatic aldehydes and ketones (viz. acetaldehyde, propionaldehyde, butaryaldehyde, isobutaryaldehyde, acetone, and butanone) as well as their associated acyclic sugars (D-allose and D-psicose). LJ parameters are optimized targeting experimental heats of vaporization and molecular volumes, while the electrostatic parameters are optimized targeting QM water interactions, dipole moments, and molecular polarizabilities. Bonded parameters are targeted to both QM and crystal survey values, with the models for ketones and aldehydes shown to be in good agreement with QM and experimental target data. The reported heats of vaporization and molecular volumes represent a compromise between the studied model compounds. Simulations of the model compounds show an increase in the magnitude and the fluctuations of the dipole moments in moving from gas phase to condensed phases, which is a phenomenon that the additive FF is intrinsically unable to reproduce. The result is a polarizable model for aliphatic ketones and aldehydes including the acyclic sugars D-allose and D-psicose, thereby extending the available biomolecules in the Drude polarizable FF. PMID:28190218

Aerodynamic static stability and control effectiveness of a parametric shuttle launch configuration

NASA Technical Reports Server (NTRS)

Ramsey, P. E.

1972-01-01

Experimental aerodynamic investigations were conducted in the NASA/MSFC 14-inch Trisonic Wind Tunnel on a 0.004-scale model of the NR ATP baseline Shuttle launch configuration. The test model consisted of the NR ATP baseline orbiter, external tank, and SRB's with nozzles. Six component aerodynamic force and moment data were recorded over an angle of attack range from minus 10 deg to 10 deg at zero degrees sideslip and angle of sideslip range of minus 10 deg to 10 deg at zero angle of attack for a Mach range of 0.6 to 4.96. Rudder flare was constant at 10 deg during the entire test. The purpose of the test was to define the performance, stability, and control characteristics of the launch configuration as well as to investigate the buildup effect of two geometrical parameters.

Static force field representation of environments based on agents' nonlinear motions

NASA Astrophysics Data System (ADS)

Campo, Damian; Betancourt, Alejandro; Marcenaro, Lucio; Regazzoni, Carlo

2017-12-01

This paper presents a methodology that aims at the incremental representation of areas inside environments in terms of attractive forces. It is proposed a parametric representation of velocity fields ruling the dynamics of moving agents. It is assumed that attractive spots in the environment are responsible for modifying the motion of agents. A switching model is used to describe near and far velocity fields, which in turn are used to learn attractive characteristics of environments. The effect of such areas is considered radial over all the scene. Based on the estimation of attractive areas, a map that describes their effects in terms of their localizations, ranges of action, and intensities is derived in an online way. Information of static attractive areas is added dynamically into a set of filters that describes possible interactions between moving agents and an environment. The proposed approach is first evaluated on synthetic data; posteriorly, the method is applied on real trajectories coming from moving pedestrians in an indoor environment.

Numerical investigation of the effects of compressibility on the flutter of a cantilevered plate in an inviscid, subsonic, open flow

NASA Astrophysics Data System (ADS)

Colera, Manuel; Pérez-Saborid, Miguel

2018-06-01

We have carried out a numerical study of the influence of the upstream Mach number on the flutter of a two-dimensional, cantilevered, flexible plate subject to a subsonic, inviscid, open flow. We have assumed a linear elastic model for the plate and that the fluid flow is governed by the linearized potential theory. The fluid equations are solved with a novel frequency-domain, finite differences method to obtain the generalized aerodynamic forces as a function of the plate displacements. Then, these generalized forces are coupled to the equation of motion of the plate and an eigenvalue analysis is performed to find the flutter point. The obtained results are in good agreement with those of related theoretical and experimental studies found in the literature. To the best of our knowledge, the analysis performed here is the first self-consistent, parametric study of the influence of the compressibility on the flutter point of a two-dimensional cantilevered plate in subsonic flow.

The coupled dynamics of fluids and spacecraft in low gravity and low gravity fluid measurement

NASA Technical Reports Server (NTRS)

Hansman, R. John; Peterson, Lee D.; Crawley, Edward F.

1987-01-01

The very large mass fraction of liquids stored on broad current and future generation spacecraft has made critical the technologies of describing the fluid-spacecraft dynamics and measuring or gauging the fluid. Combined efforts in these areas are described, and preliminary results are presented. The coupled dynamics of fluids and spacecraft in low gravity study is characterizing the parametric behavior of fluid-spacecraft systems in which interaction between the fluid and spacecraft dynamics is encountered. Particular emphasis is given to the importance of nonlinear fluid free surface phenomena to the coupled dynamics. An experimental apparatus has been developed for demonstrating a coupled fluid-spacecraft system. In these experiments, slosh force signals are fed back to a model tank actuator through a tunable analog second order integration circuit. In this manner, the tank motion is coupled to the resulting slosh force. Results are being obtained in 1-g and in low-g (on the NASA KC-135) using dynamic systems nondimensionally identical except for the Bond numbers.

A projection-based model reduction strategy for the wave and vibration analysis of rotating periodic structures

NASA Astrophysics Data System (ADS)

Beli, D.; Mencik, J.-M.; Silva, P. B.; Arruda, J. R. F.

2018-05-01

The wave finite element method has proved to be an efficient and accurate numerical tool to perform the free and forced vibration analysis of linear reciprocal periodic structures, i.e. those conforming to symmetrical wave fields. In this paper, its use is extended to the analysis of rotating periodic structures, which, due to the gyroscopic effect, exhibit asymmetric wave propagation. A projection-based strategy which uses reduced symplectic wave basis is employed, which provides a well-conditioned eigenproblem for computing waves in rotating periodic structures. The proposed formulation is applied to the free and forced response analysis of homogeneous, multi-layered and phononic ring structures. In all test cases, the following features are highlighted: well-conditioned dispersion diagrams, good accuracy, and low computational time. The proposed strategy is particularly convenient in the simulation of rotating structures when parametric analysis for several rotational speeds is usually required, e.g. for calculating Campbell diagrams. This provides an efficient and flexible framework for the analysis of rotordynamic problems.

Numerical investigation of hypersonic exhaust plume/afterbody flow fields

NASA Astrophysics Data System (ADS)

Edwards, T. A.

An upwind, implicit Navier-Stokes computer program has been applied to hypersonic exhaust plume/afterbody flowfields. The sensitivity of gross thrust to operating conditions has been assessed through parametric variations. Comparison of the numerical results with available experimental data shows good agreement in all cases investigated. Results show that, for moderately underexpanded jets, the afterbody force varies linearly with the nozzle exit pressure. Exhaust gases with low isentropic exponents (gamma) were found to contribute up to 25 percent more afterbody force than high-gamma exhaust gases. Modifying the nozzle geometry influenced the exhaust plume development, which had a significant effect on the afterbody force. Grid density, while important to resolving the initial plume/afterbody interaction, had only a minor impact on the resultant afterbody force.

Exploring the Mass Balance and Sea Level Contribution of Global Glaciers During the Last Interglaciation and Mid-Holocene

NASA Astrophysics Data System (ADS)

Smith, S.; Ullman, D. J.; He, F.; Carlson, A. E.; Marzeion, B.; Maussion, F.

2017-12-01

Understanding the behavior of the world's glaciers during previous interglaciations is key to interpreting the sensitivity and behavior of the cryosphere under scenarios of future anthropogenic warming. Previous studies of the Last Interglaciation (LIG, 130 ka to 116 ka) indicate elevated global temperatures and higher sea levels than the Holocene, but most assessments of the impact on the cryosphere have focused on the mass balance and volume change of polar ice sheets. In assessing sea-level sources, most studies assume complete deglacation of global glaciers, but this has yet to be tested. In addition, the significant changes in orbital forcing during the LIG and the associated impacts on climate seasonality and variability may have led to unique glacier evolution.Here, we explore the effect of LIG climate on the global glacier budget. We employ the Open Global Glacier Model (OGGM), forced by simulated LIG equilibrium climate anomalies (127 ka) from the Community Climate System Model Version 3 (CCSM3). OGGM is a glacier mass balance and dynamics model, specifically designed to reconstruct global glacier volume change. Our simulations have been conducted in an equilibrium state to determine the effect of the prolonged climate forcing of the LIG. Due to unknown flow characteristics of glaciers during the LIG, we explore the parametric uncertainty in the mass balance and flow sensitivity parameters. As a point of comparison, we also conduct a series of simulations using forcing anomalies from the CCSM3 mid-Holocene (6 ka) experiment. Results from both experiments show that glacier mass balance is highly sensitive to these sensitivity parameters, pointing at the need for glacier margin calibration for OGGM in paleoclimate applications.

Parametric analysis of ATM solar array.

NASA Technical Reports Server (NTRS)

Singh, B. K.; Adkisson, W. B.

1973-01-01

The paper discusses the methods used for the calculation of ATM solar array performance characteristics and provides the parametric analysis of solar panels used in SKYLAB. To predict the solar array performance under conditions other than test conditions, a mathematical model has been developed. Four computer programs have been used to convert the solar simulator test data to the parametric curves. The first performs module summations, the second determines average solar cell characteristics which will cause a mathematical model to generate a curve matching the test data, the third is a polynomial fit program which determines the polynomial equations for the solar cell characteristics versus temperature, and the fourth program uses the polynomial coefficients generated by the polynomial curve fit program to generate the parametric data.

The First Ionization Potential Effect from the Ponderomotive Force: On the Polarization and Coronal Origin of Alfvén Waves

NASA Astrophysics Data System (ADS)

Laming, J. Martin

2017-08-01

We investigate in more detail the origin of chromospheric Alfvén waves that give rise to the separation of ions and neutrals—the first ionization potential (FIP) effect—through the action of the ponderomotive force. In open field regions, we model the dependence of fractionation on the plasma upflow velocity through the chromosphere for both shear (or planar) and torsional Alfvén waves of photospheric origin. These differ mainly in their parametric coupling to slow mode waves. Shear Alfvén waves appear to reproduce observed fractionations for a wider range of model parameters and present less of a “fine-tuning” problem than do torsional waves. In closed field regions, we study the fractionations produced by Alfvén waves with photospheric and coronal origins. Waves with a coronal origin, at or close to resonance with the coronal loop, offer a significantly better match to observed abundances than do photospheric waves, with shear and torsional waves in such a case giving essentially indistinguishable fractionations. Such coronal waves are likely the result of a nanoflare coronal heating mechanism that, as well as heating coronal plasmas, releases Alfvén waves that can travel down to loop footpoints and cause FIP fractionation through the ponderomotive force as they reflect from the chromosphere back into the corona.

The First Ionization Potential Effect from the Ponderomotive Force: On the Polarization and Coronal Origin of Alfvén Waves

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

Laming, J. Martin, E-mail: laming@nrl.navy.mil

We investigate in more detail the origin of chromospheric Alfvén waves that give rise to the separation of ions and neutrals—the first ionization potential (FIP) effect—through the action of the ponderomotive force. In open field regions, we model the dependence of fractionation on the plasma upflow velocity through the chromosphere for both shear (or planar) and torsional Alfvén waves of photospheric origin. These differ mainly in their parametric coupling to slow mode waves. Shear Alfvén waves appear to reproduce observed fractionations for a wider range of model parameters and present less of a “fine-tuning” problem than do torsional waves. Inmore » closed field regions, we study the fractionations produced by Alfvén waves with photospheric and coronal origins. Waves with a coronal origin, at or close to resonance with the coronal loop, offer a significantly better match to observed abundances than do photospheric waves, with shear and torsional waves in such a case giving essentially indistinguishable fractionations. Such coronal waves are likely the result of a nanoflare coronal heating mechanism that, as well as heating coronal plasmas, releases Alfvén waves that can travel down to loop footpoints and cause FIP fractionation through the ponderomotive force as they reflect from the chromosphere back into the corona.« less

Load-Based Lower Neck Injury Criteria for Females from Rear Impact from Cadaver Experiments.

PubMed

Yoganandan, Narayan; Pintar, Frank A; Banerjee, Anjishnu

2017-05-01

The objectives of this study were to derive lower neck injury metrics/criteria and injury risk curves for the force, moment, and interaction criterion in rear impacts for females. Biomechanical data were obtained from previous intact and isolated post mortem human subjects and head-neck complexes subjected to posteroanterior accelerative loading. Censored data were used in the survival analysis model. The primary shear force, sagittal bending moment, and interaction (lower neck injury criterion, LN ic ) metrics were significant predictors of injury. The most optimal distribution was selected (Weibulll, log normal, or log logistic) using the Akaike information criterion according to the latest ISO recommendations for deriving risk curves. The Kolmogorov-Smirnov test was used to quantify robustness of the assumed parametric model. The intercepts for the interaction index were extracted from the primary risk curves. Normalized confidence interval sizes (NCIS) were reported at discrete probability levels, along with the risk curves and 95% confidence intervals. The mean force of 214 N, moment of 54 Nm, and 0.89 LN ic were associated with a five percent probability of injury. The NCIS for these metrics were 0.90, 0.95, and 0.85. These preliminary results can be used as a first step in the definition of lower neck injury criteria for women under posteroanterior accelerative loading in crashworthiness evaluations.

Multi-modal vibration amplitudes of taut inclined cables due to direct and/or parametric excitation

NASA Astrophysics Data System (ADS)

Macdonald, J. H. G.

2016-02-01

Cables are often prone to potentially damaging large amplitude vibrations. The dynamic excitation may be from external loading or motion of the cable ends, the latter including direct excitation, normally from components of end motion transverse to the cable, and parametric excitation induced by axial components of end motion causing dynamic tension variations. Geometric nonlinearity can be important, causing stiffening behaviour and nonlinear modal coupling. Previous analyses of the vibrations, often neglecting sag, have generally dealt with direct and parametric excitation separately or have reverted to numerical solutions of the responses. Here a nonlinear cable model is adopted, applicable to taut cables such as on cable-stayed bridges, that allows for cable inclination, small sag (such that the vibration modes are similar to those of a taut string), multiple modes in both planes and end motion and/or external forcing close to any natural frequency. Based on the method of scaling and averaging it is found that, for sinusoidal inputs and positive damping, non-zero steady state responses can only occur in the modes in each plane with natural frequencies close to the excitation frequency and those with natural frequencies close to half this frequency. Analytical solutions, in the form of non-dimensional polynomial equations, are derived for the steady state vibration amplitudes in up to three modes simultaneously: the directly excited mode, the corresponding nonlinearly coupled mode in the orthogonal plane and a parametrically excited mode with half the natural frequency. The stability of the solutions is also identified. The outputs of the equations are consistent with previous results, where available. Example results from the analytical solutions are presented for a typical inclined bridge cable subject to vertical excitation of the lower end, and they are validated by numerical integration of the equations of motion and against some previous experimental results. It is shown that the modal interactions and sag (although very small) affect the responses significantly.

Sgr A* Emission Parametrizations from GRMHD Simulations

NASA Astrophysics Data System (ADS)

Anantua, Richard; Ressler, Sean; Quataert, Eliot

2018-06-01

Galactic Center emission near the vicinity of the central black hole, Sagittarius (Sgr) A*, is modeled using parametrizations involving the electron temperature, which is found from general relativistic magnetohydrodynamic (GRMHD) simulations to be highest in the disk-outflow corona. Jet-motivated prescriptions generalizing equipartition of particle and magnetic energies, e.g., by scaling relativistic electron energy density to powers of the magnetic field strength, are also introduced. GRMHD jet (or outflow)/accretion disk/black hole (JAB) simulation postprocessing codes IBOTHROS and GRMONTY are employed in the calculation of images and spectra. Various parametric models reproduce spectral and morphological features, such as the sub-mm spectral bump in electron temperature models and asymmetric photon rings in equipartition-based models. The Event Horizon Telescope (EHT) will provide unprecedentedly high-resolution 230+ GHz observations of the "shadow" around Sgr A*'s supermassive black hole, which the synthetic models presented here will reverse-engineer. Both electron temperature and equipartition-based models can be constructed to be compatible with EHT size constraints for the emitting region of Sgr A*. This program sets the groundwork for devising a unified emission parametrization flexible enough to model disk, corona and outflow/jet regions with a small set of parameters including electron heating fraction and plasma beta.

A Parametric Computational Model of the Action Potential of Pacemaker Cells.

PubMed

Ai, Weiwei; Patel, Nitish D; Roop, Partha S; Malik, Avinash; Andalam, Sidharta; Yip, Eugene; Allen, Nathan; Trew, Mark L

2018-01-01

A flexible, efficient, and verifiable pacemaker cell model is essential to the design of real-time virtual hearts that can be used for closed-loop validation of cardiac devices. A new parametric model of pacemaker action potential is developed to address this need. The action potential phases are modeled using hybrid automaton with one piecewise-linear continuous variable. The model can capture rate-dependent dynamics, such as action potential duration restitution, conduction velocity restitution, and overdrive suppression by incorporating nonlinear update functions. Simulated dynamics of the model compared well with previous models and clinical data. The results show that the parametric model can reproduce the electrophysiological dynamics of a variety of pacemaker cells, such as sinoatrial node, atrioventricular node, and the His-Purkinje system, under varying cardiac conditions. This is an important contribution toward closed-loop validation of cardiac devices using real-time heart models.

Fitting C 2 Continuous Parametric Surfaces to Frontiers Delimiting Physiologic Structures

PubMed Central

Bayer, Jason D.

2014-01-01

We present a technique to fit C 2 continuous parametric surfaces to scattered geometric data points forming frontiers delimiting physiologic structures in segmented images. Such mathematical representation is interesting because it facilitates a large number of operations in modeling. While the fitting of C 2 continuous parametric curves to scattered geometric data points is quite trivial, the fitting of C 2 continuous parametric surfaces is not. The difficulty comes from the fact that each scattered data point should be assigned a unique parametric coordinate, and the fit is quite sensitive to their distribution on the parametric plane. We present a new approach where a polygonal (quadrilateral or triangular) surface is extracted from the segmented image. This surface is subsequently projected onto a parametric plane in a manner to ensure a one-to-one mapping. The resulting polygonal mesh is then regularized for area and edge length. Finally, from this point, surface fitting is relatively trivial. The novelty of our approach lies in the regularization of the polygonal mesh. Process performance is assessed with the reconstruction of a geometric model of mouse heart ventricles from a computerized tomography scan. Our results show an excellent reproduction of the geometric data with surfaces that are C 2 continuous. PMID:24782911

Parametric soil water retention models: a critical evaluation of expressions for the full moisture range

NASA Astrophysics Data System (ADS)

Madi, Raneem; Huibert de Rooij, Gerrit; Mielenz, Henrike; Mai, Juliane

2018-02-01

Few parametric expressions for the soil water retention curve are suitable for dry conditions. Furthermore, expressions for the soil hydraulic conductivity curves associated with parametric retention functions can behave unrealistically near saturation. We developed a general criterion for water retention parameterizations that ensures physically plausible conductivity curves. Only 3 of the 18 tested parameterizations met this criterion without restrictions on the parameters of a popular conductivity curve parameterization. A fourth required one parameter to be fixed. We estimated parameters by shuffled complex evolution (SCE) with the objective function tailored to various observation methods used to obtain retention curve data. We fitted the four parameterizations with physically plausible conductivities as well as the most widely used parameterization. The performance of the resulting 12 combinations of retention and conductivity curves was assessed in a numerical study with 751 days of semiarid atmospheric forcing applied to unvegetated, uniform, 1 m freely draining columns for four textures. Choosing different parameterizations had a minor effect on evaporation, but cumulative bottom fluxes varied by up to an order of magnitude between them. This highlights the need for a careful selection of the soil hydraulic parameterization that ideally does not only rely on goodness of fit to static soil water retention data but also on hydraulic conductivity measurements. Parameter fits for 21 soils showed that extrapolations into the dry range of the retention curve often became physically more realistic when the parameterization had a logarithmic dry branch, particularly in fine-textured soils where high residual water contents would otherwise be fitted.

Effects of wing/elevon gap sealing flapper doors on orbiter elevon effectiveness of model 16-0 in the NAAL 7.75 by 11 foot continuous flow wind tunnel (OA119A)

NASA Technical Reports Server (NTRS)

Mennell, R.

1974-01-01

Space shuttle orbiter elevon effectiveness was measured with the 6 inch elevon/elevon and elevon/fuselage gaps and various configurations of wing/elevon upper hingeline gap sealing flapper doors. The elevon configuration parametric variations consisted of sealing the lower hingeline to prevent flow-through and testing a long chord flapper door, a short chord flapper door, no flapper door (elevon/wing gap upper hingeline completely open), and a completely sealed elevon at elevon deflections from +20 deg to -40 deg. Preliminary data analysis indicates loss of elevon effectiveness at deflections more negative than -20 deg, and little or no effect of flapper door configuration on elevon effectiveness. Flow visualization photographs taken at alpha = 15 deg for two flapper door configurations substantiated the force data results. Aerodynamic force and moment data were measured in the body axis by a 2.5 inch task type internal strain gage balance. The model was sting supported through the base region with a nominal angle of attack range of -10 deg less than or equal to alpha less than or equal to 24 deg at a model angle of sideslip of Beta equal to 0 deg.

Computational modeling of magnetic nanoparticle targeting to stent surface under high gradient field

PubMed Central

Wang, Shunqiang; Zhou, Yihua; Tan, Jifu; Xu, Jiang; Yang, Jie; Liu, Yaling

2014-01-01

A multi-physics model was developed to study the delivery of magnetic nanoparticles (MNPs) to the stent-implanted region under an external magnetic field. The model is firstly validated by experimental work in literature. Then, effects of external magnetic field strength, magnetic particle size, and flow velocity on MNPs’ targeting and binding have been analyzed through a parametric study. Two new dimensionless numbers were introduced to characterize relative effects of Brownian motion (BM), magnetic force induced particle motion, and convective blood flow on MNPs motion. It was found that larger magnetic field strength, bigger MNP size, and slower flow velocity increase the capture efficiency of MNPs. The distribution of captured MNPs on the vessel along axial and azimuthal directions was also discussed. Results showed that the MNPs density decreased exponentially along axial direction after one-dose injection while it was uniform along azimuthal direction in the whole stented region (averaged over all sections). For the beginning section of the stented region, the density ratio distribution of captured MNPs along azimuthal direction is center-symmetrical, corresponding to the center-symmetrical distribution of magnetic force in that section. Two different generation mechanisms are revealed to form four main attraction regions. These results could serve as guidelines to design a better magnetic drug delivery system. PMID:24653546

A pervasive visual-haptic framework for virtual delivery training.

PubMed

Abate, Andrea F; Acampora, Giovanni; Loia, Vincenzo; Ricciardi, Stefano; Vasilakos, Athanasios V

2010-03-01

Thanks to the advances of voltage regulator (VR) technologies and haptic systems, virtual simulators are increasingly becoming a viable alternative to physical simulators in medicine and surgery, though many challenges still remain. In this study, a pervasive visual-haptic framework aimed to the training of obstetricians and midwives to vaginal delivery is described. The haptic feedback is provided by means of two hand-based haptic devices able to reproduce force-feedbacks on fingers and arms, thus enabling a much more realistic manipulation respect to stylus-based solutions. The interactive simulation is not solely driven by an approximated model of complex forces and physical constraints but, instead, is approached by a formal modeling of the whole labor and of the assistance/intervention procedures performed by means of a timed automata network and applied to a parametrical 3-D model of the anatomy, able to mimic a wide range of configurations. This novel methodology is able to represent not only the sequence of the main events associated to either a spontaneous or to an operative childbirth process, but also to help in validating the manual intervention as the actions performed by the user during the simulation are evaluated according to established medical guidelines. A discussion on the first results as well as on the challenges still unaddressed is included.

Digital current regulator for proportional electro-hydraulic valves with unknown disturbance rejection.

PubMed

Canuto, Enrico; Acuña-Bravo, Wilber; Agostani, Marco; Bonadei, Marco

2014-07-01

Solenoid current regulation is well-known and standard in any proportional electro-hydraulic valve. The goal is to provide a wide-band transfer function from the reference to the measured current, thus making the solenoid a fast and ideal force actuator within the limits of the power supplier. The power supplier is usually a Pulse Width Modulation (PWM) amplifier fixing the voltage bound and the Nyquist frequency of the regulator. Typical analog regulators include three main terms: a feedforward channel, a proportional feedback channel and the electromotive force compensation. The latter compensation may be accomplished by integrative feedback. Here the problem is faced through a model-based design (Embedded Model Control), on the basis of a wide-band embedded model of the solenoid which includes the effect of eddy currents. To this end model parameters must be identified. The embedded model includes a stochastic disturbance dynamics capable of estimating and correcting the electromotive contribution together with parametric uncertainty, variability and state dependence. The embedded model which is fed by the measured current and the supplied voltage becomes a state predictor of the controllable and disturbance dynamics. The control law combines reference generator, state feedback and disturbance rejection to dispatch the PWM amplifier with the appropriate duty cycle. Modeling, identification and control design are outlined together with experimental result. Comparison with an existing analog regulator is also provided. © 2013 ISA. Published by Elsevier Ltd. All rights reserved.

Self-tuning bistable parametric feedback oscillator: Near-optimal amplitude maximization without model information

NASA Astrophysics Data System (ADS)

Braun, David J.; Sutas, Andrius; Vijayakumar, Sethu

2017-01-01

Theory predicts that parametrically excited oscillators, tuned to operate under resonant condition, are capable of large-amplitude oscillation useful in diverse applications, such as signal amplification, communication, and analog computation. However, due to amplitude saturation caused by nonlinearity, lack of robustness to model uncertainty, and limited sensitivity to parameter modulation, these oscillators require fine-tuning and strong modulation to generate robust large-amplitude oscillation. Here we present a principle of self-tuning parametric feedback excitation that alleviates the above-mentioned limitations. This is achieved using a minimalistic control implementation that performs (i) self-tuning (slow parameter adaptation) and (ii) feedback pumping (fast parameter modulation), without sophisticated signal processing past observations. The proposed approach provides near-optimal amplitude maximization without requiring model-based control computation, previously perceived inevitable to implement optimal control principles in practical application. Experimental implementation of the theory shows that the oscillator self-tunes itself near to the onset of dynamic bifurcation to achieve extreme sensitivity to small resonant parametric perturbations. As a result, it achieves large-amplitude oscillations by capitalizing on the effect of nonlinearity, despite substantial model uncertainties and strong unforeseen external perturbations. We envision the present finding to provide an effective and robust approach to parametric excitation when it comes to real-world application.

Influence of stochastic sea ice parametrization on climate and the role of atmosphere–sea ice–ocean interaction

PubMed Central

Juricke, Stephan; Jung, Thomas

2014-01-01

The influence of a stochastic sea ice strength parametrization on the mean climate is investigated in a coupled atmosphere–sea ice–ocean model. The results are compared with an uncoupled simulation with a prescribed atmosphere. It is found that the stochastic sea ice parametrization causes an effective weakening of the sea ice. In the uncoupled model this leads to an Arctic sea ice volume increase of about 10–20% after an accumulation period of approximately 20–30 years. In the coupled model, no such increase is found. Rather, the stochastic perturbations lead to a spatial redistribution of the Arctic sea ice thickness field. A mechanism involving a slightly negative atmospheric feedback is proposed that can explain the different responses in the coupled and uncoupled system. Changes in integrated Antarctic sea ice quantities caused by the stochastic parametrization are generally small, as memory is lost during the melting season because of an almost complete loss of sea ice. However, stochastic sea ice perturbations affect regional sea ice characteristics in the Southern Hemisphere, both in the uncoupled and coupled model. Remote impacts of the stochastic sea ice parametrization on the mean climate of non-polar regions were found to be small. PMID:24842027

Implicit Priors in Galaxy Cluster Mass and Scaling Relation Determinations

NASA Technical Reports Server (NTRS)

Mantz, A.; Allen, S. W.

2011-01-01

Deriving the total masses of galaxy clusters from observations of the intracluster medium (ICM) generally requires some prior information, in addition to the assumptions of hydrostatic equilibrium and spherical symmetry. Often, this information takes the form of particular parametrized functions used to describe the cluster gas density and temperature profiles. In this paper, we investigate the implicit priors on hydrostatic masses that result from this fully parametric approach, and the implications of such priors for scaling relations formed from those masses. We show that the application of such fully parametric models of the ICM naturally imposes a prior on the slopes of the derived scaling relations, favoring the self-similar model, and argue that this prior may be influential in practice. In contrast, this bias does not exist for techniques which adopt an explicit prior on the form of the mass profile but describe the ICM non-parametrically. Constraints on the slope of the cluster mass-temperature relation in the literature show a separation based the approach employed, with the results from fully parametric ICM modeling clustering nearer the self-similar value. Given that a primary goal of scaling relation analyses is to test the self-similar model, the application of methods subject to strong, implicit priors should be avoided. Alternative methods and best practices are discussed.

Bounded Parametric Model Checking for Elementary Net Systems

NASA Astrophysics Data System (ADS)

Knapik, Michał; Szreter, Maciej; Penczek, Wojciech

Bounded Model Checking (BMC) is an efficient verification method for reactive systems. BMC has been applied so far to verification of properties expressed in (timed) modal logics, but never to their parametric extensions. In this paper we show, for the first time that BMC can be extended to PRTECTL - a parametric extension of the existential version of CTL. To this aim we define a bounded semantics and a translation from PRTECTL to SAT. The implementation of the algorithm for Elementary Net Systems is presented, together with some experimental results.

Parametric nanomechanical amplification at very high frequency.

PubMed

Karabalin, R B; Feng, X L; Roukes, M L

2009-09-01

Parametric resonance and amplification are important in both fundamental physics and technological applications. Here we report very high frequency (VHF) parametric resonators and mechanical-domain amplifiers based on nanoelectromechanical systems (NEMS). Compound mechanical nanostructures patterned by multilayer, top-down nanofabrication are read out by a novel scheme that parametrically modulates longitudinal stress in doubly clamped beam NEMS resonators. Parametric pumping and signal amplification are demonstrated for VHF resonators up to approximately 130 MHz and provide useful enhancement of both resonance signal amplitude and quality factor. We find that Joule heating and reduced thermal conductance in these nanostructures ultimately impose an upper limit to device performance. We develop a theoretical model to account for both the parametric response and nonequilibrium thermal transport in these composite nanostructures. The results closely conform to our experimental observations, elucidate the frequency and threshold-voltage scaling in parametric VHF NEMS resonators and sensors, and establish the ultimate sensitivity limits of this approach.

Multilevel mixed effects parametric survival models using adaptive Gauss-Hermite quadrature with application to recurrent events and individual participant data meta-analysis.

PubMed

Crowther, Michael J; Look, Maxime P; Riley, Richard D

2014-09-28

Multilevel mixed effects survival models are used in the analysis of clustered survival data, such as repeated events, multicenter clinical trials, and individual participant data (IPD) meta-analyses, to investigate heterogeneity in baseline risk and covariate effects. In this paper, we extend parametric frailty models including the exponential, Weibull and Gompertz proportional hazards (PH) models and the log logistic, log normal, and generalized gamma accelerated failure time models to allow any number of normally distributed random effects. Furthermore, we extend the flexible parametric survival model of Royston and Parmar, modeled on the log-cumulative hazard scale using restricted cubic splines, to include random effects while also allowing for non-PH (time-dependent effects). Maximum likelihood is used to estimate the models utilizing adaptive or nonadaptive Gauss-Hermite quadrature. The methods are evaluated through simulation studies representing clinically plausible scenarios of a multicenter trial and IPD meta-analysis, showing good performance of the estimation method. The flexible parametric mixed effects model is illustrated using a dataset of patients with kidney disease and repeated times to infection and an IPD meta-analysis of prognostic factor studies in patients with breast cancer. User-friendly Stata software is provided to implement the methods. Copyright © 2014 John Wiley & Sons, Ltd.

Bearing Tester Data Compilation Analysis, and Reporting and Bearing Math Modeling

NASA Technical Reports Server (NTRS)

1985-01-01

The magnitude and direction of fluid induced torques and forces on the 57 mm bearing cage is considered to be a contributing factor in possible cage instabilities that can produce intermittent high heating in the bearing. Analyses of the fluid forces and torques are presented. Heat generated by viscous fluid work was estimated for two flow diverter configurations and a coolant flow of 10 lbs/sec to support the thermal evaluation of the LOX Bearing Materials Tester. Results of the analysis of the LOX turbopump turbine end bearings are discussed. Coolant velocities for the no. 4 LOX turbopump turbine end bearings were estimated as a function of shaft speed and coolant flow rate. Contact angles and track width data were developed for the 57 mm bearing as functions of shaft speed, and axial and radial loads. The Advanced Dynamics of Rolling Elements (ADORE) computer program was installed on the MSFC UNIVAC 1100 and a test case successfully run. Both the text output and the plotting output were verified. The Bearing Seal and Materials Tester - Test Condition Data Base was developed. The parametric analysis of the operating characteristics of the LOX turbopump pump end bearing using the 45 mm bearing thermal model was begun.

The scaling and dynamics of a projectile obliquely impacting a granular medium.

PubMed

Wang, Dengming; Ye, Xiaoyan; Zheng, Xiaojing

2012-01-01

In this paper, the dynamics of a spherical projectile obliquely impacting into a two-dimensional granular bed is numerically investigated using the discrete element method. The influences of projectile's initial velocities and impacting angles are mainly considered. Numerical results show that the relationship between the final penetration depth and the initial impact velocity is very similar to that in the vertical-impact case. However, the dependence of the stopping time on the impact velocity of the projectile exhibits critical characteristics at different impact angles: the stopping time approximately increases linearly with the impact velocity for small impact angles but decreases in an exponential form for larger impact angles, which demonstrates the existence of two different regimes at low and high impact angles. When the impact angle is regarded as a parametric variable, a phenomenological force model at large impact angles is eventually proposed based on the simulation results, which can accurately describe the nature of the resistance force exerted on the projectile by the granular medium at different impact angels during the whole oblique-impact process. The degenerate model agrees well with the existing experimental results in the vertical-impact cases.

Study of Solid Particle Behavior in High Temperature Gas Flows

NASA Astrophysics Data System (ADS)

Majid, A.; Bauder, U.; Stindl, T.; Fertig, M.; Herdrich, G.; Röser, H.-P.

2009-01-01

The Euler-Lagrangian approach is used for the simulation of solid particles in hypersonic entry flows. For flow field simulation, the program SINA (Sequential Iterative Non-equilibrium Algorithm) developed at the Institut für Raumfahrtsysteme is used. The model for the effect of the carrier gas on a particle includes drag force and particle heating only. Other parameters like lift Magnus force or damping torque are not taken into account so far. The reverse effect of the particle phase on the gaseous phase is currently neglected. Parametric analysis is done regarding the impact of variation in the physical input conditions like position, velocity, size and material of the particle. Convective heat fluxes onto the surface of the particle and its radiative cooling are discussed. The variation of particle temperature under different conditions is presented. The influence of various input conditions on the trajectory is explained. A semi empirical model for the particle wall interaction is also discussed and the influence of the wall on the particle trajectory with different particle conditions is presented. The heat fluxes onto the wall due to impingement of particles are also computed and compared with the heat fluxes from the gas.

Sea-level response to melting of Antarctic ice shelves on multi-centennial timescales with the fast Elementary Thermomechanical Ice Sheet model (f.ETISh v1.0)

NASA Astrophysics Data System (ADS)

Pattyn, Frank

2017-08-01

The magnitude of the Antarctic ice sheet's contribution to global sea-level rise is dominated by the potential of its marine sectors to become unstable and collapse as a response to ocean (and atmospheric) forcing. This paper presents Antarctic sea-level response to sudden atmospheric and oceanic forcings on multi-centennial timescales with the newly developed fast Elementary Thermomechanical Ice Sheet (f.ETISh) model. The f.ETISh model is a vertically integrated hybrid ice sheet-ice shelf model with vertically integrated thermomechanical coupling, making the model two-dimensional. Its marine boundary is represented by two different flux conditions, coherent with power-law basal sliding and Coulomb basal friction. The model has been compared to existing benchmarks. Modelled Antarctic ice sheet response to forcing is dominated by sub-ice shelf melt and the sensitivity is highly dependent on basal conditions at the grounding line. Coulomb friction in the grounding-line transition zone leads to significantly higher mass loss in both West and East Antarctica on centennial timescales, leading to 1.5 m sea-level rise after 500 years for a limited melt scenario of 10 m a-1 under freely floating ice shelves, up to 6 m for a 50 m a-1 scenario. The higher sensitivity is attributed to higher ice fluxes at the grounding line due to vanishing effective pressure. Removing the ice shelves altogether results in a disintegration of the West Antarctic ice sheet and (partially) marine basins in East Antarctica. After 500 years, this leads to a 5 m and a 16 m sea-level rise for the power-law basal sliding and Coulomb friction conditions at the grounding line, respectively. The latter value agrees with simulations by DeConto and Pollard (2016) over a similar period (but with different forcing and including processes of hydrofracturing and cliff failure). The chosen parametrizations make model results largely independent of spatial resolution so that f.ETISh can potentially be integrated in large-scale Earth system models.

Revisiting dark energy models using differential ages of galaxies

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

Rani, Nisha; Mahajan, Shobhit; Mukherjee, Amitabha

In this work, we use a test based on the differential ages of galaxies for distinguishing the dark energy models. As proposed by Jimenez and Loeb in [1], relative ages of galaxies can be used to put constraints on various cosmological parameters. In the same vein, we reconstruct H {sub 0} {sub dt} / dz and its derivative ( H {sub 0} {sub d} {sup 2} {sup t} / dz {sup 2}) using a model independent technique called non-parametric smoothing . Basically, dt / dz is the change in the age of the object as a function of redshift whichmore » is directly linked with the Hubble parameter. Hence for reconstruction of this quantity, we use the most recent H ( z ) data. Further, we calculate H {sub 0} {sub dt} / dz and its derivative for several models like Phantom, Einstein de Sitter (EdS), ΛCDM, Chevallier-Polarski-Linder (CPL) parametrization, Jassal-Bagla-Padmanabhan (JBP) parametrization and Feng-Shen-Li-Li (FSLL) parametrization. We check the consistency of these models with the results of reconstruction obtained in a model independent way from the data. It is observed that H {sub 0} {sub dt} / dz as a tool is not able to distinguish between the ΛCDM, CPL, JBP and FSLL parametrizations but, as expected, EdS and Phantom models show noticeable deviation from the reconstructed results. Further, the derivative of H {sub 0} {sub dt} / dz for various dark energy models is more sensitive at low redshift. It is found that the FSLL model is not consistent with the reconstructed results, however, the ΛCDM model is in concordance with the 3σ region of the reconstruction at redshift z ≥ 0.3.« less

Parametric reduced models for the nonlinear Schrödinger equation

NASA Astrophysics Data System (ADS)

Harlim, John; Li, Xiantao

2015-05-01

Reduced models for the (defocusing) nonlinear Schrödinger equation are developed. In particular, we develop reduced models that only involve the low-frequency modes given noisy observations of these modes. The ansatz of the reduced parametric models are obtained by employing a rational approximation and a colored-noise approximation, respectively, on the memory terms and the random noise of a generalized Langevin equation that is derived from the standard Mori-Zwanzig formalism. The parameters in the resulting reduced models are inferred from noisy observations with a recently developed ensemble Kalman filter-based parametrization method. The forecasting skill across different temperature regimes are verified by comparing the moments up to order four, a two-time correlation function statistics, and marginal densities of the coarse-grained variables.

Parametric reduced models for the nonlinear Schrödinger equation.

PubMed

Harlim, John; Li, Xiantao

2015-05-01

Reduced models for the (defocusing) nonlinear Schrödinger equation are developed. In particular, we develop reduced models that only involve the low-frequency modes given noisy observations of these modes. The ansatz of the reduced parametric models are obtained by employing a rational approximation and a colored-noise approximation, respectively, on the memory terms and the random noise of a generalized Langevin equation that is derived from the standard Mori-Zwanzig formalism. The parameters in the resulting reduced models are inferred from noisy observations with a recently developed ensemble Kalman filter-based parametrization method. The forecasting skill across different temperature regimes are verified by comparing the moments up to order four, a two-time correlation function statistics, and marginal densities of the coarse-grained variables.

Force-field prediction of materials properties in metal-organic frameworks

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

Boyd, Peter G.; Moosavi, Seyed Mohamad; Witman, Matthew

In this work, MOF bulk properties are evaluated and compared using several force fields on several well-studied MOFs, including IRMOF-1 (MOF-5), IRMOF-10, HKUST-1, and UiO-66. It is found that, surprisingly, UFF and DREIDING provide good values for the bulk modulus and linear thermal expansion coefficients for these materials, excluding those that they are not parametrized for. Force fields developed specifically for MOFs including UFF4MOF, BTW-FF, and the DWES force field are also found to provide accurate values for these materials’ properties. While we find that each force field offers a moderately good picture of these properties, noticeable deviations can bemore » observed when looking at properties sensitive to framework vibrational modes. As a result, this observation is more pronounced upon the introduction of framework charges.« less

Force-field prediction of materials properties in metal-organic frameworks

DOE PAGES

Boyd, Peter G.; Moosavi, Seyed Mohamad; Witman, Matthew; ...

2016-12-23

In this work, MOF bulk properties are evaluated and compared using several force fields on several well-studied MOFs, including IRMOF-1 (MOF-5), IRMOF-10, HKUST-1, and UiO-66. It is found that, surprisingly, UFF and DREIDING provide good values for the bulk modulus and linear thermal expansion coefficients for these materials, excluding those that they are not parametrized for. Force fields developed specifically for MOFs including UFF4MOF, BTW-FF, and the DWES force field are also found to provide accurate values for these materials’ properties. While we find that each force field offers a moderately good picture of these properties, noticeable deviations can bemore » observed when looking at properties sensitive to framework vibrational modes. As a result, this observation is more pronounced upon the introduction of framework charges.« less

Vibrations and structureborne noise in space station

NASA Technical Reports Server (NTRS)

Vaicaitis, R.; Lyrintzis, C. S.; Bofilios, D. A.

1987-01-01

Analytical models were developed to predict vibrations and structureborne noise generation of cylindrical and rectangular acoustic enclosures. These models are then used to determine structural vibration levels and interior noise to random point input forces. The guidelines developed could provide preliminary information on acoustical and vibrational environments in space station habitability modules under orbital operations. The structural models include single wall monocoque shell, double wall shell, stiffened orthotropic shell, descretely stiffened flat panels, and a coupled system composed of a cantilever beam structure and a stiffened sidewall. Aluminum and fiber reinforced composite materials are considered for single and double wall shells. The end caps of the cylindrical enclosures are modeled either as single or double wall circular plates. Sound generation in the interior space is calculated by coupling the structural vibrations to the acoustic field in the enclosure. Modal methods and transfer matrix techniques are used to obtain structural vibrations. Parametric studies are performed to determine the sensitivity of interior noise environment to changes in input, geometric and structural conditions.

A continuum theory for two-phase flows of particulate solids: application to Poiseuille flows

NASA Astrophysics Data System (ADS)

Monsorno, Davide; Varsakelis, Christos; Papalexandris, Miltiadis V.

2015-11-01

In the first part of this talk, we present a novel two-phase continuum model for incompressible fluid-saturated granular flows. The model accounts for both compaction and shear-induced dilatancy and accommodates correlations for the granular rheology in a thermodynamically consistent way. In the second part of this talk, we exercise this two-phase model in the numerical simulation of a fully-developed Poiseuille flow of a dense suspension. The numerical predictions are shown to compare favorably against experimental measurements and confirm that the model can capture the important characteristics of the flow field, such as segregation and formation of plug zones. Finally, results from parametric studies with respect to the initial concentration, the magnitude of the external forcing and the width of the channel are presented and the role of these physical parameters is quantified. Financial Support has been provided by SEDITRANS, an Initial Training Network of the European Commission's 7th Framework Programme

Benchmark dose analysis via nonparametric regression modeling

PubMed Central

Piegorsch, Walter W.; Xiong, Hui; Bhattacharya, Rabi N.; Lin, Lizhen

2013-01-01

Estimation of benchmark doses (BMDs) in quantitative risk assessment traditionally is based upon parametric dose-response modeling. It is a well-known concern, however, that if the chosen parametric model is uncertain and/or misspecified, inaccurate and possibly unsafe low-dose inferences can result. We describe a nonparametric approach for estimating BMDs with quantal-response data based on an isotonic regression method, and also study use of corresponding, nonparametric, bootstrap-based confidence limits for the BMD. We explore the confidence limits’ small-sample properties via a simulation study, and illustrate the calculations with an example from cancer risk assessment. It is seen that this nonparametric approach can provide a useful alternative for BMD estimation when faced with the problem of parametric model uncertainty. PMID:23683057

Update on Parametric Cost Models for Space Telescopes

NASA Technical Reports Server (NTRS)

Stahl. H. Philip; Henrichs, Todd; Luedtke, Alexander; West, Miranda

2011-01-01

Since the June 2010 Astronomy Conference, an independent review of our cost data base discovered some inaccuracies and inconsistencies which can modify our previously reported results. This paper will review changes to the data base, our confidence in those changes and their effect on various parametric cost models

Bim Automation: Advanced Modeling Generative Process for Complex Structures

NASA Astrophysics Data System (ADS)

Banfi, F.; Fai, S.; Brumana, R.

2017-08-01

The new paradigm of the complexity of modern and historic structures, which are characterised by complex forms, morphological and typological variables, is one of the greatest challenges for building information modelling (BIM). Generation of complex parametric models needs new scientific knowledge concerning new digital technologies. These elements are helpful to store a vast quantity of information during the life cycle of buildings (LCB). The latest developments of parametric applications do not provide advanced tools, resulting in time-consuming work for the generation of models. This paper presents a method capable of processing and creating complex parametric Building Information Models (BIM) with Non-Uniform to NURBS) with multiple levels of details (Mixed and ReverseLoD) based on accurate 3D photogrammetric and laser scanning surveys. Complex 3D elements are converted into parametric BIM software and finite element applications (BIM to FEA) using specific exchange formats and new modelling tools. The proposed approach has been applied to different case studies: the BIM of modern structure for the courtyard of West Block on Parliament Hill in Ottawa (Ontario) and the BIM of Masegra Castel in Sondrio (Italy), encouraging the dissemination and interaction of scientific results without losing information during the generative process.

A parametric ribcage geometry model accounting for variations among the adult population.

PubMed

Wang, Yulong; Cao, Libo; Bai, Zhonghao; Reed, Matthew P; Rupp, Jonathan D; Hoff, Carrie N; Hu, Jingwen

2016-09-06

The objective of this study is to develop a parametric ribcage model that can account for morphological variations among the adult population. Ribcage geometries, including 12 pair of ribs, sternum, and thoracic spine, were collected from CT scans of 101 adult subjects through image segmentation, landmark identification (1016 for each subject), symmetry adjustment, and template mesh mapping (26,180 elements for each subject). Generalized procrustes analysis (GPA), principal component analysis (PCA), and regression analysis were used to develop a parametric ribcage model, which can predict nodal locations of the template mesh according to age, sex, height, and body mass index (BMI). Two regression models, a quadratic model for estimating the ribcage size and a linear model for estimating the ribcage shape, were developed. The results showed that the ribcage size was dominated by the height (p=0.000) and age-sex-interaction (p=0.007) and the ribcage shape was significantly affected by the age (p=0.0005), sex (p=0.0002), height (p=0.0064) and BMI (p=0.0000). Along with proper assignment of cortical bone thickness, material properties and failure properties, this parametric ribcage model can directly serve as the mesh of finite element ribcage models for quantifying effects of human characteristics on thoracic injury risks. Copyright © 2016 Elsevier Ltd. All rights reserved.

Estimation of viscoelastic parameters in Prony series from shear wave propagation

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

Jung, Jae-Wook; Hong, Jung-Wuk, E-mail: j.hong@kaist.ac.kr, E-mail: jwhong@alum.mit.edu; Lee, Hyoung-Ki

2016-06-21

When acquiring accurate ultrasonic images, we must precisely estimate the mechanical properties of the soft tissue. This study investigates and estimates the viscoelastic properties of the tissue by analyzing shear waves generated through an acoustic radiation force. The shear waves are sourced from a localized pushing force acting for a certain duration, and the generated waves travel horizontally. The wave velocities depend on the mechanical properties of the tissue such as the shear modulus and viscoelastic properties; therefore, we can inversely calculate the properties of the tissue through parametric studies.

Nonparametric autocovariance estimation from censored time series by Gaussian imputation.

PubMed

Park, Jung Wook; Genton, Marc G; Ghosh, Sujit K

2009-02-01

One of the most frequently used methods to model the autocovariance function of a second-order stationary time series is to use the parametric framework of autoregressive and moving average models developed by Box and Jenkins. However, such parametric models, though very flexible, may not always be adequate to model autocovariance functions with sharp changes. Furthermore, if the data do not follow the parametric model and are censored at a certain value, the estimation results may not be reliable. We develop a Gaussian imputation method to estimate an autocovariance structure via nonparametric estimation of the autocovariance function in order to address both censoring and incorrect model specification. We demonstrate the effectiveness of the technique in terms of bias and efficiency with simulations under various rates of censoring and underlying models. We describe its application to a time series of silicon concentrations in the Arctic.

Joint analysis of input and parametric uncertainties in watershed water quality modeling: A formal Bayesian approach

NASA Astrophysics Data System (ADS)

Han, Feng; Zheng, Yi

2018-06-01

Significant Input uncertainty is a major source of error in watershed water quality (WWQ) modeling. It remains challenging to address the input uncertainty in a rigorous Bayesian framework. This study develops the Bayesian Analysis of Input and Parametric Uncertainties (BAIPU), an approach for the joint analysis of input and parametric uncertainties through a tight coupling of Markov Chain Monte Carlo (MCMC) analysis and Bayesian Model Averaging (BMA). The formal likelihood function for this approach is derived considering a lag-1 autocorrelated, heteroscedastic, and Skew Exponential Power (SEP) distributed error model. A series of numerical experiments were performed based on a synthetic nitrate pollution case and on a real study case in the Newport Bay Watershed, California. The Soil and Water Assessment Tool (SWAT) and Differential Evolution Adaptive Metropolis (DREAM(ZS)) were used as the representative WWQ model and MCMC algorithm, respectively. The major findings include the following: (1) the BAIPU can be implemented and used to appropriately identify the uncertain parameters and characterize the predictive uncertainty; (2) the compensation effect between the input and parametric uncertainties can seriously mislead the modeling based management decisions, if the input uncertainty is not explicitly accounted for; (3) the BAIPU accounts for the interaction between the input and parametric uncertainties and therefore provides more accurate calibration and uncertainty results than a sequential analysis of the uncertainties; and (4) the BAIPU quantifies the credibility of different input assumptions on a statistical basis and can be implemented as an effective inverse modeling approach to the joint inference of parameters and inputs.

Comparison of Survival Models for Analyzing Prognostic Factors in Gastric Cancer Patients

PubMed

Habibi, Danial; Rafiei, Mohammad; Chehrei, Ali; Shayan, Zahra; Tafaqodi, Soheil

2018-03-27

Objective: There are a number of models for determining risk factors for survival of patients with gastric cancer. This study was conducted to select the model showing the best fit with available data. Methods: Cox regression and parametric models (Exponential, Weibull, Gompertz, Log normal, Log logistic and Generalized Gamma) were utilized in unadjusted and adjusted forms to detect factors influencing mortality of patients. Comparisons were made with Akaike Information Criterion (AIC) by using STATA 13 and R 3.1.3 softwares. Results: The results of this study indicated that all parametric models outperform the Cox regression model. The Log normal, Log logistic and Generalized Gamma provided the best performance in terms of AIC values (179.2, 179.4 and 181.1, respectively). On unadjusted analysis, the results of the Cox regression and parametric models indicated stage, grade, largest diameter of metastatic nest, largest diameter of LM, number of involved lymph nodes and the largest ratio of metastatic nests to lymph nodes, to be variables influencing the survival of patients with gastric cancer. On adjusted analysis, according to the best model (log normal), grade was found as the significant variable. Conclusion: The results suggested that all parametric models outperform the Cox model. The log normal model provides the best fit and is a good substitute for Cox regression. Creative Commons Attribution License

Efficient model reduction of parametrized systems by matrix discrete empirical interpolation

NASA Astrophysics Data System (ADS)

Negri, Federico; Manzoni, Andrea; Amsallem, David

2015-12-01

In this work, we apply a Matrix version of the so-called Discrete Empirical Interpolation (MDEIM) for the efficient reduction of nonaffine parametrized systems arising from the discretization of linear partial differential equations. Dealing with affinely parametrized operators is crucial in order to enhance the online solution of reduced-order models (ROMs). However, in many cases such an affine decomposition is not readily available, and must be recovered through (often) intrusive procedures, such as the empirical interpolation method (EIM) and its discrete variant DEIM. In this paper we show that MDEIM represents a very efficient approach to deal with complex physical and geometrical parametrizations in a non-intrusive, efficient and purely algebraic way. We propose different strategies to combine MDEIM with a state approximation resulting either from a reduced basis greedy approach or Proper Orthogonal Decomposition. A posteriori error estimates accounting for the MDEIM error are also developed in the case of parametrized elliptic and parabolic equations. Finally, the capability of MDEIM to generate accurate and efficient ROMs is demonstrated on the solution of two computationally-intensive classes of problems occurring in engineering contexts, namely PDE-constrained shape optimization and parametrized coupled problems.

Assessment by regional modelling of the impact of monopile foundations on the hydrodynamics and sediment transport: case of Courseulles-sur-Mer (France) wind farm

NASA Astrophysics Data System (ADS)

Rivier, Aurélie; Bennis, Anne-Claire; Pinon, Grégory; Magar, Vanesa; Gross, Markus

2015-04-01

Offshore monopile foundations of wind turbines modify hydrodynamics and sediment transport at local scale and also at regional scale. The aim of this work is to assess these changes and to parametrize them in a regional model. These modifications were previously evaluated using the regional circulation model MARS3D (Lazure and Dumas, 2008) in tests-cases (Rivier et al., 2014) using two approaches: in the first approach, monopiles are explicitly modelled in the mesh as dry cells and in the second approach a sub-grid parametrization which considers the drag force exerted by a monopile on the flow is used. The sub-grid parametrization is improved close to the bed in this paper by adding a drag force term in the momentum equations, source terms in the turbulence model and by increasing the bed shear stress at monopile location. Changes in hydrodynamics regime, especially near-bed, affect sediment transport regime and modifications due to monopiles on sediment dynamics is also investigated using the MARS3D sediment transport module (Le Hir et al., 2011) which solves the advection-diffusion equations. Test-cases are run using hydrodynamical conditions and sediment grain sizes typical from the area located off Courseulles-sur-Mer (Normandy, France) where an offshore wind farm is planned to be built. Velocity, turbulent kinetic energy and bed thickness changes due to the monopile simulated by both approaches are compared to each other and to experimental measurements made in a flume at the University of Caen or to published data (e.g. Roulund et al., 2005; Dargahi,1989). Then the model is applied in a real configuration on an area including the future offshore wind farm of Courseulles-sur-Mer. Four monopiles are represented in the model using both approaches and modifications of the hydrodynamics and sediment transport are assessed along a tidal cycle. Currents increase at the side edge of the monopile and decrease in front of and downstream the monopile. Turbulent kinetic energy strongly increase as expected upstream the monopile. Resuspension and erosion occurs around the monopile in locations where current speeds increase due to the monopile presence and sediments deposit downstream where the bed shear stress is lower. The pattern of bed erosion is modified depending of current velocity. References Dargahi, B. 1989. The turbulent flow field around a circular cylinder. Experiments in Fluids, 8(1-2), 1-12. Lazure, P. and Dumas, F. (2008). external-internal mode coupling for a 3D hydrodynamical model for applications at regional scale (MARS). Advances in Water Resources 31(2), 233-250. Le Hir, P., Cayocca, F. and Waeles, B. (2011). Dynamics of sand and mud mixtures: a multiprocess-based modelling strategy. Continental Shelf Research 31(10), 135-149. Rivier, A., Bennis, A.-C., Pinon, G., Gross, M. and Magar, V. (2014). Regional numerical modelling of offshore monopile wind turbine impacts on hydrodynamics and sediment transport. Proceeding of the 1st International Conference on Renewable Energies Offshore, November 2014, Lisbonne, Portugal. Roulund, A., Sumer, B. M., Fredsøe, J., & Michelsen, J. 2005. Numerical and experimental investigation of flow and scour around a circular pile. Journal of Fluid Mechanics, 534, 351-401.

Improved hydrological model parametrization for climate change impact assessment under data scarcity - The potential of field monitoring techniques and geostatistics.

PubMed

Meyer, Swen; Blaschek, Michael; Duttmann, Rainer; Ludwig, Ralf

2016-02-01

According to current climate projections, Mediterranean countries are at high risk for an even pronounced susceptibility to changes in the hydrological budget and extremes. These changes are expected to have severe direct impacts on the management of water resources, agricultural productivity and drinking water supply. Current projections of future hydrological change, based on regional climate model results and subsequent hydrological modeling schemes, are very uncertain and poorly validated. The Rio Mannu di San Sperate Basin, located in Sardinia, Italy, is one test site of the CLIMB project. The Water Simulation Model (WaSiM) was set up to model current and future hydrological conditions. The availability of measured meteorological and hydrological data is poor as it is common for many Mediterranean catchments. In this study we conducted a soil sampling campaign in the Rio Mannu catchment. We tested different deterministic and hybrid geostatistical interpolation methods on soil textures and tested the performance of the applied models. We calculated a new soil texture map based on the best prediction method. The soil model in WaSiM was set up with the improved new soil information. The simulation results were compared to standard soil parametrization. WaSiMs was validated with spatial evapotranspiration rates using the triangle method (Jiang and Islam, 1999). WaSiM was driven with the meteorological forcing taken from 4 different ENSEMBLES climate projections for a reference (1971-2000) and a future (2041-2070) times series. The climate change impact was assessed based on differences between reference and future time series. The simulated results show a reduction of all hydrological quantities in the future in the spring season. Furthermore simulation results reveal an earlier onset of dry conditions in the catchment. We show that a solid soil model setup based on short-term field measurements can improve long-term modeling results, which is especially important in ungauged catchments. Copyright © 2015 Elsevier B.V. All rights reserved.

Parametric study of extended end-plate connection using finite element modeling

NASA Astrophysics Data System (ADS)

Mureşan, Ioana Cristina; Bâlc, Roxana

2017-07-01

End-plate connections with preloaded high strength bolts represent a convenient, fast and accurate solution for beam-to-column joints. The behavior of framework joints build up with this type of connection are sensitive dependent on geometrical and material characteristics of the elements connected. This paper presents results of parametric analyses on the behavior of a bolted extended end-plate connection using finite element modeling program Abaqus. This connection was experimentally tested in the Laboratory of Faculty of Civil Engineering from Cluj-Napoca and the results are briefly reviewed in this paper. The numerical model of the studied connection was described in detail in [1] and provides data for this parametric study.

Non-parametric correlative uncertainty quantification and sensitivity analysis: Application to a Langmuir bimolecular adsorption model

NASA Astrophysics Data System (ADS)

Feng, Jinchao; Lansford, Joshua; Mironenko, Alexander; Pourkargar, Davood Babaei; Vlachos, Dionisios G.; Katsoulakis, Markos A.

2018-03-01

We propose non-parametric methods for both local and global sensitivity analysis of chemical reaction models with correlated parameter dependencies. The developed mathematical and statistical tools are applied to a benchmark Langmuir competitive adsorption model on a close packed platinum surface, whose parameters, estimated from quantum-scale computations, are correlated and are limited in size (small data). The proposed mathematical methodology employs gradient-based methods to compute sensitivity indices. We observe that ranking influential parameters depends critically on whether or not correlations between parameters are taken into account. The impact of uncertainty in the correlation and the necessity of the proposed non-parametric perspective are demonstrated.

Bayesian non-parametric inference for stochastic epidemic models using Gaussian Processes.

PubMed

Xu, Xiaoguang; Kypraios, Theodore; O'Neill, Philip D

2016-10-01

This paper considers novel Bayesian non-parametric methods for stochastic epidemic models. Many standard modeling and data analysis methods use underlying assumptions (e.g. concerning the rate at which new cases of disease will occur) which are rarely challenged or tested in practice. To relax these assumptions, we develop a Bayesian non-parametric approach using Gaussian Processes, specifically to estimate the infection process. The methods are illustrated with both simulated and real data sets, the former illustrating that the methods can recover the true infection process quite well in practice, and the latter illustrating that the methods can be successfully applied in different settings. © The Author 2016. Published by Oxford University Press.

Wind-Tunnel Evaluation of the Effect of Blade Nonstructural Mass Distribution on Helicopter Fixed-System Loads

NASA Technical Reports Server (NTRS)

Wilbur, Matthew L.; Yeager, William T., Jr.; Singleton, Jeffrey D.; Mirick, Paul H.; Wilkie, W. Keats

1998-01-01

This report provides data obtained during a wind-tunnel test conducted to investigate parametrically the effect of blade nonstructural mass on helicopter fixed-system vibratory loads. The data were obtained with aeroelastically scaled model rotor blades that allowed for the addition of concentrated nonstructural masses at multiple locations along the blade radius. Testing was conducted for advance ratios ranging from 0.10 to 0.35 for 10 blade-mass configurations. Three thrust levels were obtained at representative full-scale shaft angles for each blade-mass configuration. This report provides the fixed-system forces and moments measured during testing. The comprehensive database obtained is well-suited for use in correlation and development of advanced rotorcraft analyses.

Reparametrization of Protein Force Field Nonbonded Interactions Guided by Osmotic Coefficient Measurements from Molecular Dynamics Simulations.

PubMed

Miller, Mark S; Lay, Wesley K; Li, Shuxiang; Hacker, William C; An, Jiadi; Ren, Jianlan; Elcock, Adrian H

2017-04-11

There is a small, but growing, body of literature describing the use of osmotic coefficient measurements to validate and reparametrize simulation force fields. Here we have investigated the ability of five very commonly used force field and water model combinations to reproduce the osmotic coefficients of seven neutral amino acids and five small molecules. The force fields tested include AMBER ff99SB-ILDN, CHARMM36, GROMOS54a7, and OPLS-AA, with the first of these tested in conjunction with the TIP3P and TIP4P-Ew water models. In general, for both the amino acids and the small molecules, the tested force fields produce computed osmotic coefficients that are lower than experiment; this is indicative of excessively favorable solute-solute interactions. The sole exception to this general trend is provided by GROMOS54a7 when applied to amino acids: in this case, the computed osmotic coefficients are consistently too high. Importantly, we show that all of the force fields tested can be made to accurately reproduce the experimental osmotic coefficients of the amino acids when minor modifications-some previously reported by others and some that are new to this study-are made to the van der Waals interactions of the charged terminal groups. Special care is required, however, when simulating Proline with a number of the force fields, and a hydroxyl-group specific modification is required in order to correct Serine and Threonine when simulated with AMBER ff99SB-ILDN. Interestingly, an alternative parametrization of the van der Waals interactions in the latter force field, proposed by the Nerenberg and Head-Gordon groups, is shown to immediately produce osmotic coefficients that are in excellent agreement with experiment. Overall, this study reinforces the idea that osmotic coefficient measurements can be used to identify general shortcomings in commonly used force fields' descriptions of solute-solute interactions and further demonstrates that modifications to van der Waals parameters provide a simple route to optimizing agreement with experiment.

Verification of High Resolution Soil Moisture and Latent Heat in Germany

NASA Astrophysics Data System (ADS)

Samaniego, L. E.; Warrach-Sagi, K.; Zink, M.; Wulfmeyer, V.

2012-12-01

Improving our understanding of soil-land-surface-atmosphere feedbacks is fundamental to make reliable predictions of water and energy fluxes on land systems influenced by anthropogenic activities. Estimating, for instance, which would be the likely consequences of changing climatic regimes on water availability and crop yield, requires of high resolution soil moisture. Modeling it at large-scales, however, is difficult and uncertain because of the interplay between state variables and fluxes and the significant parameter uncertainty of the predicting models. At larger scales, the sub-grid variability of the variables involved and the nonlinearity of the processes complicate the modeling exercise even further because parametrization schemes might be scale dependent. Two contrasting modeling paradigms (WRF/Noah-MP and mHM) were employed to quantify the effects of model and data complexity on soil moisture and latent heat over Germany. WRF/Noah-MP was forced ERA-interim on the boundaries of the rotated CORDEX-Grid (www.meteo.unican.es/wiki/cordexwrf) with a spatial resolution of 0.11o covering Europe during the period from 1989 to 2009. Land cover and soil texture were represented in WRF/Noah-MP with 1×1~km MODIS images and a single horizon, coarse resolution European-wide soil map with 16 soil texture classes, respectively. To ease comparison, the process-based hydrological model mHM was forced with daily precipitation and temperature fields generated by WRF during the same period. The spatial resolution of mHM was fixed at 4×4~km. The multiscale parameter regionalization technique (MPR, Samaniego et al. 2010) was embedded in mHM to be able to estimate effective model parameters using hyper-resolution input data (100×100~km) obtained from Corine land cover and detailed soil texture fields for various horizons comprising 72 soil texture classes for Germany, among other physiographical variables. mHM global parameters, in contrast with those of Noah-MP, were obtained by closing the water balance over major river basins in Germany. Simulated soil moisture and latent heat flux were also evaluated at several eddy covariance sites in Germany. Comparison of monthly soil moisture and latent heat fields obtained with both models over Germany exhibited significant differences, which are mainly attributed to the subgrid variability of key model parameters such as porosity and aerodynamic resistance. Comparison of soil moisture fields obtained with WRF/Noah-MP and mHM forced with grided metereological observations (German Meteorological Service) showed that the differences between both models are mainly due to a combination of precipitation bias and different soil texture resolution. However, EOF analyses indicate that CORDEX results start recovering structures due to soil and vegetation properties. This experiment clearly highlighted the importance of hyper resolution input data to address these challenge. High resolution mHM simulations also indicate that the parametric uncertainty of land surface models is significant, and should not be neglected if a model is to be employed for application at regional scales, e.g. for drought monitoring.

Integrating biomass, sulphate and sea-salt aerosol responses into a microphysical chemical parcel model: implications for climate studies.

PubMed

Ghosh, S; Smith, M H; Rap, A

2007-11-15

Aerosols are known to influence significantly the radiative budget of the Earth. Although the direct effect (whereby aerosols scatter and absorb solar and thermal infrared radiation) has a large perturbing influence on the radiation budget, the indirect effect (whereby aerosols modify the microphysical and hence the radiative properties and amounts of clouds) poses a greater challenge to climate modellers. This is because aerosols undergo chemical and physical changes while in the atmosphere, notably within clouds, and are removed largely by precipitation. The way in which aerosols are processed by clouds depends on the type, abundance and the mixing state of the aerosols concerned. A parametrization with sulphate and sea-salt aerosol has been successfully integrated within the Hadley Centre general circulation model (GCM). The results of this combined parametrization indicate a significantly reduced role, compared with previous estimates, for sulphate aerosol in cloud droplet nucleation and, consequently, in indirect radiative forcing. However, in this bicomponent system, the cloud droplet number concentration, N(d) (a crucial parameter that is used in GCMs for radiative transfer calculations), is a smoothly varying function of the sulphate aerosol loading. Apart from sea-salt and sulphate aerosol particles, biomass aerosol particles are also present widely in the troposphere. We find that biomass smoke can significantly perturb the activation and growth of both sulphate and sea-salt particles. For a fixed salt loading, N(d) increases linearly with modest increases in sulphate and smoke masses, but significant nonlinearities are observed at higher non-sea-salt mass loadings. This non-intuitive N(d) variation poses a fresh challenge to climate modellers.

Parametric Study of a YAV-8B Harrier in Ground Effect Using Time-Dependent Navier-Stokes Computations

NASA Technical Reports Server (NTRS)

Shishir, Pandya; Chaderjian, Neal; Ahmad, Jsaim; Kwak, Dochan (Technical Monitor)

2001-01-01

Flow simulations using the time-dependent Navier-Stokes equations remain a challenge for several reasons. Principal among them are the difficulty to accurately model complex flows, and the time needed to perform the computations. A parametric study of such complex problems is not considered practical due to the large cost associated with computing many time-dependent solutions. The computation time for each solution must be reduced in order to make a parametric study possible. With successful reduction of computation time, the issue of accuracy, and appropriateness of turbulence models will become more tractable.

A generalized Jaynes-Cummings model: The relativistic parametric amplifier and a single trapped ion

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

Ojeda-Guillén, D., E-mail: dojedag@ipn.mx; Mota, R. D.; Granados, V. D.

2016-06-15

We introduce a generalization of the Jaynes-Cummings model and study some of its properties. We obtain the energy spectrum and eigenfunctions of this model by using the tilting transformation and the squeezed number states of the one-dimensional harmonic oscillator. As physical applications, we connect this new model to two important and novelty problems: the relativistic parametric amplifier and the quantum simulation of a single trapped ion.

Parametrization of Drag and Turbulence for Urban Neighbourhoods with Trees

NASA Astrophysics Data System (ADS)

Krayenhoff, E. S.; Santiago, J.-L.; Martilli, A.; Christen, A.; Oke, T. R.

2015-08-01

Urban canopy parametrizations designed to be coupled with mesoscale models must predict the integrated effect of urban obstacles on the flow at each height in the canopy. To assess these neighbourhood-scale effects, results of microscale simulations may be horizontally-averaged. Obstacle-resolving computational fluid dynamics (CFD) simulations of neutrally-stratified flow through canopies of blocks (buildings) with varying distributions and densities of porous media (tree foliage) are conducted, and the spatially-averaged impacts on the flow of these building-tree combinations are assessed. The accuracy with which a one-dimensional (column) model with a one-equation (-) turbulence scheme represents spatially-averaged CFD results is evaluated. Individual physical mechanisms by which trees and buildings affect flow in the column model are evaluated in terms of relative importance. For the treed urban configurations considered, effects of buildings and trees may be considered independently. Building drag coefficients and length scale effects need not be altered due to the presence of tree foliage; therefore, parametrization of spatially-averaged flow through urban neighbourhoods with trees is greatly simplified. The new parametrization includes only source and sink terms significant for the prediction of spatially-averaged flow profiles: momentum drag due to buildings and trees (and the associated wake production of turbulent kinetic energy), modification of length scales by buildings, and enhanced dissipation of turbulent kinetic energy due to the small scale of tree foliage elements. Coefficients for the Santiago and Martilli (Boundary-Layer Meteorol 137: 417-439, 2010) parametrization of building drag coefficients and length scales are revised. Inclusion of foliage terms from the new parametrization in addition to the Santiago and Martilli building terms reduces root-mean-square difference (RMSD) of the column model streamwise velocity component and turbulent kinetic energy relative to the CFD model by 89 % in the canopy and 71 % above the canopy on average for the highest leaf area density scenarios tested: . RMSD values with the new parametrization are less than 20 % of mean layer magnitude for the streamwise velocity component within and above the canopy, and for above-canopy turbulent kinetic energy; RMSD values for within-canopy turbulent kinetic energy are negligible for most scenarios. The foliage-related portion of the new parametrization is required for scenarios with tree foliage of equal or greater height than the buildings, and for scenarios with foliage below roof height for building plan area densities less than approximately 0.25.

Bim and Gis: when Parametric Modeling Meets Geospatial Data

NASA Astrophysics Data System (ADS)

Barazzetti, L.; Banfi, F.

2017-12-01

Geospatial data have a crucial role in several projects related to infrastructures and land management. GIS software are able to perform advanced geospatial analyses, but they lack several instruments and tools for parametric modelling typically available in BIM. At the same time, BIM software designed for buildings have limited tools to handle geospatial data. As things stand at the moment, BIM and GIS could appear as complementary solutions, notwithstanding research work is currently under development to ensure a better level of interoperability, especially at the scale of the building. On the other hand, the transition from the local (building) scale to the infrastructure (where geospatial data cannot be neglected) has already demonstrated that parametric modelling integrated with geoinformation is a powerful tool to simplify and speed up some phases of the design workflow. This paper reviews such mixed approaches with both simulated and real examples, demonstrating that integration is already a reality at specific scales, which are not dominated by "pure" GIS or BIM. The paper will also demonstrate that some traditional operations carried out with GIS software are also available in parametric modelling software for BIM, such as transformation between reference systems, DEM generation, feature extraction, and geospatial queries. A real case study is illustrated and discussed to show the advantage of a combined use of both technologies. BIM and GIS integration can generate greater usage of geospatial data in the AECOO (Architecture, Engineering, Construction, Owner and Operator) industry, as well as new solutions for parametric modelling with additional geoinformation.

Explicit polarization: a quantum mechanical framework for developing next generation force fields.

PubMed

Gao, Jiali; Truhlar, Donald G; Wang, Yingjie; Mazack, Michael J M; Löffler, Patrick; Provorse, Makenzie R; Rehak, Pavel

2014-09-16

Conspectus Molecular mechanical force fields have been successfully used to model condensed-phase and biological systems for a half century. By means of careful parametrization, such classical force fields can be used to provide useful interpretations of experimental findings and predictions of certain properties. Yet, there is a need to further improve computational accuracy for the quantitative prediction of biomolecular interactions and to model properties that depend on the wave functions and not just the energy terms. A new strategy called explicit polarization (X-Pol) has been developed to construct the potential energy surface and wave functions for macromolecular and liquid-phase simulations on the basis of quantum mechanics rather than only using quantum mechanical results to fit analytic force fields. In this spirit, this approach is called a quantum mechanical force field (QMFF). X-Pol is a general fragment method for electronic structure calculations based on the partition of a condensed-phase or macromolecular system into subsystems ("fragments") to achieve computational efficiency. Here, intrafragment energy and the mutual electronic polarization of interfragment interactions are treated explicitly using quantum mechanics. X-Pol can be used as a general, multilevel electronic structure model for macromolecular systems, and it can also serve as a new-generation force field. As a quantum chemical model, a variational many-body (VMB) expansion approach is used to systematically improve interfragment interactions, including exchange repulsion, charge delocalization, dispersion, and other correlation energies. As a quantum mechanical force field, these energy terms are approximated by empirical functions in the spirit of conventional molecular mechanics. This Account first reviews the formulation of X-Pol, in the full variationally correct version, in the faster embedded version, and with systematic many-body improvements. We discuss illustrative examples involving water clusters (which show the power of two-body corrections), ethylmethylimidazolium acetate ionic liquids (which reveal that the amount of charge transfer between anion and cation is much smaller than what has been assumed in some classical simulations), and a solvated protein in aqueous solution (which shows that the average charge distribution of carbonyl groups along the polypeptide chain depends strongly on their position in the sequence, whereas they are fixed in most classical force fields). The development of QMFFs also offers an opportunity to extend the accuracy of biochemical simulations to areas where classical force fields are often insufficient, especially in the areas of spectroscopy, reactivity, and enzyme catalysis.

Changing space and sound: Parametric design and variable acoustics

NASA Astrophysics Data System (ADS)

Norton, Christopher William

This thesis examines the potential for parametric design software to create performance based design using acoustic metrics as the design criteria. A former soundstage at the University of Southern California used by the Thornton School of Music is used as a case study for a multiuse space for orchestral, percussion, master class and recital use. The criteria used for each programmatic use include reverberation time, bass ratio, and the early energy ratios of the clarity index and objective support. Using a panelized ceiling as a design element to vary the parameters of volume, panel orientation and type of absorptive material, the relationships between these parameters and the design criteria are explored. These relationships and subsequently derived equations are applied to Grasshopper parametric modeling software for Rhino 3D (a NURBS modeling software). Using the target reverberation time and bass ratio for each programmatic use as input for the parametric model, the genomic optimization function of Grasshopper - Galapagos - is run to identify the optimum ceiling geometry and material distribution.

Definition of NASTRAN sets by use of parametric geometry

NASA Technical Reports Server (NTRS)

Baughn, Terry V.; Tiv, Mehran

1989-01-01

Many finite element preprocessors describe finite element model geometry with points, lines, surfaces and volumes. One method for describing these basic geometric entities is by use of parametric cubics which are useful for representing complex shapes. The lines, surfaces and volumes may be discretized for follow on finite element analysis. The ability to limit or selectively recover results from the finite element model is extremely important to the analyst. Equally important is the ability to easily apply boundary conditions. Although graphical preprocessors have made these tasks easier, model complexity may not lend itself to easily identify a group of grid points desired for data recovery or application of constraints. A methodology is presented which makes use of the assignment of grid point locations in parametric coordinates. The parametric coordinates provide a convenient ordering of the grid point locations and a method for retrieving the grid point ID's from the parent geometry. The selected grid points may then be used for the generation of the appropriate set and constraint cards.

Forced Boundary-Layer Transition on X-43 (Hyper-X) in NASA LaRC 20-Inch Mach 6 Air Tunnel

NASA Technical Reports Server (NTRS)

Berry, Scott A.; DiFulvio, Michael; Kowalkowski, Matthew K.

2000-01-01

Aeroheating and boundary layer transition characteristics for the X-43 (Hyper-X) configuration have been experimentally examined in the Langley 20-Inch Mach 6 Air Tunnel. Global surface heat transfer distributions, and surface streamline patterns were measured on a 0.333-scale model of the Hyper-X forebody. Parametric variations include angles-of-attack of 0-deg, 2-deg, and 4-deg; Reynolds numbers based on model length of 1.2 to 15.4 million; and inlet cowl door both open and closed. The effects of discrete roughness elements on the forebody boundary layer, which included variations in trip configuration and height, were investigated. This document is intended to serve as a release of preliminary data to the Hyper-X program; analysis is limited to observations of the experimental trends in order to expedite dissemination.

Forced Boundary-Layer Transition on X-43 (Hyper-X) in NASA LaRC 31-Inch Mach 10 Air Tunnel

NASA Technical Reports Server (NTRS)

Berry, Scott A.; DiFulvio, Michael; Kowalkowski, Matthew K.

2000-01-01

Aeroheating and boundary layer transition characteristics for the X-43 (Hyper-X) configuration have been experimentally examined in the Langley 31-Inch Mach 10 Air Tunnel. Global surface heat transfer distributions, and surface streamline patterns were measured on a 0.333-scale model of the Hyper-X forebody. Parametric variations include angles-of-attack of 0-deg, 2-deg, 3-deg, and 4-deg; Reynolds numbers based on model length of 1.2 to 5.1 million; and inlet cowl door both open and closed. The effects of discrete roughness elements on the forebody boundary layer, which included variations in trip configuration and height, were investigated. This document is intended to serve as a release of preliminary data to the Hyper-X program; analysis is limited to observations of the experimental trends in order to expedite dissemination.

On the efficiency of the golf swing

NASA Astrophysics Data System (ADS)

White, Rod

2006-12-01

A non-driven double pendulum model is used to explain the principle underlying the surprising efficiency of the golf swing. The principle can be described as a parametric energy transfer between the arms and the club head due to the changing moment of inertia of the club. The transfer is a consequence of conservation of energy and angular momentum. Because the pendulum is not driven by an external force, it shows that the golfer need do little more than accelerate the arms with the wrists cocked and let the double pendulum transfer kinetic energy to the club head. A driven double pendulum model is used to study factors affecting the efficiency of a real golf swing. It is concluded that the wrist-cock angle is the most significant efficiency-determining parameter under the golfer's control and that improvements in golf technology have had a significant impact on driving distance.

Estimating the Life Cycle Cost of Space Systems

NASA Technical Reports Server (NTRS)

Jones, Harry W.

2015-01-01

A space system's Life Cycle Cost (LCC) includes design and development, launch and emplacement, and operations and maintenance. Each of these cost factors is usually estimated separately. NASA uses three different parametric models for the design and development cost of crewed space systems; the commercial PRICE-H space hardware cost model, the NASA-Air Force Cost Model (NAFCOM), and the Advanced Missions Cost Model (AMCM). System mass is an important parameter in all three models. System mass also determines the launch and emplacement cost, which directly depends on the cost per kilogram to launch mass to Low Earth Orbit (LEO). The launch and emplacement cost is the cost to launch to LEO the system itself and also the rockets, propellant, and lander needed to emplace it. The ratio of the total launch mass to payload mass depends on the mission scenario and destination. The operations and maintenance costs include any material and spares provided, the ground control crew, and sustaining engineering. The Mission Operations Cost Model (MOCM) estimates these costs as a percentage of the system development cost per year.

Lubrication Theory Model to Evaluate Surgical Alterations in Flow Mechanics of the Lower Esophageal Sphincter

NASA Astrophysics Data System (ADS)

Ghosh, Sudip K.; Brasseur, James G.; Zaki, Tamer; Kahrilas, Peter J.

2003-11-01

Surgery is commonly used to rebuild a weak lower esophageal sphincter (LES) and reduce reflux. Because the driving pressure (DP) is proportional to muscle tension generated in the esophagus, we developed models using lubrication theory to evaluate the consequences of surgery on muscle force required to open the LES and drive the flow. The models relate time changes in DP to lumen geometry and trans-LES flow with a manometric catheter. Inertial effects were included and found negligible. Two models, direct (opening specified) and indirect (opening predicted), were combined with manometric pressure and imaging data from normal and post-surgery LES. A very high sensitivity was predicted between the details of the DP and LES opening. The indirect model accurately captured LES opening and predicted a 3-phase emptying process, with phases I and III requiring rapid generation of muscle tone to open the LES and empty the esophagus. Data showed that phases I and III are adversely altered by surgery causing incomplete emptying. Parametric model studies indicated that changes to the surgical procedure can positively alter LES flow mechanics and improve clinical outcomes.

Effects of thermal blooming on systems comprised of tiled subapertures

NASA Astrophysics Data System (ADS)

Leakeas, Charles L.; Bartell, Richard J.; Krizo, Matthew J.; Fiorino, Steven T.; Cusumano, Salvatore J.; Whiteley, Matthew R.

2010-04-01

Laser weapon systems comprise of tiled subapertures are rapidly emerging in the directed energy community. The Air Force Institute of Technology Center for Directed Energy (AFIT/CDE), under sponsorship of the HEL Joint Technology Office has developed performance models of such laser weapon system configurations consisting of tiled arrays of both slab and fiber subapertures. These performance models are based on results of detailed waveoptics analyses conducted using WaveTrain. Previous performance model versions developed in this effort represent system characteristics such as subaperture shape, aperture fill factor, subaperture intensity profile, subaperture placement in the primary aperture, subaperture mutual coherence (piston), subaperture differential jitter (tilt), and beam quality wave-front error associated with each subaperture. The current work is a prerequisite for the development of robust performance models for turbulence and thermal blooming effects for tiled systems. Emphasis is placed on low altitude tactical scenarios. The enhanced performance model developed will be added to AFIT/CDE's HELEEOS parametric one-on-one engagement level model via the Scaling for High Energy Laser and Relay Engagement (SHaRE) toolbox.

An Efficient Non-iterative Bulk Parametrization of Surface Fluxes for Stable Atmospheric Conditions Over Polar Sea-Ice

NASA Astrophysics Data System (ADS)

Gryanik, Vladimir M.; Lüpkes, Christof

2018-02-01

In climate and weather prediction models the near-surface turbulent fluxes of heat and momentum and related transfer coefficients are usually parametrized on the basis of Monin-Obukhov similarity theory (MOST). To avoid iteration, required for the numerical solution of the MOST equations, many models apply parametrizations of the transfer coefficients based on an approach relating these coefficients to the bulk Richardson number Rib. However, the parametrizations that are presently used in most climate models are valid only for weaker stability and larger surface roughnesses than those documented during the Surface Heat Budget of the Arctic Ocean campaign (SHEBA). The latter delivered a well-accepted set of turbulence data in the stable surface layer over polar sea-ice. Using stability functions based on the SHEBA data, we solve the MOST equations applying a new semi-analytic approach that results in transfer coefficients as a function of Rib and roughness lengths for momentum and heat. It is shown that the new coefficients reproduce the coefficients obtained by the numerical iterative method with a good accuracy in the most relevant range of stability and roughness lengths. For small Rib, the new bulk transfer coefficients are similar to the traditional coefficients, but for large Rib they are much smaller than currently used coefficients. Finally, a possible adjustment of the latter and the implementation of the new proposed parametrizations in models are discussed.

Prepositioning emergency supplies under uncertainty: a parametric optimization method

NASA Astrophysics Data System (ADS)

Bai, Xuejie; Gao, Jinwu; Liu, Yankui

2018-07-01

Prepositioning of emergency supplies is an effective method for increasing preparedness for disasters and has received much attention in recent years. In this article, the prepositioning problem is studied by a robust parametric optimization method. The transportation cost, supply, demand and capacity are unknown prior to the extraordinary event, which are represented as fuzzy parameters with variable possibility distributions. The variable possibility distributions are obtained through the credibility critical value reduction method for type-2 fuzzy variables. The prepositioning problem is formulated as a fuzzy value-at-risk model to achieve a minimum total cost incurred in the whole process. The key difficulty in solving the proposed optimization model is to evaluate the quantile of the fuzzy function in the objective and the credibility in the constraints. The objective function and constraints can be turned into their equivalent parametric forms through chance constrained programming under the different confidence levels. Taking advantage of the structural characteristics of the equivalent optimization model, a parameter-based domain decomposition method is developed to divide the original optimization problem into six mixed-integer parametric submodels, which can be solved by standard optimization solvers. Finally, to explore the viability of the developed model and the solution approach, some computational experiments are performed on realistic scale case problems. The computational results reported in the numerical example show the credibility and superiority of the proposed parametric optimization method.

Towards the generation of a parametric foot model using principal component analysis: A pilot study.

PubMed

Scarton, Alessandra; Sawacha, Zimi; Cobelli, Claudio; Li, Xinshan

2016-06-01

There have been many recent developments in patient-specific models with their potential to provide more information on the human pathophysiology and the increase in computational power. However they are not yet successfully applied in a clinical setting. One of the main challenges is the time required for mesh creation, which is difficult to automate. The development of parametric models by means of the Principle Component Analysis (PCA) represents an appealing solution. In this study PCA has been applied to the feet of a small cohort of diabetic and healthy subjects, in order to evaluate the possibility of developing parametric foot models, and to use them to identify variations and similarities between the two populations. Both the skin and the first metatarsal bones have been examined. Besides the reduced sample of subjects considered in the analysis, results demonstrated that the method adopted herein constitutes a first step towards the realization of a parametric foot models for biomechanical analysis. Furthermore the study showed that the methodology can successfully describe features in the foot, and evaluate differences in the shape of healthy and diabetic subjects. Copyright © 2016 IPEM. Published by Elsevier Ltd. All rights reserved.

ACCELERATING MR PARAMETER MAPPING USING SPARSITY-PROMOTING REGULARIZATION IN PARAMETRIC DIMENSION

PubMed Central

Velikina, Julia V.; Alexander, Andrew L.; Samsonov, Alexey

2013-01-01

MR parameter mapping requires sampling along additional (parametric) dimension, which often limits its clinical appeal due to a several-fold increase in scan times compared to conventional anatomic imaging. Data undersampling combined with parallel imaging is an attractive way to reduce scan time in such applications. However, inherent SNR penalties of parallel MRI due to noise amplification often limit its utility even at moderate acceleration factors, requiring regularization by prior knowledge. In this work, we propose a novel regularization strategy, which utilizes smoothness of signal evolution in the parametric dimension within compressed sensing framework (p-CS) to provide accurate and precise estimation of parametric maps from undersampled data. The performance of the method was demonstrated with variable flip angle T1 mapping and compared favorably to two representative reconstruction approaches, image space-based total variation regularization and an analytical model-based reconstruction. The proposed p-CS regularization was found to provide efficient suppression of noise amplification and preservation of parameter mapping accuracy without explicit utilization of analytical signal models. The developed method may facilitate acceleration of quantitative MRI techniques that are not suitable to model-based reconstruction because of complex signal models or when signal deviations from the expected analytical model exist. PMID:23213053

A physiology-based parametric imaging method for FDG-PET data

NASA Astrophysics Data System (ADS)

Scussolini, Mara; Garbarino, Sara; Sambuceti, Gianmario; Caviglia, Giacomo; Piana, Michele

2017-12-01

Parametric imaging is a compartmental approach that processes nuclear imaging data to estimate the spatial distribution of the kinetic parameters governing tracer flow. The present paper proposes a novel and efficient computational method for parametric imaging which is potentially applicable to several compartmental models of diverse complexity and which is effective in the determination of the parametric maps of all kinetic coefficients. We consider applications to [18 F]-fluorodeoxyglucose positron emission tomography (FDG-PET) data and analyze the two-compartment catenary model describing the standard FDG metabolization by an homogeneous tissue and the three-compartment non-catenary model representing the renal physiology. We show uniqueness theorems for both models. The proposed imaging method starts from the reconstructed FDG-PET images of tracer concentration and preliminarily applies image processing algorithms for noise reduction and image segmentation. The optimization procedure solves pixel-wise the non-linear inverse problem of determining the kinetic parameters from dynamic concentration data through a regularized Gauss-Newton iterative algorithm. The reliability of the method is validated against synthetic data, for the two-compartment system, and experimental real data of murine models, for the renal three-compartment system.

A parametric model order reduction technique for poroelastic finite element models.

PubMed

Lappano, Ettore; Polanz, Markus; Desmet, Wim; Mundo, Domenico

2017-10-01

This research presents a parametric model order reduction approach for vibro-acoustic problems in the frequency domain of systems containing poroelastic materials (PEM). The method is applied to the Finite Element (FE) discretization of the weak u-p integral formulation based on the Biot-Allard theory and makes use of reduced basis (RB) methods typically employed for parametric problems. The parametric reduction is obtained rewriting the Biot-Allard FE equations for poroelastic materials using an affine representation of the frequency (therefore allowing for RB methods) and projecting the frequency-dependent PEM system on a global reduced order basis generated with the proper orthogonal decomposition instead of standard modal approaches. This has proven to be better suited to describe the nonlinear frequency dependence and the strong coupling introduced by damping. The methodology presented is tested on two three-dimensional systems: in the first experiment, the surface impedance of a PEM layer sample is calculated and compared with results of the literature; in the second, the reduced order model of a multilayer system coupled to an air cavity is assessed and the results are compared to those of the reference FE model.

Behavior of auxetic structures under compression and impact forces

NASA Astrophysics Data System (ADS)

Yang, Chulho; Vora, Hitesh D.; Chang, Young

2018-02-01

In recent years, various auxetic material structures have been designed and fabricated for diverse applications that utilize normal materials that follow Hooke’s law but still show the properties of negative Poisson’s ratios (NPR). One potential application is body protection pads that are comfortable to wear and effective in protecting body parts by reducing impact force and preventing injuries in high-risk individuals such as elderly people, industrial workers, law enforcement and military personnel, and athletes. This paper reports an integrated theoretical, computational, and experimental investigation conducted for typical auxetic materials that exhibit NPR properties. Parametric 3D CAD models of auxetic structures such as re-entrant hexagonal cells and arrowheads were developed. Then, key structural characteristics of protection pads were evaluated through static analyses of FEA models. Finally, impact analyses were conducted through dynamic simulations of FEA models to validate the results obtained from the static analyses. Efforts were also made to relate the individual and/or combined effect of auxetic structures and materials to the overall stiffness and shock-absorption performance of the protection pads. An advanced additive manufacturing (3D printing) technique was used to build prototypes of the auxetic structures. Three different materials typically used for fused deposition modeling technology, namely polylactic acid (PLA) and thermoplastic polyurethane material (NinjaFlex® and SemiFlex®), were used for different stiffness and shock-absorption properties. The 3D printed prototypes were then tested and the results were compared to the computational predictions. The results showed that the auxetic material could be effective in reducing the shock forces. Each structure and material combination demonstrated unique structural properties such as stiffness, Poisson’s ratio, and efficiency in shock absorption. Auxetic structures showed better shock absorption performance than non-auxetic ones. The mechanism for ideal input force distribution or shunting could be suggested for designing protectors using various shapes, thicknesses, and materials of auxetic materials to reduce the risk of injury.

Dissipative particle dynamics: Systematic parametrization using water-octanol partition coefficients

NASA Astrophysics Data System (ADS)

Anderson, Richard L.; Bray, David J.; Ferrante, Andrea S.; Noro, Massimo G.; Stott, Ian P.; Warren, Patrick B.

2017-09-01

We present a systematic, top-down, thermodynamic parametrization scheme for dissipative particle dynamics (DPD) using water-octanol partition coefficients, supplemented by water-octanol phase equilibria and pure liquid phase density data. We demonstrate the feasibility of computing the required partition coefficients in DPD using brute-force simulation, within an adaptive semi-automatic staged optimization scheme. We test the methodology by fitting to experimental partition coefficient data for twenty one small molecules in five classes comprising alcohols and poly-alcohols, amines, ethers and simple aromatics, and alkanes (i.e., hexane). Finally, we illustrate the transferability of a subset of the determined parameters by calculating the critical micelle concentrations and mean aggregation numbers of selected alkyl ethoxylate surfactants, in good agreement with reported experimental values.

A parametric experimental investigation of a scramjet nozzle at Mach 6 with Freon and argon or air used for exhaust simulation

NASA Technical Reports Server (NTRS)

Cubbage, James M.; Monta, William J.

1991-01-01

A parametric experimental investigation of a scramjet nozzle was conducted with a gas mixture used to simulate the scramjet engine exhaust flow at a free-stream Reynolds number of approximately 6.5 x 10(exp 6) per foot. External nozzle surface angles of 16, 20, and 24 deg were tested with a fixed-length ramp and for cowl internal surface angles of 6 and 12 deg. Pressure data on the external nozzle surface were obtained for mixtures of Freon and argon gases with a ratio of specific heats of about 1.23, which matches that of a scramjet exhaust. Forces and moments were determined by integration of the pressure data. Two nozzle configurations were also tested with air used to simulate the exhaust flow. On the external nozzle surface, lift and thrust forces for air exhaust simulation were approximately half of those for Freon-argon exhaust simulation and the pitching moment was approximately a third. These differences were primarily due to the difference in the ratios of specific heats between the two exhaust simulation gases. A 20 deg external surface angle produced the greatest thrust for a 6 deg cowl internal surface angle. A flow fence significantly increased lift and thrust forces over those for the nozzle without a flow fence.

Robust outer synchronization between two nonlinear complex networks with parametric disturbances and mixed time-varying delays

NASA Astrophysics Data System (ADS)

Zhang, Chuan; Wang, Xingyuan; Luo, Chao; Li, Junqiu; Wang, Chunpeng

2018-03-01

In this paper, we focus on the robust outer synchronization problem between two nonlinear complex networks with parametric disturbances and mixed time-varying delays. Firstly, a general complex network model is proposed. Besides the nonlinear couplings, the network model in this paper can possess parametric disturbances, internal time-varying delay, discrete time-varying delay and distributed time-varying delay. Then, according to the robust control strategy, linear matrix inequality and Lyapunov stability theory, several outer synchronization protocols are strictly derived. Simple linear matrix controllers are designed to driver the response network synchronize to the drive network. Additionally, our results can be applied on the complex networks without parametric disturbances. Finally, by utilizing the delayed Lorenz chaotic system as the dynamics of all nodes, simulation examples are given to demonstrate the effectiveness of our theoretical results.