Accurate prediction of vaccine stability under real storage conditions and during temperature excursions.

PubMed

Clénet, Didier

2018-04-01

Due to their thermosensitivity, most vaccines must be kept refrigerated from production to use. To successfully carry out global immunization programs, ensuring the stability of vaccines is crucial. In this context, two important issues are critical, namely: (i) predicting vaccine stability and (ii) preventing product damage due to excessive temperature excursions outside of the recommended storage conditions (cold chain break). We applied a combination of advanced kinetics and statistical analyses on vaccine forced degradation data to accurately describe the loss of antigenicity for a multivalent freeze-dried inactivated virus vaccine containing three variants. The screening of large amounts of kinetic models combined with a statistical model selection approach resulted in the identification of two-step kinetic models. Predictions based on kinetic analysis and experimental stability data were in agreement, with approximately five percentage points difference from real values for long-term stability storage conditions, after excursions of temperature and during experimental shipments of freeze-dried products. Results showed that modeling a few months of forced degradation can be used to predict various time and temperature profiles endured by vaccines, i.e. long-term stability, short time excursions outside the labeled storage conditions or shipments at ambient temperature, with high accuracy. Pharmaceutical applications of the presented kinetics-based approach are discussed. Copyright © 2018 The Author. Published by Elsevier B.V. All rights reserved.

Lateral stability and control derivatives extracted from space shuttle Challenger flight data

NASA Technical Reports Server (NTRS)

Schiess, James R.

1988-01-01

Flight data taken from six flights of the Space Transportation System shuttle Challenger (STS-6, 7, 8, 11, 13 and 17) during atmospheric entry are analyzed to determine the shuttle lateral aerodynamic characteristics. Maximum likelihood estimation is applied to data derived from accelerometer and rate gyro measurements and trajectory, meteorological and control surface data to estimate lateral-directional stability and control derivatives. The vehicle stability and control surface effectiveness are compared across the flights and to preflight predicted values.

Predicting the chemical stability of monatomic chains

NASA Astrophysics Data System (ADS)

Lin, Zheng-Zhe; Chen, Xi

2013-02-01

A simple model for evaluating the thermal atomic transfer rates in nanosystems (Lin Z.-Z. et al., EPL, 94 (2011) 40002) was developed to predict the chemical reaction rates of nanosystems with small gas molecules. The accuracy of the model was verified by MD simulations for molecular adsorption and desorption on a monatomic chain. By the prediction, a monatomic carbon chain should survive for 1.2 × 102 years in the ambient of 1 atm O2 at room temperature, and it is very invulnerable to N2, H2O, NO2, CO and CO2, while a monatomic gold chain quickly ruptures in vacuum. It is worth noting that since the model can be easily applied via common ab initio calculations, it could be widely used in the prediction of chemical stability of nanosystems.

Techniques for Liquid Rocket Combustion Spontaneous Stability and Rough Combustion Assessments

NASA Technical Reports Server (NTRS)

Kenny, R. J.; Giacomoni, C.; Casiano, M. J.; Fischbach, S. R.

2016-01-01

This work presents techniques for liquid rocket engine combustion stability assessments with respect to spontaneous stability and rough combustion. Techniques covering empirical parameter extraction, which were established in prior works, are applied for three additional programs: the F-1 Gas Generator (F1GG) component test program, the RS-84 preburner component test program, and the Marshall Integrated Test Rig (MITR) program. Stability assessment parameters from these programs are compared against prior established spontaneous stability metrics and updates are identified. Also, a procedure for comparing measured with predicted mode shapes is presented, based on an extension of the Modal Assurance Criterion (MAC).

An Novel Continuation Power Flow Method Based on Line Voltage Stability Index

NASA Astrophysics Data System (ADS)

Zhou, Jianfang; He, Yuqing; He, Hongbin; Jiang, Zhuohan

2018-01-01

An novel continuation power flow method based on line voltage stability index is proposed in this paper. Line voltage stability index is used to determine the selection of parameterized lines, and constantly updated with the change of load parameterized lines. The calculation stages of the continuation power flow decided by the angle changes of the prediction of development trend equation direction vector are proposed in this paper. And, an adaptive step length control strategy is used to calculate the next prediction direction and value according to different calculation stages. The proposed method is applied clear physical concept, and the high computing speed, also considering the local characteristics of voltage instability which can reflect the weak nodes and weak area in a power system. Due to more fully to calculate the PV curves, the proposed method has certain advantages on analysing the voltage stability margin to large-scale power grid.

A Lyapunov method for stability analysis of piecewise-affine systems over non-invariant domains

NASA Astrophysics Data System (ADS)

Rubagotti, Matteo; Zaccarian, Luca; Bemporad, Alberto

2016-05-01

This paper analyses stability of discrete-time piecewise-affine systems, defined on possibly non-invariant domains, taking into account the possible presence of multiple dynamics in each of the polytopic regions of the system. An algorithm based on linear programming is proposed, in order to prove exponential stability of the origin and to find a positively invariant estimate of its region of attraction. The results are based on the definition of a piecewise-affine Lyapunov function, which is in general discontinuous on the boundaries of the regions. The proposed method is proven to lead to feasible solutions in a broader range of cases as compared to a previously proposed approach. Two numerical examples are shown, among which a case where the proposed method is applied to a closed-loop system, to which model predictive control was applied without a-priori guarantee of stability.

Prediction of chemical speciation in stabilized/solidified wastes using a general chemical equilibrium model. Part 1: Chemical representation of cementitious binders

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

Park, J.Y.; Batchelor, B.

1999-03-01

Chemical equilibrium models are useful to evaluate stabilized/solidified waste. A general equilibrium model, SOLTEQ, a modified version of MINTEQA2 for S/S, was applied to predict the chemical speciations in the stabilized/solidified waste form. A method was developed to prepare SOLTEQ input data that can chemically represent various stabilized/solidified binders. Taylor`s empirical model was used to describe partitioning of alkali ions. As a result, SOLTEQ could represent chemical speciation in pure binder systems such as ordinary Portland cement and ordinary Portland cement + fly ash. Moreover, SOLTEQ could reasonably describe the effects on the chemical speciation due to variations in water-to-cement,more » fly ash contents, and hydration times of various binder systems. However, this application of SOLTEQ was not accurate in predicting concentrations of Ca, Si, and SO{sub 4} ions, due to uncertainties in the CSH solubility model and K{sub sp} values of cement hydrates at high pH values.« less

On the Applicability of DLVO Theory to the Prediction of Clay Colloids Stability.

PubMed

Missana; Adell

2000-10-01

The stability behavior of Na-montmorillonite colloids has been studied by combining the analysis of their surface charge properties and time-resolved dynamic light scattering experiments. The chemical surface model for several types of clays, including montmorillonite, has to take into account the double surface charge contribution due to their permanent structural charge and to their pH-dependent charge, which is developed at the edge sites, therefore, these stability studies were carried out as a function of both ionic strength and pH. DLVO theory is largely applied for the prediction of the stability of many colloidal systems, including the natural ones. This work shows that the stability behavior of Na-montmorillonite colloids cannot be satisfactorily reproduced by DLVO theory, using the surface parameters experimentally obtained. Particularly, this theory is unable to explain their pH-dependent stability behavior caused by the small charge at the edge sites. Based on these results, a literature review of DLVO stability prediction of clay colloids was performed. It confirmed that this theory is not capable of taking into account the double contribution to the total surface charge and, at the same time, pointed out the main uncertainties related to the appropriate use of the input parameters for the calculation as, for example, the Hamaker constant or the surface potential. Copyright 2000 Academic Press.

Wavelet modeling and prediction of the stability of states: the Roman Empire and the European Union

NASA Astrophysics Data System (ADS)

Yaroshenko, Tatyana Y.; Krysko, Dmitri V.; Dobriyan, Vitalii; Zhigalov, Maksim V.; Vos, Hendrik; Vandenabeele, Peter; Krysko, Vadim A.

2015-09-01

How can the stability of a state be quantitatively determined and its future stability predicted? The rise and collapse of empires and states is very complex, and it is exceedingly difficult to understand and predict it. Existing theories are usually formulated as verbal models and, consequently, do not yield sharply defined, quantitative prediction that can be unambiguously validated with data. Here we describe a model that determines whether the state is in a stable or chaotic condition and predicts its future condition. The central model, which we test, is that growth and collapse of states is reflected by the changes of their territories, populations and budgets. The model was simulated within the historical societies of the Roman Empire (400 BC to 400 AD) and the European Union (1957-2007) by using wavelets and analysis of the sign change of the spectrum of Lyapunov exponents. The model matches well with the historical events. During wars and crises, the state becomes unstable; this is reflected in the wavelet analysis by a significant increase in the frequency ω (t) and wavelet coefficients W (ω, t) and the sign of the largest Lyapunov exponent becomes positive, indicating chaos. We successfully reconstructed and forecasted time series in the Roman Empire and the European Union by applying artificial neural network. The proposed model helps to quantitatively determine and forecast the stability of a state.

'Enzyme Test Bench': A biochemical application of the multi-rate modeling

NASA Astrophysics Data System (ADS)

Rachinskiy, K.; Schultze, H.; Boy, M.; Büchs, J.

2008-11-01

In the expanding field of 'white biotechnology' enzymes are frequently applied to catalyze the biochemical reaction from a resource material to a valuable product. Evolutionary designed to catalyze the metabolism in any life form, they selectively accelerate complex reactions under physiological conditions. Modern techniques, such as directed evolution, have been developed to satisfy the increasing demand on enzymes. Applying these techniques together with rational protein design, we aim at improving of enzymes' activity, selectivity and stability. To tap the full potential of these techniques, it is essential to combine them with adequate screening methods. Nowadays a great number of high throughput colorimetric and fluorescent enzyme assays are applied to measure the initial enzyme activity with high throughput. However, the prediction of enzyme long term stability within short experiments is still a challenge. A new high throughput technique for enzyme characterization with specific attention to the long term stability, called 'Enzyme Test Bench', is presented. The concept of the Enzyme Test Bench consists of short term enzyme tests conducted under partly extreme conditions to predict the enzyme long term stability under moderate conditions. The technique is based on the mathematical modeling of temperature dependent enzyme activation and deactivation. Adapting the temperature profiles in sequential experiments by optimum non-linear experimental design, the long term deactivation effects can be purposefully accelerated and detected within hours. During the experiment the enzyme activity is measured online to estimate the model parameters from the obtained data. Thus, the enzyme activity and long term stability can be calculated as a function of temperature. The results of the characterization, based on micro liter format experiments of hours, are in good agreement with the results of long term experiments in 1L format. Thus, the new technique allows for both: the enzyme screening with regard to the long term stability and the choice of the optimal process temperature. The presented article gives a successful example for the application of multi-rate modeling, experimental design and parameter estimation within biochemical engineering. At the same time, it shows the limitations of the methods at the state of the art and addresses the current problems to the applied mathematics community.

Frequency effects on the stability of a journal bearing for periodic loading

NASA Technical Reports Server (NTRS)

Vijayaraghavan, D.; Brewe, D. E.

1992-01-01

The stability of a journal bearing is numerically predicted when an unidirectional periodic external load is applied. The analysis is performed using a cavitation algorithm, which mimics the JFO theory by accounting for the mass balance through the complete bearing. Hence, the history of the film is taken into consideration. The loading pattern is taken to be sinusoidal and the frequency of the load cycle is varied. The results are compared with the predictions using Reynolds boundary conditions for both film rupture and reformation. With such comparisons, the need for accurately predicting the cavitation regions for complex loading patterns is clearly demonstrated. For a particular frequency of loading, the effects of mass, amplitude of load vibration and frequency of journal speed are also investigated.

Evaluating structure selection in the hydrothermal growth of FeS 2 pyrite and marcasite

DOE PAGES

Kitchaev, Daniil A.; Ceder, Gerbrand

2016-12-14

While the ab initio prediction of the properties of solids and their optimization towards new proposed materials is becoming established, little predictive theory exists as to which metastable materials can be made and how, impeding their experimental realization. Here we propose a quasi-thermodynamic framework for predicting the hydrothermal synthetic accessibility of metastable materials and apply this model to understanding the phase selection between the pyrite and marcasite polymorphs of FeS 2. We demonstrate that phase selection in this system can be explained by the surface stability of the two phases as a function of ambient pH within nano-size regimes relevantmore » to nucleation. This result suggests that a first-principles understanding of nano-size phase stability in realistic synthesis environments can serve to explain or predict the synthetic accessibility of structural polymorphs, providing a guideline to experimental synthesis via efficient computational materials design.« less

Stability analysis and trend study of a balloon tethered in a wind, with experimental comparisons

NASA Technical Reports Server (NTRS)

Redd, L. T.; Bland, S. R.; Bennett, R. M.

1973-01-01

A stability analysis and trend study for a balloon tethered in a steady wind are presented. The linearized, stability-derivative type analysis includes balloon aerodynamics, buoyancy, mass (including apparent mass), and static forces resulting from the tether cable. The analysis has been applied to a balloon 7.64 m in length, and the results are compared with those from tow tests of this balloon. This comparison shows that the analysis gives reasonable predictions for the damping, frequencies, modes of motion, and stability boundaries exhibited by the balloon. A trend study for the 7.64-m balloon was made to illustrate how the stability boundaries are affected by changes in individual stability parameters. The trends indicated in this study may also be applicable to many other tethered-balloon systems.

Stability characteristics of compressible boundary layers over thermo-mechanically compliant walls

NASA Astrophysics Data System (ADS)

Dettenrieder, Fabian; Bodony, Daniel

2017-11-01

Transition prediction at hypersonic flight conditions continues to be a challenge and results in conservative safety factors that increase vehicle weight. The weight and thus cost reduction of the outer skin panels promises significant impact; however, fluid-structure interaction due to unsteady perturbations in the laminar boundary layer regime has not been systematically studied at conditions relevant for reusable, hypersonic flight. In this talk, we develop and apply convective and global stability analyses for compressible boundary layers over thermo-mechanically compliant panels. This compliance is shown to change the convective stability of the boundary layer modes, with both stabilization and destabilization observed. Finite panel lengths are shown to affect the global stability properties of the boundary layer.

Stability of a new cubic monoxide of Thorium under pressure

PubMed Central

Sun, Weiwei; Luo, Wei; Ahuja, Rajeev

2015-01-01

Density functional theory has been applied to elucidate the stability of thorium monoxide (ThO). It is found out that the pressure can stabilize the rocksalt phase of ThO, and the transition pressure is estimated between 14 and 22 GPa. The stability of ThO can be attributed due to the gradually filling 5f orbitals at the expense of 7s and 6d electrons in Th metal. For ThO, the pressure induces stronger Th-O bond reflected by the newly established 6d-2p hybridization which is the dominant cause of its stability. The phonon dispersion curves of the rocksalt phase show the positive frequencies which indicates its dynamical stability. Our successful prediction of the stabilization of the metallic ThO has proposed a route to synthesize novel actinide monoxides. PMID:26337015

Evaluation of accelerated stability test conditions for medicated chewing gums.

PubMed

Maggi, Lauretta; Conte, Ubaldo; Nhamias, Alain; Grenier, Pascal; Vergnault, Guy

2013-10-01

The overall stability of medicated chewing gums is investigated under different storage conditions. Active substances with different chemical stabilities in solid state are chosen as model drugs. The dosage form is a three layer tablet obtained by direct compression. The gum core contains the active ingredient while the external layers are formulated to prevent gum adhesion to the punches of the tableting machine. Two accelerated test conditions (40°C/75% RH and 30°C/65% RH) are performed for 6 months. Furthermore, a long-term stability test at room conditions is conducted to verify the predictability of the results obtained from the stress tests. Some drugs are stable in all the conditions tested, but other drugs, generally considered stable in solid dosage forms, have shown relevant stability problems particularly when stress test conditions are applied to this particular semi-solid dosage forms. For less stable drugs, the stress conditions of 40°C/75% RH are not always predictable of chewing gum stability at room temperature and may produce false negative; intermediate conditions, 30°C/65% RH, are more predictive for this purpose, the results of drug content found after 6 months at intermediate stress conditions and 12 months at room conditions are generally comparable. But the results obtained show that only long-term conditions stability tests gave consistent results. During aging, the semi solid nature of the gum base itself, may also influence the drug delivery rate during chewing and great attention should be given also to the dissolution stability.

A Dynamic Hydrology-Critical Zone Framework for Rainfall-triggered Landslide Hazard Prediction

NASA Astrophysics Data System (ADS)

Dialynas, Y. G.; Foufoula-Georgiou, E.; Dietrich, W. E.; Bras, R. L.

2017-12-01

Watershed-scale coupled hydrologic-stability models are still in their early stages, and are characterized by important limitations: (a) either they assume steady-state or quasi-dynamic watershed hydrology, or (b) they simulate landslide occurrence based on a simple one-dimensional stability criterion. Here we develop a three-dimensional landslide prediction framework, based on a coupled hydrologic-slope stability model and incorporation of the influence of deep critical zone processes (i.e., flow through weathered bedrock and exfiltration to the colluvium) for more accurate prediction of the timing, location, and extent of landslides. Specifically, a watershed-scale slope stability model that systematically accounts for the contribution of driving and resisting forces in three-dimensional hillslope segments was coupled with a spatially-explicit and physically-based hydrologic model. The landslide prediction framework considers critical zone processes and structure, and explicitly accounts for the spatial heterogeneity of surface and subsurface properties that control slope stability, including soil and weathered bedrock hydrological and mechanical characteristics, vegetation, and slope morphology. To test performance, the model was applied in landslide-prone sites in the US, the hydrology of which has been extensively studied. Results showed that both rainfall infiltration in the soil and groundwater exfiltration exert a strong control on the timing and magnitude of landslide occurrence. We demonstrate the extent to which three-dimensional slope destabilizing factors, which are modulated by dynamic hydrologic conditions in the soil-bedrock column, control landslide initiation at the watershed scale.

Computer program for prediction of fuel consumption statistical data for an upper stage three-axes stabilized on-off control system

NASA Technical Reports Server (NTRS)

1982-01-01

A FORTRAN coded computer program and method to predict the reaction control fuel consumption statistics for a three axis stabilized rocket vehicle upper stage is described. A Monte Carlo approach is used which is more efficient by using closed form estimates of impulses. The effects of rocket motor thrust misalignment, static unbalance, aerodynamic disturbances, and deviations in trajectory, mass properties and control system characteristics are included. This routine can be applied to many types of on-off reaction controlled vehicles. The pseudorandom number generation and statistical analyses subroutines including the output histograms can be used for other Monte Carlo analyses problems.

Individual Differences in False Belief Understanding Are Stable from 3 to 6 Years of Age and Predict Children's Mental State Talk with School Friends

ERIC Educational Resources Information Center

Hughes, Claire; Ensor, Rosie; Marks, Alex

2011-01-01

Despite a wealth of studies in the field, longitudinal assessments of both the stability and predictive utility of individual differences in preschoolers' understanding of the mind remain scarce. To address these gaps, we applied latent variable analyses to (a) experimental data gathered from a socially diverse sample (N = 101, 60 boys and 41…

Thermal barrier coating life prediction model development

NASA Technical Reports Server (NTRS)

Strangman, T. E.; Neumann, J. F.; Tasooji, A.

1985-01-01

This program focuses on predicting the lives of two types of strain-tolerant and oxidation-resistant thermal barrier coating (TBC) systems that are produced by commercial coating suppliers to the gas turbine industry. The plasma-sprayed TBC system is composed of a low pressure, plasma sprayed applied, oxidation resistant NiCrAlY bond coating. The other system is an air plasma sprayed yttria (8 percent) partially stabilized zirconia insulative layer.

Design and analysis of a model predictive controller for active queue management.

PubMed

Wang, Ping; Chen, Hong; Yang, Xiaoping; Ma, Yan

2012-01-01

Model predictive (MP) control as a novel active queue management (AQM) algorithm in dynamic computer networks is proposed. According to the predicted future queue length in the data buffer, early packets at the router are dropped reasonably by the MPAQM controller so that the queue length reaches the desired value with minimal tracking error. The drop probability is obtained by optimizing the network performance. Further, randomized algorithms are applied to analyze the robustness of MPAQM successfully, and also to provide the stability domain of systems with uncertain network parameters. The performances of MPAQM are evaluated through a series of simulations in NS2. The simulation results show that the MPAQM algorithm outperforms RED, PI, and REM algorithms in terms of stability, disturbance rejection, and robustness. Copyright © 2011 ISA. Published by Elsevier Ltd. All rights reserved.

Perplexities and Provocations of Eating Disorders

ERIC Educational Resources Information Center

Halmi, Katherine A.

2009-01-01

Background: Etiological hypotheses of eating disorders, anorexia nervosa and bulimia nervosa have not produced informative research for predictably effective treatment. Methods: The rationale for applying a model of allostasis, a dysregulation of reward circuits with activation of brain and hormonal stress responses to maintain apparent stability,…

FORMAL UNCERTAINTY ANALYSIS OF A LAGRANGIAN PHOTOCHEMICAL AIR POLLUTION MODEL. (R824792)

EPA Science Inventory

This study applied Monte Carlo analysis with Latin
hypercube sampling to evaluate the effects of uncertainty
in air parcel trajectory paths, emissions, rate constants,
deposition affinities, mixing heights, and atmospheric stability
on predictions from a vertically...

Structure-based activity prediction of CYP21A2 stability variants: A survey of available gene variations.

PubMed

Bruque, Carlos D; Delea, Marisol; Fernández, Cecilia S; Orza, Juan V; Taboas, Melisa; Buzzalino, Noemí; Espeche, Lucía D; Solari, Andrea; Luccerini, Verónica; Alba, Liliana; Nadra, Alejandro D; Dain, Liliana

2016-12-14

Congenital adrenal hyperplasia due to 21-hydroxylase deficiency accounts for 90-95% of CAH cases. In this work we performed an extensive survey of mutations and SNPs modifying the coding sequence of the CYP21A2 gene. Using bioinformatic tools and two plausible CYP21A2 structures as templates, we initially classified all known mutants (n = 343) according to their putative functional impacts, which were either reported in the literature or inferred from structural models. We then performed a detailed analysis on the subset of mutations believed to exclusively impact protein stability. For those mutants, the predicted stability was calculated and correlated with the variant's expected activity. A high concordance was obtained when comparing our predictions with available in vitro residual activities and/or the patient's phenotype. The predicted stability and derived activity of all reported mutations and SNPs lacking functional assays (n = 108) were assessed. As expected, most of the SNPs (52/76) showed no biological implications. Moreover, this approach was applied to evaluate the putative synergy that could emerge when two mutations occurred in cis. In addition, we propose a putative pathogenic effect of five novel mutations, p.L107Q, p.L122R, p.R132H, p.P335L and p.H466fs, found in 21-hydroxylase deficient patients of our cohort.

Structure-based activity prediction of CYP21A2 stability variants: A survey of available gene variations

PubMed Central

Bruque, Carlos D.; Delea, Marisol; Fernández, Cecilia S.; Orza, Juan V.; Taboas, Melisa; Buzzalino, Noemí; Espeche, Lucía D.; Solari, Andrea; Luccerini, Verónica; Alba, Liliana; Nadra, Alejandro D.; Dain, Liliana

2016-01-01

Congenital adrenal hyperplasia due to 21-hydroxylase deficiency accounts for 90–95% of CAH cases. In this work we performed an extensive survey of mutations and SNPs modifying the coding sequence of the CYP21A2 gene. Using bioinformatic tools and two plausible CYP21A2 structures as templates, we initially classified all known mutants (n = 343) according to their putative functional impacts, which were either reported in the literature or inferred from structural models. We then performed a detailed analysis on the subset of mutations believed to exclusively impact protein stability. For those mutants, the predicted stability was calculated and correlated with the variant’s expected activity. A high concordance was obtained when comparing our predictions with available in vitro residual activities and/or the patient’s phenotype. The predicted stability and derived activity of all reported mutations and SNPs lacking functional assays (n = 108) were assessed. As expected, most of the SNPs (52/76) showed no biological implications. Moreover, this approach was applied to evaluate the putative synergy that could emerge when two mutations occurred in cis. In addition, we propose a putative pathogenic effect of five novel mutations, p.L107Q, p.L122R, p.R132H, p.P335L and p.H466fs, found in 21-hydroxylase deficient patients of our cohort. PMID:27966633

Lateral stability and control derivatives extracted from five early flights of the space shuttle Columbia

NASA Technical Reports Server (NTRS)

Schiess, J. R.

1986-01-01

Flight data taken from the first five flights (STS-2, 3, 4, 5 and 9) of the Space Transportation System Shuttle Columbia during entry are analyzed to determine the Shuttle lateral aerodynamic characteristics. Maximum likelihood estimation is applied to data derived from accelerometer and rate gyro measurements and trajectory, meteorological and control surface data to estimate lateral-directional stability and control derivatives. The estimated parameters are compared across the five flights and to preflight predicted values.

Prediction of incidence and stability of alcohol use disorders by latent internalizing psychopathology risk profiles in adolescence and young adulthood.

PubMed

Behrendt, Silke; Bühringer, Gerhard; Höfler, Michael; Lieb, Roselind; Beesdo-Baum, Katja

2017-10-01

Comorbid internalizing mental disorders in alcohol use disorders (AUD) can be understood as putative independent risk factors for AUD or as expressions of underlying shared psychopathology vulnerabilities. However, it remains unclear whether: 1) specific latent internalizing psychopathology risk-profiles predict AUD-incidence and 2) specific latent internalizing comorbidity-profiles in AUD predict AUD-stability. To investigate baseline latent internalizing psychopathology risk profiles as predictors of subsequent AUD-incidence and -stability in adolescents and young adults. Data from the prospective-longitudinal EDSP study (baseline age 14-24 years) were used. The study-design included up to three follow-up assessments in up to ten years. DSM-IV mental disorders were assessed with the DIA-X/M-CIDI. To investigate risk-profiles and their associations with AUD-outcomes, latent class analysis with auxiliary outcome variables was applied. AUD-incidence: a 4-class model (N=1683) was identified (classes: normative-male [45.9%], normative-female [44.2%], internalizing [5.3%], nicotine dependence [4.5%]). Compared to the normative-female class, all other classes were associated with a higher risk of subsequent incident alcohol dependence (p<0.05). AUD-stability: a 3-class model (N=1940) was identified with only one class (11.6%) with high probabilities for baseline AUD. This class was further characterized by elevated substance use disorder (SUD) probabilities and predicted any subsequent AUD (OR 8.5, 95% CI 5.4-13.3). An internalizing vulnerability may constitute a pathway to AUD incidence in adolescence and young adulthood. In contrast, no indication for a role of internalizing comorbidity profiles in AUD-stability was found, which may indicate a limited importance of such profiles - in contrast to SUD-related profiles - in AUD stability. Copyright © 2017 Elsevier B.V. All rights reserved.

Prediction and analysis of structure, stability and unfolding of thermolysin-like proteases

NASA Astrophysics Data System (ADS)

Vriend, Gert; Eijsink, Vincent

1993-08-01

Bacillus neutral proteases (NPs) form a group of well-characterized homologous enzymes, that exhibit large differences in thermostability. The three-dimensional (3D) structures of several of these enzymes have been modelled on the basis of the crystal structures of the NPs of B. thermoproteolyticus (thermolysin) and B. cercus. Several new techniques have been developed to improve the model-building procedures. Also a model-building by mutagenesis' strategy was used, in which mutants were designed just to shed light on parts of the structures that were particularly hard to model. The NP models have been used for the prediction of site-directed mutations aimed at improving the thermostability of the enzymes. Predictions were made using several novel computational techniques, such as position-specific rotamer searching, packing quality analysis and property-profile database searches. Many stabilizing mutations were predicted and produced: improvement of hydrogen bonding, exclusion of buried water molecules, capping helices, improvement of hydrophobic interactions and entropic stabilization have been applied successfully. At elevated temperatures NPs are irreversibly inactivated as a result of autolysis. It has been shown that this denaturation process is independent of the protease activity and concentration and that the inactivation follows first-order kinetics. From this it has been conjectured that local unfolding of (surface) loops, which renders the protein susceptible to autolysis, is the rate-limiting step. Despite the particular nature of the thermal denaturation process, normal rules for protein stability can be applied to NPs. However, rather than stabilizing the whole protein against global unfolding, only a small region has to be protected against local unfolding. In contrast to proteins in general, mutational effects in proteases are not additive and their magnitude is strongly dependent on the location of the mutation. Mutations that alter the stability of the NP by a large amount are located in a relatively weak region (or more precisely, they affect a local unfolding pathway with a relatively low free energy of activation). One weak region, that is supposedly important in the early steps of NP unfolding, has been determined in the NP of B. stearothermophilus. After eliminating this weakest link a drastic increase in thermostability was observed and the search for the second-weakest link, or the second-lowest energy local unfolding pathway is now in progress. Hopefully, this approach can be used to unravel the entire early phase of unfolding.

Stability and spatial arrangement of the 2,4-dichlorophenoxyacetic acid and β-cyclodextrin inclusion compound: A theoretical study

NASA Astrophysics Data System (ADS)

Pereira, Robson A.; Anconi, Cleber P. A.; Nascimento, Clebio S.; De Almeida, Wagner B.; Dos Santos, Hélio F.

2015-07-01

The present letter reports results from a comprehensive theoretical analysis of the inclusion process involving 2,4-dichlorophenoxyacetic acid (2,4-D) and β-cyclodextrin (β-CD) for which the experimental data of formation is available. Spatial arrangement and stabilization energies were evaluated in gas phase and aqueous solution through density functional theory (DFT) and through the use of SMD implicit solvation approach. The discussed methodology was applied to predict the stability and identify the most favorable form (deprotonated or neutral) as well as the most probable spatial arrangement of the studied inclusion compound.

Frequency effects on the stability of a journal bearing for periodic loading

NASA Technical Reports Server (NTRS)

Vijayaraghavan, D.; Brewe, D. E.

1991-01-01

The stability of a journal bearing is numerically predicted when a unidirectional periodic external load is applied. The analysis is performed using a cavitation algorithm, which mimics the Jakobsson-Floberg and Olsson (JFO) theory by accounting for the mass balance through the complete bearing. Hence, the history of the film is taken into consideration. The loading pattern is taken to be sinusoidal and the frequency of the load cycle is varied. The results are compared with the predictions using Reynolds boundary conditions for both film rupture and reformation. With such comparisons, the need for accurately predicting the cavitation regions for complex loading patterns is clearly demonstrated. For a particular frequency of loading, the effects of mass, amplitude of load variation and frequency of journal speed are also investigated. The journal trajectories, transient variations in fluid film forces, net surface velocity and minimum film thickness, and pressure profiles are also presented.

High-throughput screening and stability optimization of anti-streptavidin IgG1 and IgG2 formulations.

PubMed

Alekseychyk, Larysa; Su, Cheng; Becker, Gerald W; Treuheit, Michael J; Razinkov, Vladimir I

2014-10-01

Selection of a suitable formulation that provides adequate product stability is an important aspect of the development of biopharmaceutical products. Stability of proteins includes not only resistance to chemical modifications but also conformational and colloidal stabilities. While chemical degradation of antibodies is relatively easy to detect and control, propensity for conformational changes and/or aggregation during manufacturing or long-term storage is difficult to predict. In many cases, the formulation factors that increase one type of stability may significantly decrease another type under the same or different conditions. Often compromise is necessary to minimize the adverse effects of an antibody formulation by careful optimization of multiple factors responsible for overall stability. In this study, high-throughput stress and characterization techniques were applied to 96 formulations of anti-streptavidin antibodies (an IgG1 and an IgG2) to choose optimal formulations. Stress and analytical methods applied in this study were 96-well plate based using an automated liquid handling system to prepare the different formulations and sample plates. Aggregation and clipping propensity were evaluated by temperature and mechanical stresses. Multivariate regression analysis of high-throughput data was performed to find statistically significant formulation factors that alter measured parameters such as monomer percentage or unfolding temperature. The results of the regression models were used to maximize the stabilities of antibodies under different formulations and to find the optimal formulation space for each molecule. Comparison of the IgG1 and IgG2 data indicated an overall greater stability of the IgG1 molecule under the conditions studied. The described method can easily be applied to both initial preformulation screening and late-stage formulation development of biopharmaceutical products. © 2014 Society for Laboratory Automation and Screening.

Subsonic Wing Optimization for Handling Qualities Using ACSYNT

NASA Technical Reports Server (NTRS)

Soban, Danielle Suzanne

1996-01-01

The capability to accurately and rapidly predict aircraft stability derivatives using one comprehensive analysis tool has been created. The PREDAVOR tool has the following capabilities: rapid estimation of stability derivatives using a vortex lattice method, calculation of a longitudinal handling qualities metric, and inherent methodology to optimize a given aircraft configuration for longitudinal handling qualities, including an intuitive graphical interface. The PREDAVOR tool may be applied to both subsonic and supersonic designs, as well as conventional and unconventional, symmetric and asymmetric configurations. The workstation-based tool uses as its model a three-dimensional model of the configuration generated using a computer aided design (CAD) package. The PREDAVOR tool was applied to a Lear Jet Model 23 and the North American XB-70 Valkyrie.

Dynamic stability of spinning pretwisted beams subjected to axial random forces

NASA Astrophysics Data System (ADS)

Young, T. H.; Gau, C. Y.

2003-11-01

This paper studies the dynamic stability of a pretwisted cantilever beam spinning along its longitudinal axis and subjected to an axial random force at the free end. The axial force is assumed as the sum of a constant force and a random process with a zero mean. Due to this axial force, the beam may experience parametric random instability. In this work, the finite element method is first applied to yield discretized system equations. The stochastic averaging method is then adopted to obtain Ito's equations for the response amplitudes of the system. Finally the mean-square stability criterion is utilized to determine the stability condition of the system. Numerical results show that the stability boundary of the system converges as the first three modes are taken into calculation. Before the convergence is reached, the stability condition predicted is not conservative enough.

Kinetic Shapes: Analysis, Verification, and Applications.

PubMed

Handz̆ić, Ismet; Reed, Kyle B

2014-06-01

A circular shape placed on an incline will roll; similarly, an irregularly shaped object, such as the Archimedean spiral, will roll on a flat surface when a force is applied to its axle. This rolling is dependent on the specific shape and the applied force (magnitude and location). In this paper, we derive formulas that define the behavior of irregular 2D and 3D shapes on a flat plane when a weight is applied to the shape's axle. These kinetic shape (KS) formulas also define and predict shapes that exert given ground reaction forces when a known weight is applied at the axle rotation point. Three 2D KS design examples are physically verified statically with good correlation to predicted values. Motion simulations of unrestrained 2D KS yielded expected results in shape dynamics and self-stabilization. We also put forth practical application ideas and research for 2D and 3D KS such as in robotics and gait rehabilitation.

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

Zou, Ling; Zhao, Haihua; Kim, Seung Jun

In this study, the classical Welander’s oscillatory natural circulation problem is investigated using high-order numerical methods. As originally studied by Welander, the fluid motion in a differentially heated fluid loop can exhibit stable, weakly instable, and strongly instable modes. A theoretical stability map has also been originally derived from the stability analysis. Numerical results obtained in this paper show very good agreement with Welander’s theoretical derivations. For stable cases, numerical results from both the high-order and low-order numerical methods agree well with the non-dimensional flow rate analytically derived. The high-order numerical methods give much less numerical errors compared to themore » low-order methods. For stability analysis, the high-order numerical methods could perfectly predict the stability map, while the low-order numerical methods failed to do so. For all theoretically unstable cases, the low-order methods predicted them to be stable. The result obtained in this paper is a strong evidence to show the benefits of using high-order numerical methods over the low-order ones, when they are applied to simulate natural circulation phenomenon that has already gain increasing interests in many future nuclear reactor designs.« less

A Deeper Understanding of Stability in the Solar Wind: Applying Nyquist's Instability Criterion to Wind Faraday Cup Data

NASA Astrophysics Data System (ADS)

Alterman, B. L.; Klein, K. G.; Verscharen, D.; Stevens, M. L.; Kasper, J. C.

2017-12-01

Long duration, in situ data sets enable large-scale statistical analysis of free-energy-driven instabilities in the solar wind. The plasma beta and temperature anisotropy plane provides a well-defined parameter space in which a single-fluid plasma's stability can be represented. Because this reduced parameter space can only represent instability thresholds due to the free energy of one ion species - typically the bulk protons - the true impact of instabilities on the solar wind is under estimated. Nyquist's instability criterion allows us to systematically account for other sources of free energy including beams, drifts, and additional temperature anisotropies. Utilizing over 20 years of Wind Faraday cup and magnetic field observations, we have resolved the bulk parameters for three ion populations: the bulk protons, beam protons, and alpha particles. Applying Nyquist's criterion, we calculate the number of linearly growing modes supported by each spectrum and provide a more nuanced consideration of solar wind stability. Using collisional age measurements, we predict the stability of the solar wind close to the sun. Accounting for the free-energy from the three most common ion populations in the solar wind, our approach provides a more complete characterization of solar wind stability.

Prediction of zeolite-cement-sand unconfined compressive strength using polynomial neural network

NASA Astrophysics Data System (ADS)

MolaAbasi, H.; Shooshpasha, I.

2016-04-01

The improvement of local soils with cement and zeolite can provide great benefits, including strengthening slopes in slope stability problems, stabilizing problematic soils and preventing soil liquefaction. Recently, dosage methodologies are being developed for improved soils based on a rational criterion as it exists in concrete technology. There are numerous earlier studies showing the possibility of relating Unconfined Compressive Strength (UCS) and Cemented sand (CS) parameters (voids/cement ratio) as a power function fits. Taking into account the fact that the existing equations are incapable of estimating UCS for zeolite cemented sand mixture (ZCS) well, artificial intelligence methods are used for forecasting them. Polynomial-type neural network is applied to estimate the UCS from more simply determined index properties such as zeolite and cement content, porosity as well as curing time. In order to assess the merits of the proposed approach, a total number of 216 unconfined compressive tests have been done. A comparison is carried out between the experimentally measured UCS with the predictions in order to evaluate the performance of the current method. The results demonstrate that generalized polynomial-type neural network has a great ability for prediction of the UCS. At the end sensitivity analysis of the polynomial model is applied to study the influence of input parameters on model output. The sensitivity analysis reveals that cement and zeolite content have significant influence on predicting UCS.

Mechanistic Approach to Stability Studies as a Tool for the Optimization and Development of New Products Based on L. rhamnosus Lcr35® in Compliance with Current Regulations

PubMed Central

Muller, Claudia; Busignies, Virginie; Mazel, Vincent; Forestier, Christiane; Nivoliez, Adrien; Tchoreloff, Pierre

2013-01-01

Probiotics are of great current interest in the pharmaceutical industry because of their multiple effects on human health. To beneficially affect the host, an adequate dosage of the probiotic bacteria in the product must be guaranteed from the time of manufacturing to expiration date. Stability test guidelines as laid down by the ICH-Q1A stipulate a minimum testing period of 12 months. The challenge for producers is to reduce this time. In this paper, a mechanistic approach using the Arrhenius model is proposed to predict stability. Applied for the first time to laboratory and industrial probiotic powders, the model was able to provide a reliable mathematical representation of the effects of temperature on bacterial death (R2>0.9). The destruction rate (k) was determined according to the manufacturing process, strain and storage conditions. The marketed product demonstrated a better stability (k = 0.08 months−1) than the laboratory sample (k = 0.80 months−1). With industrial batches, k obtained at 6 months of studies was comparable to that obtained at 12 months, evidence of the model’s robustness. In addition, predicted values at 12 months were greatly similar (±30%) to those obtained by real-time assessing the model’s reliability. This method could be an interesting approach to predict the probiotic stability and could reduce to 6 months the length of stability studies as against 12 (ICH guideline) or 24 months (expiration date). PMID:24244412

Protein secondary structure and stability determined by combining exoproteolysis and matrix-assisted laser desorption/ionization time-of-flight mass spectrometry.

PubMed

Villanueva, Josep; Villegas, Virtudes; Querol, Enrique; Avilés, Francesc X; Serrano, Luis

2002-09-01

In the post-genomic era, several projects focused on the massive experimental resolution of the three-dimensional structures of all the proteins of different organisms have been initiated. Simultaneously, significant progress has been made in the ab initio prediction of protein three-dimensional structure. One of the keys to the success of such a prediction is the use of local information (i.e. secondary structure). Here we describe a new limited proteolysis methodology, based on the use of unspecific exoproteases coupled with matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS), to map quickly secondary structure elements of a protein from both ends, the N- and C-termini. We show that the proteolytic patterns (mass spectra series) obtained can be interpreted in the light of the conformation and local stability of the analyzed proteins, a direct correlation being observed between the predicted and the experimentally derived protein secondary structure. Further, this methodology can be easily applied to check rapidly the folding state of a protein and characterize mutational effects on protein conformation and stability. Moreover, given global stability information, this methodology allows one to locate the protein regions of increased or decreased conformational stability. All of this can be done with a small fraction of the amount of protein required by most of the other methods for conformational analysis. Thus limited exoproteolysis, together with MALDI-TOF MS, can be a useful tool to achieve quickly the elucidation of protein structure and stability. Copyright 2002 John Wiley & Sons, Ltd.

Frequency stability improvement for piezoresistive micromechanical oscillators via synchronization

NASA Astrophysics Data System (ADS)

Pu, Dong; Huan, Ronghua; Wei, Xueyong

2017-03-01

Synchronization phenomenon first discovered in Huygens' clock shows that the rhythms of oscillating objects can be adjusted via an interaction. Here we show that the frequency stability of a piezoresistive micromechanical oscillator can be enhanced via synchronization. The micromechanical clamped-clamped beam oscillator is built up using the electrostatic driving and piezoresistive sensing technique and the synchronization phenomenon is observed after coupling it to an external oscillator. An enhancement of frequency stability is obtained in the synchronization state. The influences of the synchronizing perturbation intensity and frequency detuning applied on the oscillator are studied experimentally. A theoretical analysis of phase noise leads to an analytical formula for predicting Allan deviation of the frequency output of the piezoresistive oscillator, which successfully explains the experimental observations and the mechanism of frequency stability enhancement via synchronization.

GDAP: a web tool for genome-wide protein disulfide bond prediction.

PubMed

O'Connor, Brian D; Yeates, Todd O

2004-07-01

The Genomic Disulfide Analysis Program (GDAP) provides web access to computationally predicted protein disulfide bonds for over one hundred microbial genomes, including both bacterial and achaeal species. In the GDAP process, sequences of unknown structure are mapped, when possible, to known homologous Protein Data Bank (PDB) structures, after which specific distance criteria are applied to predict disulfide bonds. GDAP also accepts user-supplied protein sequences and subsequently queries the PDB sequence database for the best matches, scans for possible disulfide bonds and returns the results to the client. These predictions are useful for a variety of applications and have previously been used to show a dramatic preference in certain thermophilic archaea and bacteria for disulfide bonds within intracellular proteins. Given the central role these stabilizing, covalent bonds play in such organisms, the predictions available from GDAP provide a rich data source for designing site-directed mutants with more stable thermal profiles. The GDAP web application is a gateway to this information and can be used to understand the role disulfide bonds play in protein stability both in these unusual organisms and in sequences of interest to the individual researcher. The prediction server can be accessed at http://www.doe-mbi.ucla.edu/Services/GDAP.

A Topology Control Strategy with Reliability Assurance for Satellite Cluster Networks in Earth Observation

PubMed Central

Chen, Qing; Zhang, Jinxiu; Hu, Ze

2017-01-01

This article investigates the dynamic topology control problem of satellite cluster networks (SCNs) in Earth observation (EO) missions by applying a novel metric of stability for inter-satellite links (ISLs). The properties of the periodicity and predictability of satellites’ relative position are involved in the link cost metric which is to give a selection criterion for choosing the most reliable data routing paths. Also, a cooperative work model with reliability is proposed for the situation of emergency EO missions. Based on the link cost metric and the proposed reliability model, a reliability assurance topology control algorithm and its corresponding dynamic topology control (RAT) strategy are established to maximize the stability of data transmission in the SCNs. The SCNs scenario is tested through some numeric simulations of the topology stability of average topology lifetime and average packet loss rate. Simulation results show that the proposed reliable strategy applied in SCNs significantly improves the data transmission performance and prolongs the average topology lifetime. PMID:28241474

A Topology Control Strategy with Reliability Assurance for Satellite Cluster Networks in Earth Observation.

PubMed

Chen, Qing; Zhang, Jinxiu; Hu, Ze

2017-02-23

This article investigates the dynamic topology control problemof satellite cluster networks (SCNs) in Earth observation (EO) missions by applying a novel metric of stability for inter-satellite links (ISLs). The properties of the periodicity and predictability of satellites' relative position are involved in the link cost metric which is to give a selection criterion for choosing the most reliable data routing paths. Also, a cooperative work model with reliability is proposed for the situation of emergency EO missions. Based on the link cost metric and the proposed reliability model, a reliability assurance topology control algorithm and its corresponding dynamic topology control (RAT) strategy are established to maximize the stability of data transmission in the SCNs. The SCNs scenario is tested through some numeric simulations of the topology stability of average topology lifetime and average packet loss rate. Simulation results show that the proposed reliable strategy applied in SCNs significantly improves the data transmission performance and prolongs the average topology lifetime.

PoPMuSiC 2.1: a web server for the estimation of protein stability changes upon mutation and sequence optimality.

PubMed

Dehouck, Yves; Kwasigroch, Jean Marc; Gilis, Dimitri; Rooman, Marianne

2011-05-13

The rational design of modified proteins with controlled stability is of extreme importance in a whole range of applications, notably in the biotechnological and environmental areas, where proteins are used for their catalytic or other functional activities. Future breakthroughs in medical research may also be expected from an improved understanding of the effect of naturally occurring disease-causing mutations on the molecular level. PoPMuSiC-2.1 is a web server that predicts the thermodynamic stability changes caused by single site mutations in proteins, using a linear combination of statistical potentials whose coefficients depend on the solvent accessibility of the mutated residue. PoPMuSiC presents good prediction performances (correlation coefficient of 0.8 between predicted and measured stability changes, in cross validation, after exclusion of 10% outliers). It is moreover very fast, allowing the prediction of the stability changes resulting from all possible mutations in a medium size protein in less than a minute. This unique functionality is user-friendly implemented in PoPMuSiC and is particularly easy to exploit. Another new functionality of our server concerns the estimation of the optimality of each amino acid in the sequence, with respect to the stability of the structure. It may be used to detect structural weaknesses, i.e. clusters of non-optimal residues, which represent particularly interesting sites for introducing targeted mutations. This sequence optimality data is also expected to have significant implications in the prediction and the analysis of particular structural or functional protein regions. To illustrate the interest of this new functionality, we apply it to a dataset of known catalytic sites, and show that a much larger than average concentration of structural weaknesses is detected, quantifying how these sites have been optimized for function rather than stability. The freely available PoPMuSiC-2.1 web server is highly useful for identifying very rapidly a list of possibly relevant mutations with the desired stability properties, on which subsequent experimental studies can be focused. It can also be used to detect sequence regions corresponding to structural weaknesses, which could be functionally important or structurally delicate regions, with obvious applications in rational protein design.

Tailored Excitation for Frequency Response Measurement Applied to the X-43A Flight Vehicle

NASA Technical Reports Server (NTRS)

Baumann, Ethan

2007-01-01

An important aspect of any flight research project is assessing aircraft stability and flight control performance. In some programs this assessment is accomplished through the estimation of the in-flight vehicle frequency response. This estimation has traditionally been a lengthy task requiring separate swept sine inputs for each control axis at a constant flight condition. Hypersonic vehicles spend little time at any specific flight condition while they are decelerating. Accordingly, it is difficult to use traditional methods to calculate the vehicle frequency response and stability margins for this class of vehicle. A technique has been previously developed to significantly reduce the duration of the excitation input by tailoring the input to excite only the frequency range of interest. Reductions in test time were achieved by simultaneously applying tailored excitation signals to multiple control loops, allowing a quick estimate of the frequency response of a particular aircraft. This report discusses the flight results obtained from applying a tailored excitation input to the X-43A longitudinal and lateral-directional control loops during the second and third flights. The frequency responses and stability margins obtained from flight data are compared with preflight predictions.

Influence of the stretch wrapping process on the mechanical behavior of a stretch film

NASA Astrophysics Data System (ADS)

Klein, Daniel; Stommel, Markus; Zimmer, Johannes

2018-05-01

Lightweight construction is an ongoing task in packaging development. Consequently, the stability of packages during transport is gaining importance. This study contributes to the optimization of lightweight packaging concepts regarding their stability. A very widespread packaging concept is the distribution of goods on a pallet whereas a Polyethylene (PE) stretch film stabilizes the lightweight structure during the shipment. Usually, a stretch wrapping machine applies this stretch film to the pallet. The objective of this study is to support packaging development with a method that predicts the result of the wrapping process, based on the mechanical characterization of the stretch film. This result is not only defined by the amount of stretch film, its spatial distribution on the pallet and its internal stresses that result in a containment force. More accurate, this contribution also considers the influence of the deformation history of the stretch film during the wrapping process. By focusing on similarities of stretch wrappers rather than on differences, the influence of generalized process parameters on stretch film mechanics and thereby on pallet stability can be determined experimentally. For a practical use, the predictive method is accumulated in an analytic model of the wrapping process that can be verified experimentally. This paves the way for experimental and numerical approaches regarding the optimization of pallet stability.

Relationships between slope erosion processes and aggregate stability of Ultisols from subtropical China during rainstorms

NASA Astrophysics Data System (ADS)

Liu, Gang; Xiao, Hai; Liu, Puling

2017-04-01

Soil aggregates, being a key soil structural unit, influence several soil physical properties such as water infiltration, runoff and erosion. The relationship between soil aggregate stability and interrill and rill erodibility is unclear but critical to process-based erosion prediction models. One obvious reason is that it is hard to distinguish between interrill and rill-eroded sediment during the erosion process. This study was designed to partition interrill and rill erosion rates and relates them to the aggregate stability of Ultisols in subtropical China. Six kinds of rare earth element (REE) were applied as tracers mixed with two cultivated soils derived from the Quaternary red clay soil and the shale soil at six slope positions. Soil aggregate stability was determined by the Le Bissonnais (LB)-method. Simulated rainfall with three intensities (60, 90 and 120 mm/h) were applied to a soil plot (2.25 m long, 0.5 m wide, 0.2 m deep) at three slope gradients (10°, 20° and 30°) with duration of 30 min after runoff initiation. The results indicated that interrill and rill erosion increased with increasing rainfall intensity and slope gradient for both types of soil. Rill and interrill erosion rates of the shale soil were much higher than those of the Quaternary red clay soil. Rill erosion contribution enhanced with increasing rainfall intensity and slope gradient for both soils. Percentage of the downslope area erosion to total erosion was the largest, followed by the mid-slope area and then upslope area. Equations using an aggregate stability index As to replace the erodibility factor of interrill and rill erosion in the Water Erosion Prediction Project (WEPP) model were constructed after analyzing the relationships between estimated and measured rill and interrill erosion data. It was shown that these equations based on the stability index, As, have the potential to improve methods for assessing interrill and rill erosion erodibility synchronously for the subtropical Ultisols by using REE tracing method.

Geotechnical engineering for ocean waste disposal. An introduction

USGS Publications Warehouse

Lee, Homa J.; Demars, Kenneth R.; Chaney, Ronald C.; ,

1990-01-01

As members of multidisciplinary teams, geotechnical engineers apply quantitative knowledge about the behavior of earth materials toward designing systems for disposing of wastes in the oceans and monitoring waste disposal sites. In dredge material disposal, geotechnical engineers assist in selecting disposal equipment, predict stable characteristics of dredge mounds, design mound caps, and predict erodibility of the material. In canister disposal, geotechnical engineers assist in specifying canister configurations, predict penetration depths into the seafloor, and predict and monitor canister performance following emplacement. With sewage outfalls, geotechnical engineers design foundation and anchor elements, estimate scour potential around the outfalls, and determine the stability of deposits made up of discharged material. With landfills, geotechnical engineers evaluate the stability and erodibility of margins and estimate settlement and cracking of the landfill mass. Geotechnical engineers also consider the influence that pollutants have on the engineering behavior of marine sediment and the extent to which changes in behavior affect the performance of structures founded on the sediment. In each of these roles, careful application of geotechnical engineering principles can contribute toward more efficient and environmentally safe waste disposal operations.

Simulations of initial MHD experiments on the Madison Dynamo Experiment

NASA Astrophysics Data System (ADS)

O'Connell, R.; Forest, C. B.; Goldwin, J. M.; Kendrick, R. D.; Canary, H. W.; Nornberg, M. D.; Jaun, A.

1999-11-01

Initial experiments for a liquid metal MHD device have been modelled using measurements from geometrically similar water experiments. In the low B limit the water flows are the same as sodium flows. Two codes have been written to predict 1) linear stability of the system and 2) the response of the system to an externally applied vertical magnetic field, using measured velocity profiles. Predictions are made for a first set of MHD experiments, including: a) demonstration of the distortion and amplification of externally applied magnetic fields by sheared flows, b) demonstration of the β-effect by measurement of the turbulent conductivity, c) demonstration of a turbulent α effect and d) characterization of magnetic eigenmodes.

Structure-based approach to the prediction of disulfide bonds in proteins.

PubMed

Salam, Noeris K; Adzhigirey, Matvey; Sherman, Woody; Pearlman, David A

2014-10-01

Protein engineering remains an area of growing importance in pharmaceutical and biotechnology research. Stabilization of a folded protein conformation is a frequent goal in projects that deal with affinity optimization, enzyme design, protein construct design, and reducing the size of functional proteins. Indeed, it can be desirable to assess and improve protein stability in order to avoid liabilities such as aggregation, degradation, and immunogenic response that may arise during development. One way to stabilize a protein is through the introduction of disulfide bonds. Here, we describe a method to predict pairs of protein residues that can be mutated to form a disulfide bond. We combine a physics-based approach that incorporates implicit solvent molecular mechanics with a knowledge-based approach. We first assign relative weights to the terms that comprise our scoring function using a genetic algorithm applied to a set of 75 wild-type structures that each contains a disulfide bond. The method is then tested on a separate set of 13 engineered proteins comprising 15 artificial stabilizing disulfides introduced via site-directed mutagenesis. We find that the native disulfide in the wild-type proteins is scored well, on average (within the top 6% of the reasonable pairs of residues that could form a disulfide bond) while 6 out of the 15 artificial stabilizing disulfides scored within the top 13% of ranked predictions. Overall, this suggests that the physics-based approach presented here can be useful for triaging possible pairs of mutations for disulfide bond formation to improve protein stability. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Model predictive control of P-time event graphs

NASA Astrophysics Data System (ADS)

Hamri, H.; Kara, R.; Amari, S.

2016-12-01

This paper deals with model predictive control of discrete event systems modelled by P-time event graphs. First, the model is obtained by using the dater evolution model written in the standard algebra. Then, for the control law, we used the finite-horizon model predictive control. For the closed-loop control, we used the infinite-horizon model predictive control (IH-MPC). The latter is an approach that calculates static feedback gains which allows the stability of the closed-loop system while respecting the constraints on the control vector. The problem of IH-MPC is formulated as a linear convex programming subject to a linear matrix inequality problem. Finally, the proposed methodology is applied to a transportation system.

Stability analysis of electrical powered wheelchair-mounted robotic-assisted transfer device.

PubMed

Wang, Hongwu; Tsai, Chung-Ying; Jeannis, Hervens; Chung, Cheng-Shiu; Kelleher, Annmarie; Grindle, Garrett G; Cooper, Rory A

2014-01-01

The ability of people with disabilities to live in their homes and communities with maximal independence often hinges, at least in part, on their ability to transfer or be transferred by an assistant. Because of limited resources and the expense of personal care, robotic transfer assistance devices will likely be in great demand. An easy-to-use system for assisting with transfers, attachable to electrical powered wheelchairs (EPWs) and readily transportable, could have a significant positive effect on the quality of life of people with disabilities. We investigated the stability of our newly developed Strong Arm, which is attached and integrated with an EPW to assist with transfers. The stability of the system was analyzed and verified by experiments applying different loads and using different system configurations. The model predicted the distributions of the system's center of mass very well compared with the experimental results. When real transfers were conducted with 50 and 75 kg loads and an 83.25 kg dummy, the current Strong Arm could transfer all weights safely without tip-over. Our modeling accurately predicts the stability of the system and is suitable for developing better control algorithms to enhance the safety of the device.

Numerical study on the Welander oscillatory natural circulation problem using high-order numerical methods

DOE PAGES

Zou, Ling; Zhao, Haihua; Kim, Seung Jun

2016-11-16

In this study, the classical Welander’s oscillatory natural circulation problem is investigated using high-order numerical methods. As originally studied by Welander, the fluid motion in a differentially heated fluid loop can exhibit stable, weakly instable, and strongly instable modes. A theoretical stability map has also been originally derived from the stability analysis. Numerical results obtained in this paper show very good agreement with Welander’s theoretical derivations. For stable cases, numerical results from both the high-order and low-order numerical methods agree well with the non-dimensional flow rate analytically derived. The high-order numerical methods give much less numerical errors compared to themore » low-order methods. For stability analysis, the high-order numerical methods could perfectly predict the stability map, while the low-order numerical methods failed to do so. For all theoretically unstable cases, the low-order methods predicted them to be stable. The result obtained in this paper is a strong evidence to show the benefits of using high-order numerical methods over the low-order ones, when they are applied to simulate natural circulation phenomenon that has already gain increasing interests in many future nuclear reactor designs.« less

Using metal-ligand binding characteristics to predict metal toxicity: quantitative ion character-activity relationships (QICARs).

PubMed Central

Newman, M C; McCloskey, J T; Tatara, C P

1998-01-01

Ecological risk assessment can be enhanced with predictive models for metal toxicity. Modelings of published data were done under the simplifying assumption that intermetal trends in toxicity reflect relative metal-ligand complex stabilities. This idea has been invoked successfully since 1904 but has yet to be applied widely in quantitative ecotoxicology. Intermetal trends in toxicity were successfully modeled with ion characteristics reflecting metal binding to ligands for a wide range of effects. Most models were useful for predictive purposes based on an F-ratio criterion and cross-validation, but anomalous predictions did occur if speciation was ignored. In general, models for metals with the same valence (i.e., divalent metals) were better than those combining mono-, di-, and trivalent metals. The softness parameter (sigma p) and the absolute value of the log of the first hydrolysis constant ([symbol: see text] log KOH [symbol: see text]) were especially useful in model construction. Also, delta E0 contributed substantially to several of the two-variable models. In contrast, quantitative attempts to predict metal interactions in binary mixtures based on metal-ligand complex stabilities were not successful. PMID:9860900

Predicting the Influence of Nano-Scale Material Structure on the In-Plane Buckling of Orthotropic Plates

NASA Technical Reports Server (NTRS)

Gates, Thomas S.; Odegard, Gregory M.; Nemeth, Michael P.; Frankland, Sarah-Jane V.

2004-01-01

A multi-scale analysis of the structural stability of a carbon nanotube-polymer composite material is developed. The influence of intrinsic molecular structure, such as nanotube length, volume fraction, orientation and chemical functionalization, is investigated by assessing the relative change in critical, in-plane buckling loads. The analysis method relies on elastic properties predicted using the hierarchical, constitutive equations developed from the equivalent-continuum modeling technique applied to the buckling analysis of an orthotropic plate. The results indicate that for the specific composite materials considered in this study, a composite with randomly orientated carbon nanotubes consistently provides the highest values of critical buckling load and that for low volume fraction composites, the non-functionalized nanotube material provides an increase in critical buckling stability with respect to the functionalized system.

Global growth and stability of agricultural yield decrease with pollinator dependence

PubMed Central

Garibaldi, Lucas A.; Aizen, Marcelo A.; Klein, Alexandra M.; Cunningham, Saul A.; Harder, Lawrence D.

2011-01-01

Human welfare depends on the amount and stability of agricultural production, as determined by crop yield and cultivated area. Yield increases asymptotically with the resources provided by farmers’ inputs and environmentally sensitive ecosystem services. Declining yield growth with increased inputs prompts conversion of more land to cultivation, but at the risk of eroding ecosystem services. To explore the interdependence of agricultural production and its stability on ecosystem services, we present and test a general graphical model, based on Jensen's inequality, of yield–resource relations and consider implications for land conversion. For the case of animal pollination as a resource influencing crop yield, this model predicts that incomplete and variable pollen delivery reduces yield mean and stability (inverse of variability) more for crops with greater dependence on pollinators. Data collected by the Food and Agriculture Organization of the United Nations during 1961–2008 support these predictions. Specifically, crops with greater pollinator dependence had lower mean and stability in relative yield and yield growth, despite global yield increases for most crops. Lower yield growth was compensated by increased land cultivation to enhance production of pollinator-dependent crops. Area stability also decreased with pollinator dependence, as it correlated positively with yield stability among crops. These results reveal that pollen limitation hinders yield growth of pollinator-dependent crops, decreasing temporal stability of global agricultural production, while promoting compensatory land conversion to agriculture. Although we examined crop pollination, our model applies to other ecosystem services for which the benefits to human welfare decelerate as the maximum is approached. PMID:21422295

Stability of phases of a square-well fluid within superposition approximation

NASA Astrophysics Data System (ADS)

Piasecki, Jarosław; Szymczak, Piotr; Kozak, John J.

2013-04-01

The analytic and numerical methods introduced previously to study the phase behavior of hard sphere fluids starting from the Yvon-Born-Green (YBG) equation under the Kirkwood superposition approximation (KSA) are adapted to the square-well fluid. We are able to show conclusively that the YBG equation under the KSA closure when applied to the square-well fluid: (i) predicts the existence of an absolute stability limit corresponding to freezing where undamped oscillations appear in the long-distance behavior of correlations, (ii) in accordance with earlier studies reveals the existence of a liquid-vapor transition by the appearance of a "near-critical region" where monotonically decaying correlations acquire very long range, although the system never loses stability.

Flight-determined stability analysis of multiple-input-multiple-output control systems

NASA Technical Reports Server (NTRS)

Burken, John J.

1992-01-01

Singular value analysis can give conservative stability margin results. Applying structure to the uncertainty can reduce this conservatism. This paper presents flight-determined stability margins for the X-29A lateral-directional, multiloop control system. These margins are compared with the predicted unscaled singular values and scaled structured singular values. The algorithm was further evaluated with flight data by changing the roll-rate-to-aileron command-feedback gain by +/- 20 percent. Minimum eigenvalues of the return difference matrix which bound the singular values are also presented. Extracting multiloop singular values from flight data and analyzing the feedback gain variations validates this technique as a measure of robustness. This analysis can be used for near-real-time flight monitoring and safety testing.

Flight-determined stability analysis of multiple-input-multiple-output control systems

NASA Technical Reports Server (NTRS)

Burken, John J.

1992-01-01

Singular value analysis can give conservative stability margin results. Applying structure to the uncertainty can reduce this conservatism. This paper presents flight-determined stability margins for the X-29A lateral-directional, multiloop control system. These margins are compared with the predicted unscaled singular values and scaled structured singular values. The algorithm was further evaluated with flight data by changing the roll-rate-to-aileron-command-feedback gain by +/- 20 percent. Also presented are the minimum eigenvalues of the return difference matrix which bound the singular values. Extracting multiloop singular values from flight data and analyzing the feedback gain variations validates this technique as a measure of robustness. This analysis can be used for near-real-time flight monitoring and safety testing.

Development and application of a time-history analysis for rotorcraft dynamics based on a component approach

NASA Technical Reports Server (NTRS)

Sopher, R.; Hallock, D. W.

1985-01-01

A time history analysis for rotorcraft dynamics based on dynamical substructures, and nonstructural mathematical and aerodynamic components is described. The analysis is applied to predict helicopter ground resonance and response to rotor damage. Other applications illustrate the stability and steady vibratory response of stopped and gimballed rotors, representative of new technology. Desirable attributes expected from modern codes are realized, although the analysis does not employ a complete set of techniques identified for advanced software. The analysis is able to handle a comprehensive set of steady state and stability problems with a small library of components.

Multi-Dimensional Shallow Landslide Stability Analysis Suitable for Application at the Watershed Scale

NASA Astrophysics Data System (ADS)

Milledge, D.; Bellugi, D.; McKean, J. A.; Dietrich, W.

2012-12-01

The infinite slope model is the basis for almost all watershed scale slope stability models. However, it assumes that a potential landslide is infinitely long and wide. As a result, it cannot represent resistance at the margins of a potential landslide (e.g. from lateral roots), and is unable to predict the size of a potential landslide. Existing three-dimensional models generally require computationally expensive numerical solutions and have previously been applied only at the hillslope scale. Here we derive an alternative analytical treatment that accounts for lateral resistance by representing the forces acting on each margin of an unstable block. We apply 'at rest' earth pressure on the lateral sides, and 'active' and 'passive' pressure using a log-spiral method on the upslope and downslope margins. We represent root reinforcement on each margin assuming that root cohesion is an exponential function of soil depth. We benchmark this treatment against other more complete approaches (Finite Element (FE) and closed form solutions) and find that our model: 1) converges on the infinite slope predictions as length / depth and width / depth ratios become large; 2) agrees with the predictions from state-of-the-art FE models to within +/- 30% error, for the specific cases in which these can be applied. We then test our model's ability to predict failure of an actual (mapped) landslide where the relevant parameters are relatively well constrained. We find that our model predicts failure at the observed location with a nearly identical shape and predicts that larger or smaller shapes conformal to the observed shape are indeed more stable. Finally, we perform a sensitivity analysis using our model to show that lateral reinforcement sets a minimum landslide size, while the additional strength at the downslope boundary means that the optimum shape for a given size is longer in a downslope direction. However, reinforcement effects cannot fully explain the size or shape distributions of observed landslides, highlighting the importance of spatial patterns of key parameters (e.g. pore water pressure) and motivating the model's watershed scale application. This watershed scale application requires an efficient method to find the least stable shapes among an almost infinite set. However, when applied in this context, it allows a more complete examination of the controls on landslide size, shape and location.

Integration of a supersonic unsteady aerodynamic code into the NASA FASTEX system

NASA Technical Reports Server (NTRS)

Appa, Kari; Smith, Michael J. C.

1987-01-01

A supersonic unsteady aerodynamic loads prediction method based on the constant pressure method was integrated into the NASA FASTEX system. The updated FASTEX code can be employed for aeroelastic analyses in subsonic and supersonic flow regimes. A brief description of the supersonic constant pressure panel method, as applied to lifting surfaces and body configurations, is followed by a documentation of updates required to incorporate this method in the FASTEX code. Test cases showing correlations of predicted pressure distributions, flutter solutions, and stability derivatives with available data are reported.

Regional variability of slope stability: Application to the Eel margin, California

USGS Publications Warehouse

Lee, H.; Locat, J.; Dartnell, P.; Israel, K.; Florence, Wong

1999-01-01

Relative values of downslope driving forces and sediment resisting forces determine the locations of submarine slope failures. Both of these vary regionally, and their impact can be addressed when the data are organized in a Geographic Information System (GIS). The study area on the continental margin near the Eel River provides an excellent opportunity to apply GIS spatial analysis techniques for evaluation of slope stability. In this area, swath bathymetric mapping shows seafloor morphology and distribution of slope steepness in fine detail, and sediment analysis of over 70 box cores delineates the variability of sediment density near the seafloor surface. Based on the results of ten geotechnical studies of submarine study areas, we developed an algorithm that relates surface sediment density to the shear strength appropriate to the type of cyclic loading produced by an earthquake. Strength and stress normalization procedures provide results that are conceptually independent of subbottom depth. Results at depth are rigorously applicable if sediment lithology does not vary significantly and consolidation state can be estimated. Otherwise, the method applies only to shallow-seated slope failure. Regional density, slope, and level of anticipated seismic shaking information were combined in a GIS framework to yield a map that illustrates the relative stability of slopes in the face of seismically induced failure. When a measure of predicted relative slope stability is draped on an oblique view of swath bathymetry, a variation in this slope stability is observed on an otherwise smooth slope along the mid-slope region north of a plunging anticline. The section of slope containing diffuse, pockmarked gullies has a lower measure of stability than a separate section containing gullies that have sharper boundaries and somewhat steeper sides. Such an association suggests that our slope-stability analysis relates to the stability of the gully sides. The remainder of the study area shows few obvious indications of slope instability except for a feature that has become known as the 'Humboldt Slide,' but it is too deep-seated to be amenable to the slope-stability-prediction techniques presented herein. In general, few slope failures have been mapped in the Eel margin study area despite the high level of seismicity, the relatively high rates of sediment accumulation, and the extent of gas charging observed by others.

The roles of ecological first principles and evolutionary contingency in unraveling ecosystem response and reconstruction during the Permian-Triassic transition.

NASA Astrophysics Data System (ADS)

Roopnarine, P. D.; Weik, A.; Dineen, A.; Angielczyk, K.

2016-12-01

The Permian-Triassic mass extinction (PTME) is the most severe mass extinction recorded in Earth's history. Effects on the biosphere were complicated and often contradictory, e.g. selective species extinctions and exceptional species survival; prolonged miniaturization of some Early Triassic clades but rapid increases of size in others; and both simplified and complex trophic structures in various E. Triassic ecosystems. Here we present the results of a new generalized model of paleocommunity global stability (number of species capable of persistent coexistence in the absence of external perturbation), suggesting that community dynamics in response to species extinction, and the addition of new species in the aftermath of the PTME, is best understood as a complex outcome of predictable community dynamics and contingent, unpredictable evolutionary pathways. We applied the model to the best known PTME transitional terrestrial ecosystem, the Karoo Basin of South Africa. The model verifies previous claims that global stability scales negatively with increasing species richness and the strength of interspecific interactions. We also show that global stability scales negatively with intrinsic population growth rates. Taxon-rich Permian communities could therefore have persisted only under a restricted range of those parameters. Communities during three phases of the PTME, however, exhibited greater global stability than would be predicted from the pre-PTME communities. Those communities could therefore have maintained relative stabilities under a broader range of parameters, implying that species could have adapted by modifying life history and ecological traits with lesser negative consequences to community stability. The earliest post-PTME community with increased species richness, however, was less stable than would be predicted from pre-PTME communities. In both the extinction and aftermath communities, nonlinear deviations from the general scaling of stability result from structural features unique to those communities, perhaps limiting our ability to forecast biospheric responses to extreme perturbations.

Robust enzyme design: bioinformatic tools for improved protein stability.

PubMed

Suplatov, Dmitry; Voevodin, Vladimir; Švedas, Vytas

2015-03-01

The ability of proteins and enzymes to maintain a functionally active conformation under adverse environmental conditions is an important feature of biocatalysts, vaccines, and biopharmaceutical proteins. From an evolutionary perspective, robust stability of proteins improves their biological fitness and allows for further optimization. Viewed from an industrial perspective, enzyme stability is crucial for the practical application of enzymes under the required reaction conditions. In this review, we analyze bioinformatic-driven strategies that are used to predict structural changes that can be applied to wild type proteins in order to produce more stable variants. The most commonly employed techniques can be classified into stochastic approaches, empirical or systematic rational design strategies, and design of chimeric proteins. We conclude that bioinformatic analysis can be efficiently used to study large protein superfamilies systematically as well as to predict particular structural changes which increase enzyme stability. Evolution has created a diversity of protein properties that are encoded in genomic sequences and structural data. Bioinformatics has the power to uncover this evolutionary code and provide a reproducible selection of hotspots - key residues to be mutated in order to produce more stable and functionally diverse proteins and enzymes. Further development of systematic bioinformatic procedures is needed to organize and analyze sequences and structures of proteins within large superfamilies and to link them to function, as well as to provide knowledge-based predictions for experimental evaluation. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of thermal diffusion on the stability of strongly tilted mantle plume tails

NASA Astrophysics Data System (ADS)

Kerr, R. C.; MéRiaux, C.; Lister, J. R.

2008-09-01

The effect of thermal diffusion on the stability of strongly tilted mantle plume tails is explored by investigating experimentally and numerically the gravitational instability of a rising horizontal cylindrical region of buoyant viscous fluid. At large viscosity ratios, we find that the instability is unaffected by diffusion when the Rayleigh number Ra is greater than about 300. When Ra is less than 300, diffusion significantly increases the time for instability, as the rising fluid region needs to grow substantially by entrainment before it becomes unstable. When Ra is less than about 140 and the rise height available H is less than about 40 times the cylinder radius, the rising region of fluid is unable to grow sufficiently and instability is prevented. When our results are applied to the Earth, we predict that thermal diffusion will stabilize plume tails in both the upper and lower mantle. We also predict that some of the buoyancy flux in mantle plumes is lost during ascent to form downstream thermal wakes in any larger-scale mantle flow.

Metrics that differentiate the origins of osmolyte effects on protein stability: a test of the surface tension proposal.

PubMed

Auton, Matthew; Ferreon, Allan Chris M; Bolen, D Wayne

2006-09-01

Osmolytes that are naturally selected to protect organisms against environmental stresses are known to confer stability to proteins via preferential exclusion from protein surfaces. Solvophobicity, surface tension, excluded volume, water structure changes and electrostatic repulsion are all examples of forces proposed to account for preferential exclusion and the ramifications exclusion has on protein properties. What has been lacking is a systematic way of determining which force(s) is(are) responsible for osmolyte effects. Here, we propose the use of two experimental metrics for assessing the abilities of various proposed forces to account for osmolyte-mediated effects on protein properties. Metric 1 requires prediction of the experimentally determined ability of the osmolyte to bring about folding/unfolding resulting from the application of the force in question (i.e. prediction of the m-value of the protein in osmolyte). Metric 2 requires prediction of the experimentally determined ability of the osmolyte to contract or expand the Stokes radius of the denatured state resulting from the application of the force. These metrics are applied to test separate claims that solvophobicity/solvophilicity and surface tension are driving forces for osmolyte-induced effects on protein stability. The results show clearly that solvophobic/solvophilic forces readily account for protein stability and denatured state dimensional effects, while surface tension alone fails to do so. The agreement between experimental and predicted m-values involves both positive and negative m-values for three different proteins, and as many as six different osmolytes, illustrating that the tests are robust and discriminating. The ability of the two metrics to distinguish which forces account for the effects of osmolytes on protein properties and which do not, provides a powerful means of investigating the origins of osmolyte-protein effects.

Individual Sawtooth Pacing by Synchronized ECCD in TCV

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

Goodman, T. P.; Felici, F.; Canal, G.

2011-12-23

Previous real-time sawtooth control scenarios using EC actuators have attempted to shorten or lengthen the sawtooth period by optimally positioning the EC absorption near the q = 1 surface. In new experiments we demonstrate for the first time that individual sawtooth crashes can be repetitively induced at predictable times by reducing the stabilizing ECCD power after a predetermined time from the preceding crash. Other stabilizing actuators (e.g. ICRF, NBI) are expected to produce similar effects. Armed with these results, we present a new sawtooth / NTM control paradigm for improved performance in burning plasmas. The potential appearance of neo-classical tearingmore » modes, triggered by long period sawtooth crashes even at low beta, becomes predictable and therefore amenable to preemptive ECCD. The ITER Electron Cyclotron Upper Launcher (EC-UL) design incorporates the needed functionalities for this method to be applied. The methodology and associated TCV experiments will be presented.« less

Vehicle lift-off modelling and a new rollover detection criterion

NASA Astrophysics Data System (ADS)

Mashadi, Behrooz; Mostaghimi, Hamid

2017-05-01

The modelling and development of a general criterion for the prediction of rollover threshold is the main purpose of this work. Vehicle dynamics models after the wheels lift-off and when the vehicle moves on the two wheels are derived and the governing equations are used to develop the rollover threshold. These models include the properties of the suspension and steering systems. In order to study the stability of motion, the steady-state solutions of the equations of motion are carried out. Based on the stability analyses, a new relation is obtained for the rollover threshold in terms of measurable response parameters. The presented criterion predicts the best time for the prevention of the vehicle rollover by applying a correcting moment. It is shown that the introduced threshold of vehicle rollover is a proper state of vehicle motion that is best for stabilising the vehicle with a low energy requirement.

Automated selection of stabilizing mutations in designed and natural proteins.

PubMed

Borgo, Benjamin; Havranek, James J

2012-01-31

The ability to engineer novel protein folds, conformations, and enzymatic activities offers enormous potential for the development of new protein therapeutics and biocatalysts. However, many de novo and redesigned proteins exhibit poor hydrophobic packing in their predicted structures, leading to instability or insolubility. The general utility of rational, structure-based design would greatly benefit from an improved ability to generate well-packed conformations. Here we present an automated protocol within the RosettaDesign framework that can identify and improve poorly packed protein cores by selecting a series of stabilizing point mutations. We apply our method to previously characterized designed proteins that exhibited a decrease in stability after a full computational redesign. We further demonstrate the ability of our method to improve the thermostability of a well-behaved native protein. In each instance, biophysical characterization reveals that we were able to stabilize the original proteins against chemical and thermal denaturation. We believe our method will be a valuable tool for both improving upon designed proteins and conferring increased stability upon native proteins.

Automated selection of stabilizing mutations in designed and natural proteins

PubMed Central

Borgo, Benjamin; Havranek, James J.

2012-01-01

The ability to engineer novel protein folds, conformations, and enzymatic activities offers enormous potential for the development of new protein therapeutics and biocatalysts. However, many de novo and redesigned proteins exhibit poor hydrophobic packing in their predicted structures, leading to instability or insolubility. The general utility of rational, structure-based design would greatly benefit from an improved ability to generate well-packed conformations. Here we present an automated protocol within the RosettaDesign framework that can identify and improve poorly packed protein cores by selecting a series of stabilizing point mutations. We apply our method to previously characterized designed proteins that exhibited a decrease in stability after a full computational redesign. We further demonstrate the ability of our method to improve the thermostability of a well-behaved native protein. In each instance, biophysical characterization reveals that we were able to stabilize the original proteins against chemical and thermal denaturation. We believe our method will be a valuable tool for both improving upon designed proteins and conferring increased stability upon native proteins. PMID:22307603

A model of neuro-musculo-skeletal system for human locomotion under position constraint condition.

PubMed

Ni, Jiangsheng; Hiramatsu, Seiji; Kato, Atsuo

2003-08-01

The human locomotion was studied on the basis of the interaction of the musculo-skeletal system, the neural system and the environment. A mathematical model of human locomotion under position constraint condition was established. Besides the neural rhythm generator, the posture controller and the sensory system, the environment feedback controller and the stability controller were taken into account in the model. The environment feedback controller was proposed for two purposes, obstacle avoidance and target position control of the swing foot. The stability controller was proposed to imitate the self-balancing ability of a human body and improve the stability of the model. In the stability controller, the ankle torque was used to control the velocity of the body gravity center. A prediction control algorithm was applied to calculate the torque magnitude of the stability controller. As an example, human stairs climbing movement was simulated and the results were given. The simulation result proved that the mathematical modeling of the task was successful.

Hydrophobic environment is a key factor for the stability of thermophilic proteins.

PubMed

Gromiha, M Michael; Pathak, Manish C; Saraboji, Kadhirvel; Ortlund, Eric A; Gaucher, Eric A

2013-04-01

The stability of thermophilic proteins has been viewed from different perspectives and there is yet no unified principle to understand this stability. It would be valuable to reveal the most important interactions for designing thermostable proteins for such applications as industrial protein engineering. In this work, we have systematically analyzed the importance of various interactions by computing different parameters such as surrounding hydrophobicity, inter-residue interactions, ion-pairs and hydrogen bonds. The importance of each interaction has been determined by its predicted relative contribution in thermophiles versus the same contribution in mesophilic homologues based on a dataset of 373 protein families. We predict that hydrophobic environment is the major factor for the stability of thermophilic proteins and found that 80% of thermophilic proteins analyzed showed higher hydrophobicity than their mesophilic counterparts. Ion pairs, hydrogen bonds, and interaction energy are also important and favored in 68%, 50%, and 62% of thermophilic proteins, respectively. Interestingly, thermophilic proteins with decreased hydrophobic environments display a greater number of hydrogen bonds and/or ion pairs. The systematic elimination of mesophilic proteins based on surrounding hydrophobicity, interaction energy, and ion pairs/hydrogen bonds, led to correctly identifying 95% of the thermophilic proteins in our analyses. Our analysis was also applied to another, more refined set of 102 thermophilic-mesophilic pairs, which again identified hydrophobicity as a dominant property in 71% of the thermophilic proteins. Further, the notion of surrounding hydrophobicity, which characterizes the hydrophobic behavior of residues in a protein environment, has been applied to the three-dimensional structures of elongation factor-Tu proteins and we found that the thermophilic proteins are enriched with a hydrophobic environment. The results obtained in this work highlight the importance of hydrophobicity as the dominating characteristic in the stability of thermophilic proteins, and we anticipate this will be useful in our attempts to engineering thermostable proteins. Copyright © 2013 Wiley Periodicals, Inc.

Reduced critical rotation for resistive-wall mode stabilization in a near-axisymmetric configuration.

PubMed

Reimerdes, H; Garofalo, A M; Jackson, G L; Okabayashi, M; Strait, E J; Chu, M S; In, Y; La Haye, R J; Lanctot, M J; Liu, Y Q; Navratil, G A; Solomon, W M; Takahashi, H; Groebner, R J

2007-02-02

Recent DIII-D experiments with reduced neutral beam torque and minimum nonaxisymmetric perturbations of the magnetic field show a significant reduction of the toroidal plasma rotation required for the stabilization of the resistive-wall mode (RWM) below the threshold values observed in experiments that apply nonaxisymmetric magnetic fields to slow the plasma rotation. A toroidal rotation frequency of less than 10 krad/s at the q=2 surface (measured with charge exchange recombination spectroscopy using C VI) corresponding to 0.3% of the inverse of the toroidal Alfvén time is sufficient to sustain the plasma pressure above the ideal MHD no-wall stability limit. The low-rotation threshold is found to be consistent with predictions by a kinetic model of RWM damping.

Engineered promoters enable constant gene expression at any copy number in bacteria.

PubMed

Segall-Shapiro, Thomas H; Sontag, Eduardo D; Voigt, Christopher A

2018-04-01

The internal environment of growing cells is variable and dynamic, making it difficult to introduce reliable parts, such as promoters, for genetic engineering. Here, we applied control-theoretic ideas to design promoters that maintained constant levels of expression at any copy number. Theory predicts that independence to copy number can be achieved by using an incoherent feedforward loop (iFFL) if the negative regulation is perfectly non-cooperative. We engineered iFFLs into Escherichia coli promoters using transcription-activator-like effectors (TALEs). These promoters had near-identical expression in different genome locations and plasmids, even when their copy number was perturbed by genomic mutations or changes in growth medium composition. We applied the stabilized promoters to show that a three-gene metabolic pathway to produce deoxychromoviridans could retain function without re-tuning when the stabilized-promoter-driven genes were moved from a plasmid into the genome.

A Physics-Based Temperature Stabilization Criterion for Thermal Testing

NASA Technical Reports Server (NTRS)

Rickman, Steven L.; Ungar, Eugene K.

2009-01-01

Spacecraft testing specifications differ greatly in the criteria they specify for stability in thermal balance tests. Some specify a required temperature stabilization rate (the change in temperature per unit time, dT/dt), some specify that the final steady-state temperature be approached to within a specified difference, delta T , and some specify a combination of the two. The particular values for temperature stabilization rate and final temperature difference also vary greatly between specification documents. A one-size-fits-all temperature stabilization rate requirement does not yield consistent results for all test configurations because of differences in thermal mass and heat transfer to the environment. Applying a steady-state temperature difference requirement is problematic because the final test temperature is not accurately known a priori, especially for powered configurations. In the present work, a simplified, lumped-mass analysis has been used to explore the applicability of these criteria. A new, user-friendly, physics-based approach is developed that allows the thermal engineer to determine when an acceptable level of temperature stabilization has been achieved. The stabilization criterion can be predicted pre-test but must be refined during test to allow verification that the defined level of temperature stabilization has been achieved.

FireProt: Energy- and Evolution-Based Computational Design of Thermostable Multiple-Point Mutants.

PubMed

Bednar, David; Beerens, Koen; Sebestova, Eva; Bendl, Jaroslav; Khare, Sagar; Chaloupkova, Radka; Prokop, Zbynek; Brezovsky, Jan; Baker, David; Damborsky, Jiri

2015-11-01

There is great interest in increasing proteins' stability to enhance their utility as biocatalysts, therapeutics, diagnostics and nanomaterials. Directed evolution is a powerful, but experimentally strenuous approach. Computational methods offer attractive alternatives. However, due to the limited reliability of predictions and potentially antagonistic effects of substitutions, only single-point mutations are usually predicted in silico, experimentally verified and then recombined in multiple-point mutants. Thus, substantial screening is still required. Here we present FireProt, a robust computational strategy for predicting highly stable multiple-point mutants that combines energy- and evolution-based approaches with smart filtering to identify additive stabilizing mutations. FireProt's reliability and applicability was demonstrated by validating its predictions against 656 mutations from the ProTherm database. We demonstrate that thermostability of the model enzymes haloalkane dehalogenase DhaA and γ-hexachlorocyclohexane dehydrochlorinase LinA can be substantially increased (ΔTm = 24°C and 21°C) by constructing and characterizing only a handful of multiple-point mutants. FireProt can be applied to any protein for which a tertiary structure and homologous sequences are available, and will facilitate the rapid development of robust proteins for biomedical and biotechnological applications.

Unsteady Aerodynamic Response of a Linear Cascade of Airfoils in Separated Flow

NASA Technical Reports Server (NTRS)

Capece, Vincent R.; Ford, Christopher; Bone, Christopher; Li, Rui

2004-01-01

The overall objective of this research program was to investigate methods to modify the leading edge separation region, which could lead to an improvement in aeroelastic stability of advanced airfoil designs. The airfoil section used is representative of current low aspect ratio fan blade tip sections. The experimental potion of this study investigated separated zone boundary layer from removal through suction slots. Suction applied to a cavity in the vicinity of the separation onset point was found to be the most effective location. The computational study looked into the influence of front camber on flutter stability. To assess the influence of the change in airfoil shape on stability the work-per-cycle was evaluated for torsion mode oscillations. It was shown that the front camberline shape can be an important factor for stabilizing the predicted work-per-cycle and reducing the predicted extent of the separation zone. In addition, data analysis procedures are discussed for reducing data acquired in experiments that involve periodic unsteady data. This work was conducted in support of experiments being conducted in the NASA Glenn Research Center Transonic Flutter Cascade. The spectral block averaging method is presented. This method is shown to be able to account for variations in airfoil oscillation frequency that can occur in experiments that force oscillate the airfoils to simulate flutter.

The Linear Interaction Energy Method for the Prediction of Protein Stability Changes Upon Mutation

PubMed Central

Wickstrom, Lauren; Gallicchio, Emilio; Levy, Ronald M.

2011-01-01

The coupling of protein energetics and sequence changes is a critical aspect of computational protein design, as well as for the understanding of protein evolution, human disease, and drug resistance. In order to study the molecular basis for this coupling, computational tools must be sufficiently accurate and computationally inexpensive enough to handle large amounts of sequence data. We have developed a computational approach based on the linear interaction energy (LIE) approximation to predict the changes in the free energy of the native state induced by a single mutation. This approach was applied to a set of 822 mutations in 10 proteins which resulted in an average unsigned error of 0.82 kcal/mol and a correlation coefficient of 0.72 between the calculated and experimental ΔΔG values. The method is able to accurately identify destabilizing hot spot mutations however it has difficulty in distinguishing between stabilizing and destabilizing mutations due to the distribution of stability changes for the set of mutations used to parameterize the model. In addition, the model also performs quite well in initial tests on a small set of double mutations. Based on these promising results, we can begin to examine the relationship between protein stability and fitness, correlated mutations, and drug resistance. PMID:22038697

Modeling the formation of iron sulfide scales using thermodynamic simulation software

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

Anderko, A.; Shuler, P.J.

1998-12-31

A program has been developed for generating stability diagrams that concisely represent the thermodynamic state of multicomponent, multiphase aqueous systems in wide ranges of temperature and component concentrations. The diagrams are based on a thermodynamic model that combines the Helgeson-Kirkham-Flowers equation of state for standard-state properties with a solutions nonideality model based on the activity coefficient expressions developed by Bromley and Pitzer. The diagrams offer a flexible choice of independent variables, which include component concentrations in addition to the potential and pH. The stability diagrams are used to predict the conditions that favor the formation of stable and metastable ironmore » sulfide species, which are commonly deposited under oil field-related conditions. First, the diagrams have been applied to establish a sequence of transformations that iron sulfides undergo as they age. The predicted transformation sequences take into account environmental variables (e.g., hydrogen sulfide concentration, oxygen availability, etc.). The predictions are in agreement with experimental data on iron sulfide formation at the iron/solution interface and in bulk solution. The understanding of iron sulfide transformation sequences makes it possible to simulate experimental studies of H{sub 2}S/CO{sub 2} corrosion in the presence or absence of oxygen. A comparison with laboratory corrosion rate data under gas pipeline conditions indicates that the magnitude of corrosion rates can be correlated with the predicted stability of metastable iron sulfide phases.« less

A comprehensive model to determine the effects of temperature and species fluctuations on reaction rates in turbulent reaction flows

NASA Technical Reports Server (NTRS)

Magnotti, F.; Diskin, G.; Matulaitis, J.; Chinitz, W.

1984-01-01

The use of silane (SiH4) as an effective ignitor and flame stabilizing pilot fuel is well documented. A reliable chemical kinetic mechanism for prediction of its behavior at the conditions encountered in the combustor of a SCRAMJET engine was calculated. The effects of hydrogen addition on hydrocarbon ignition and flame stabilization as a means for reduction of lengthy ignition delays and reaction times were studied. The ranges of applicability of chemical kinetic models of hydrogen-air combustors were also investigated. The CHARNAL computer code was applied to the turbulent reaction rate modeling.

Nonlinear Combustion Instability Prediction

NASA Technical Reports Server (NTRS)

Flandro, Gary

2010-01-01

The liquid rocket engine stability prediction software (LCI) predicts combustion stability of systems using LOX-LH2 propellants. Both longitudinal and transverse mode stability characteristics are calculated. This software has the unique feature of being able to predict system limit amplitude.

Nuclear Deterrence. Applications of Elementary Probability to International Relations. Modules and Monographs in Undergraduate Mathematics and Its Applications Project. UMAP Unit 327.

ERIC Educational Resources Information Center

Smith, Harvey A.

This module is designed to apply mathematical models to nuclear deterrent problems, and to aid users in developing enlightened skepticism about the use of linear models in stability analyses and long-term predictions. An attempt is made at avoiding overwhelming complexities through concentration on land-based missile forces. It is noted that after…

A chemical reactor network for oxides of nitrogen emission prediction in gas turbine combustor

NASA Astrophysics Data System (ADS)

Hao, Nguyen Thanh

2014-06-01

This study presents the use of a new chemical reactor network (CRN) model and non-uniform injectors to predict the NOx emission pollutant in gas turbine combustor. The CRN uses information from Computational Fluid Dynamics (CFD) combustion analysis with two injectors of CH4-air mixture. The injectors of CH4-air mixture have different lean equivalence ratio, and they control fuel flow to stabilize combustion and adjust combustor's equivalence ratio. Non-uniform injector is applied to improve the burning process of the turbine combustor. The results of the new CRN for NOx prediction in the gas turbine combustor show very good agreement with the experimental data from Korea Electric Power Research Institute.

Experimental constraints on CO2 and H2O in the Martian mantle and primary magmas

NASA Technical Reports Server (NTRS)

Holloway, John R.; Domanik, Kenneth J.; Cocheo, Peter A.

1993-01-01

We present new data on the stability of hornblende in a Martian mantle composition, on CO2 solubility in iron-rich basaltic magmas, and on the solubility of H2O in an alkalic basaltic magma. These new data are combined with a summary of data from the literature to present a summary of the current state of our estimates of solubilities of H2O and CO2 in probable Martian magmas and the stability of hornblende in a slightly hydrous mantle. The new results suggest that hornblende stability is not sensitive to the Mg/(Mg+Fe) ratio (mg#) of the mantle, that is the results for terrestrial mantle compositions are similar to the more iron-rich Martian composition. Likewise, CO2 solubility in iron-rich tholeiitic basaltic magmas is similar to iron-poor terrestrial compositions. The solubility of H2O has been measured in an alkalic basaltic (basanite) composition for the first time, and it is significantly lower than predicted for models of water solubility in magmas. The lack of mg# dependence observed in hornblende stability and on CO2 solubility that in many cases terrestrial results can be applied to Martian compositions. This conclusion does not apply to other phenomena such as primary magma compositions and major mantle mineral mineralogy.

Escalated conflict in a social hierarchy

PubMed Central

Cant, M.A; English, S; Reeve, H.K; Field, J

2006-01-01

Animals that live in cooperative societies form hierarchies in which dominant individuals reap disproportionate benefits from group cooperation. The stability of these societies requires subordinates to accept their inferior status rather than engage in escalated conflict with dominants over rank. Applying the logic of animal contests to these cases predicts that escalated conflict is more likely where subordinates are reproductively suppressed, where group productivity is high, relatedness is low, and where subordinates are relatively strong. We tested these four predictions in the field on co-foundress associations of the paper wasp Polistes dominulus by inducing contests over dominance rank experimentally. Subordinates with lower levels of ovarian development, and those in larger, more productive groups, were more likely to escalate in conflict with their dominant, as predicted. Neither genetic relatedness nor relative body size had significant effects on the probability of escalation. The original dominant emerged as the winner in all except one escalated contest. The results provide the first evidence that reproductive suppression of subordinates increases the threat of escalated conflict, and hence that reproductive sharing can promote stability of the dominant–subordinate relationship. PMID:17015353

Longitudinal aerodynamic characteristics of light, twin-engine, propeller-driven airplanes

NASA Technical Reports Server (NTRS)

Wolowicz, C. H.; Yancey, R. B.

1972-01-01

Representative state-of-the-art analytical procedures and design data for predicting the longitudinal static and dynamic stability and control characteristics of light, propeller-driven airplanes are presented. Procedures for predicting drag characteristics are also included. The procedures are applied to a twin-engine, propeller-driven airplane in the clean configuration from zero lift to stall conditions. The calculated characteristics are compared with wind-tunnel and flight data. Included in the comparisons are level-flight trim characteristics, period and damping of the short-period oscillatory mode, and windup-turn characteristics. All calculations are documented.

Prediction of field emitter cathode lifetime based on measurement of I- V curves

NASA Astrophysics Data System (ADS)

Bormashov, V. S.; Nikolski, K. N.; Baturin, A. S.; Sheshin, E. P.

2003-06-01

A technique is presented, which allows the prediction of field emitter cathode lifetime without long-term direct measurements of cathode parameters stability. This technique is based on periodic measurements of cathode I- V characteristics. Moreover, it allows performing a post-experiment optimization for the appropriate choice of the feedback system to provide a stable operation during a long time. The proposed technique was applied to study the emission properties of reticulated vitreous carbon (RVC) and thermo-enlarged graphite (TEG). For the given cathodes, the characteristic time of the cathode destruction was estimated.

Techniques for the Enhancement of Linear Predictive Speech Coding in Adverse Conditions

NASA Astrophysics Data System (ADS)

Wrench, Alan A.

Available from UMI in association with The British Library. Requires signed TDF. The Linear Prediction model was first applied to speech two and a half decades ago. Since then it has been the subject of intense research and continues to be one of the principal tools in the analysis of speech. Its mathematical tractability makes it a suitable subject for study and its proven success in practical applications makes the study worthwhile. The model is known to be unsuited to speech corrupted by background noise. This has led many researchers to investigate ways of enhancing the speech signal prior to Linear Predictive analysis. In this thesis this body of work is extended. The chosen application is low bit-rate (2.4 kbits/sec) speech coding. For this task the performance of the Linear Prediction algorithm is crucial because there is insufficient bandwidth to encode the error between the modelled speech and the original input. A review of the fundamentals of Linear Prediction and an independent assessment of the relative performance of methods of Linear Prediction modelling are presented. A new method is proposed which is fast and facilitates stability checking, however, its stability is shown to be unacceptably poorer than existing methods. A novel supposition governing the positioning of the analysis frame relative to a voiced speech signal is proposed and supported by observation. The problem of coding noisy speech is examined. Four frequency domain speech processing techniques are developed and tested. These are: (i) Combined Order Linear Prediction Spectral Estimation; (ii) Frequency Scaling According to an Aural Model; (iii) Amplitude Weighting Based on Perceived Loudness; (iv) Power Spectrum Squaring. These methods are compared with the Recursive Linearised Maximum a Posteriori method. Following on from work done in the frequency domain, a time domain implementation of spectrum squaring is developed. In addition, a new method of power spectrum estimation is developed based on the Minimum Variance approach. This new algorithm is shown to be closely related to Linear Prediction but produces slightly broader spectral peaks. Spectrum squaring is applied to both the new algorithm and standard Linear Prediction and their relative performance is assessed. (Abstract shortened by UMI.).

Structure-based methods to predict mutational resistance to diarylpyrimidine non-nucleoside reverse transcriptase inhibitors.

PubMed

Azeem, Syeda Maryam; Muwonge, Alecia N; Thakkar, Nehaben; Lam, Kristina W; Frey, Kathleen M

2018-01-01

Resistance to non-nucleoside reverse transcriptase inhibitors (NNRTIs) is a leading cause of HIV treatment failure. Often included in antiviral therapy, NNRTIs are chemically diverse compounds that bind an allosteric pocket of enzyme target reverse transcriptase (RT). Several new NNRTIs incorporate flexibility in order to compensate for lost interactions with amino acid conferring mutations in RT. Unfortunately, even successful inhibitors such as diarylpyrimidine (DAPY) inhibitor rilpivirine are affected by mutations in RT that confer resistance. In order to aid drug design efforts, it would be efficient and cost effective to pre-evaluate NNRTI compounds in development using a structure-based computational approach. As proof of concept, we applied a residue scan and molecular dynamics strategy using RT crystal structures to predict mutations that confer resistance to DAPYs rilpivirine, etravirine, and investigational microbicide dapivirine. Our predictive values, changes in affinity and stability, are correlative with fold-resistance data for several RT mutants. Consistent with previous studies, mutation K101P is predicted to confer high-level resistance to DAPYs. These findings were further validated using structural analysis, molecular dynamics, and an enzymatic reverse transcription assay. Our results confirm that changes in affinity and stability for mutant complexes are predictive parameters of resistance as validated by experimental and clinical data. In future work, we believe that this computational approach may be useful to predict resistance mutations for inhibitors in development. Published by Elsevier Inc.

Metal adsorption onto bacterial surfaces: development of a predictive approach

NASA Astrophysics Data System (ADS)

Fein, Jeremy B.; Martin, Aaron M.; Wightman, Peter G.

2001-12-01

Aqueous metal cation adsorption onto bacterial surfaces can be successfully modeled by means of a surface complexation approach. However, relatively few stability constants for metal-bacterial surface complexes have been measured. In order to determine the bacterial adsorption behavior of cations that have not been studied in the laboratory, predictive techniques are required that enable estimation of the stability constants of bacterial surface complexes. In this study, we use a linear free-energy approach to compare previously measured stability constants for Bacillus subtilis metal-carboxyl surface complexes with aqueous metal-organic acid anion stability constants. The organic acids that we consider are acetic, oxalic, citric, and tiron. We add to this limited data set by conducting metal adsorption experiments onto Bacillus subtilis, determining bacterial surface stability constants for Co, Nd, Ni, Sr, and Zn. The adsorption behavior of each of the metals studied here was described well by considering metal-carboxyl bacterial surface complexation only, except for the Zn adsorption behavior, which required carboxyl and phosphoryl complexation to obtain a suitable fit to the data. The best correlation between bacterial carboxyl surface complexes and aqueous organic acid anion stability constants was obtained by means of metal-acetate aqueous complexes, with a linear correlation coefficient of 0.97. This correlation applies only to unhydrolyzed aqueous cations and only to carboxyl binding of those cations, and it does not predict the binding behavior under conditions where metal binding to other bacterial surface site types occurs. However, the relationship derived in this study permits estimation of the carboxyl site adsorption behavior of a wide range of aqueous metal cations for which there is an absence of experimental data. This technique, coupled with the observation of similar adsorption behaviors across bacterial species (Yee and Fein, 2001), enables estimation of the effects of bacterial adsorption on metal mobilities for a large number of environmental and geologic applications.

Development of predictive weather scenarios for early prediction of rice yield in South Korea

NASA Astrophysics Data System (ADS)

Shin, Y.; Cho, J.; Jung, I.

2017-12-01

International grain prices are becoming unstable due to frequent occurrence of abnormal weather phenomena caused by climate change. Early prediction of grain yield using weather forecast data is important for stabilization of international grain prices. The APEC Climate Center (APCC) is providing seasonal forecast data based on monthly climate prediction models for global seasonal forecasting services. The 3-month and 6-month seasonal forecast data using the multi-model ensemble (MME) technique are provided in their own website, ADSS (APCC Data Service System, http://adss.apcc21.org/). The spatial resolution of seasonal forecast data for each individual model is 2.5°×2.5°(about 250km) and the time scale is created as monthly. In this study, we developed customized weather forecast scenarios that are combined seasonal forecast data and observational data apply to early rice yield prediction model. Statistical downscale method was applied to produce meteorological input data of crop model because field scale crop model (ORYZA2000) requires daily weather data. In order to determine whether the forecasting data is suitable for the crop model, we produced spatio-temporal downscaled weather scenarios and evaluated the predictability by comparison with observed weather data at 57 ASOS stations in South Korea. The customized weather forecast scenarios can be applied to various application fields not only early rice yield prediction. Acknowledgement This work was carried out with the support of "Cooperative Research Program for Agriculture Science and Technology Development (Project No: PJ012855022017)" Rural Development Administration, Republic of Korea.

Field-Line Localized Destabilization of Ballooning Modes in Three-Dimensional Tokamaks

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

Willensdorfer, M.; Cote, T. B.; Hegna, C. C.

2017-08-25

Field-line localized ballooning modes have been observed at the edge of high confinement mode plasmas in ASDEX Upgrade with rotating 3D perturbations induced by an externally applied n ¼ 2 error field and during a moderate level of edge localized mode mitigation. The observed ballooning modes are localized to the field lines which experience one of the two zero crossings of the radial flux surface displacement during one rotation period. The localization of the ballooning modes agrees very well with the localization of the largest growth rates from infinite-n ideal ballooning stability calculations using a realistic 3D ideal magnetohydrodynamic equilibrium.more » This analysis predicts a lower stability with respect to the axisymmetric case. The primary mechanism for the local lower stability is the 3D distortion of the local magnetic shear.« less

Feedback-assisted extension of the tokamak operating space to low safety factor

DOE PAGES

Hanson, Jeremy M.; Bialek, James M.; Baruzzo, M.; ...

2014-07-07

Recent DIII-D and RFX-mod experiments have demonstrated stable tokamak operation at very low values of the edge safety factor q( a) near and below 2. The onset of n = 1 resistive wall mode (RWM) kink instabilities leads to a disruptive stability limit, encountered at q( a) = 2 (limiter plasmas) and q 95 = 2 (divertor plasmas). However, passively stable operation can be attained for q( a) and q 95 values as low as 2.2. RWM damping in the q( a) = 2 regime was measured using active MHD spectroscopy. Although consistent with theoretical predictions, the amplitude of themore » damped response does not increase significantly as the q( a) = 2 limit is approached, in contrast with damping measurements made approaching the pressure-driven RWM limit. Applying proportional gain magnetic feedback control of the n = 1 modes has resulted in stabilized operation with q 95 values reaching as low as 1.9 in DIII-D and q( a) reaching 1.55 in RFX-mod. In addition to being consistent with the q( a) = 2 external kink mode stability limit, the unstable modes have growth rates on the order of the characteristic wall eddy-current decay timescale in both devices, and a dominant m = 2 poloidal structure that is consistent with ideal MHD predictions. As a result, the experiments contribute to validating MHD stability theory and demonstrate that a key tokamak stability limit can be overcome with feedback.« less

Effects of topographic data quality on estimates of shallow slope stability using different regolith depth models

USGS Publications Warehouse

Baum, Rex L.

2017-01-01

Thickness of colluvium or regolith overlying bedrock or other consolidated materials is a major factor in determining stability of unconsolidated earth materials on steep slopes. Many efforts to model spatially distributed slope stability, for example to assess susceptibility to shallow landslides, have relied on estimates of constant thickness, constant depth, or simple models of thickness (or depth) based on slope and other topographic variables. Assumptions of constant depth or thickness rarely give satisfactory results. Geomorphologists have devised a number of different models to represent the spatial variability of regolith depth and applied them to various settings. I have applied some of these models that can be implemented numerically to different study areas with different types of terrain and tested the results against available depth measurements and landslide inventories. The areas include crystalline rocks of the Colorado Front Range, and gently dipping sedimentary rocks of the Oregon Coast Range. Model performance varies with model, terrain type, and with quality of the input topographic data. Steps in contour-derived 10-m digital elevation models (DEMs) introduce significant errors into the predicted distribution of regolith and landslides. Scan lines, facets, and other artifacts further degrade DEMs and model predictions. Resampling to a lower grid-cell resolution can mitigate effects of facets in lidar DEMs of areas where dense forest severely limits ground returns. Due to its higher accuracy and ability to penetrate vegetation, lidar-derived topography produces more realistic distributions of cover and potential landslides than conventional photogrammetrically derived topographic data.

Hard-Rock Stability Analysis for Span Design in Entry-Type Excavations with Learning Classifiers

PubMed Central

García-Gonzalo, Esperanza; Fernández-Muñiz, Zulima; García Nieto, Paulino José; Bernardo Sánchez, Antonio; Menéndez Fernández, Marta

2016-01-01

The mining industry relies heavily on empirical analysis for design and prediction. An empirical design method, called the critical span graph, was developed specifically for rock stability analysis in entry-type excavations, based on an extensive case-history database of cut and fill mining in Canada. This empirical span design chart plots the critical span against rock mass rating for the observed case histories and has been accepted by many mining operations for the initial span design of cut and fill stopes. Different types of analysis have been used to classify the observed cases into stable, potentially unstable and unstable groups. The main purpose of this paper is to present a new method for defining rock stability areas of the critical span graph, which applies machine learning classifiers (support vector machine and extreme learning machine). The results show a reasonable correlation with previous guidelines. These machine learning methods are good tools for developing empirical methods, since they make no assumptions about the regression function. With this software, it is easy to add new field observations to a previous database, improving prediction output with the addition of data that consider the local conditions for each mine. PMID:28773653

Hard-Rock Stability Analysis for Span Design in Entry-Type Excavations with Learning Classifiers.

PubMed

García-Gonzalo, Esperanza; Fernández-Muñiz, Zulima; García Nieto, Paulino José; Bernardo Sánchez, Antonio; Menéndez Fernández, Marta

2016-06-29

The mining industry relies heavily on empirical analysis for design and prediction. An empirical design method, called the critical span graph, was developed specifically for rock stability analysis in entry-type excavations, based on an extensive case-history database of cut and fill mining in Canada. This empirical span design chart plots the critical span against rock mass rating for the observed case histories and has been accepted by many mining operations for the initial span design of cut and fill stopes. Different types of analysis have been used to classify the observed cases into stable, potentially unstable and unstable groups. The main purpose of this paper is to present a new method for defining rock stability areas of the critical span graph, which applies machine learning classifiers (support vector machine and extreme learning machine). The results show a reasonable correlation with previous guidelines. These machine learning methods are good tools for developing empirical methods, since they make no assumptions about the regression function. With this software, it is easy to add new field observations to a previous database, improving prediction output with the addition of data that consider the local conditions for each mine.

A Bayesian phylogenetic approach to estimating the stability of linguistic features and the genetic biasing of tone.

PubMed

Dediu, Dan

2011-02-07

Language is a hallmark of our species and understanding linguistic diversity is an area of major interest. Genetic factors influencing the cultural transmission of language provide a powerful and elegant explanation for aspects of the present day linguistic diversity and a window into the emergence and evolution of language. In particular, it has recently been proposed that linguistic tone-the usage of voice pitch to convey lexical and grammatical meaning-is biased by two genes involved in brain growth and development, ASPM and Microcephalin. This hypothesis predicts that tone is a stable characteristic of language because of its 'genetic anchoring'. The present paper tests this prediction using a Bayesian phylogenetic framework applied to a large set of linguistic features and language families, using multiple software implementations, data codings, stability estimations, linguistic classifications and outgroup choices. The results of these different methods and datasets show a large agreement, suggesting that this approach produces reliable estimates of the stability of linguistic data. Moreover, linguistic tone is found to be stable across methods and datasets, providing suggestive support for the hypothesis of genetic influences on its distribution.

Building predictive models for MERS-CoV infections using data mining techniques.

PubMed

Al-Turaiki, Isra; Alshahrani, Mona; Almutairi, Tahani

Recently, the outbreak of MERS-CoV infections caused worldwide attention to Saudi Arabia. The novel virus belongs to the coronaviruses family, which is responsible for causing mild to moderate colds. The control and command center of Saudi Ministry of Health issues a daily report on MERS-CoV infection cases. The infection with MERS-CoV can lead to fatal complications, however little information is known about this novel virus. In this paper, we apply two data mining techniques in order to better understand the stability and the possibility of recovery from MERS-CoV infections. The Naive Bayes classifier and J48 decision tree algorithm were used to build our models. The dataset used consists of 1082 records of cases reported between 2013 and 2015. In order to build our prediction models, we split the dataset into two groups. The first group combined recovery and death records. A new attribute was created to indicate the record type, such that the dataset can be used to predict the recovery from MERS-CoV. The second group contained the new case records to be used to predict the stability of the infection based on the current status attribute. The resulting recovery models indicate that healthcare workers are more likely to survive. This could be due to the vaccinations that healthcare workers are required to get on regular basis. As for the stability models using J48, two attributes were found to be important for predicting stability: symptomatic and age. Old patients are at high risk of developing MERS-CoV complications. Finally, the performance of all the models was evaluated using three measures: accuracy, precision, and recall. In general, the accuracy of the models is between 53.6% and 71.58%. We believe that the performance of the prediction models can be enhanced with the use of more patient data. As future work, we plan to directly contact hospitals in Riyadh in order to collect more information related to patients with MERS-CoV infections. Copyright © 2016 King Saud Bin Abdulaziz University for Health Sciences. Published by Elsevier Ltd. All rights reserved.

Cognitively Elite, Cognitively Normal, and Cognitively Impaired Aging: Neurocognitive Status and Stability Moderate Memory Performance

PubMed Central

Dixon, Roger A.; de Frias, Cindy M.

2014-01-01

Objective Although recent theories of brain and cognitive aging distinguish among normal, exceptional, and impaired groups, further empirical evidence is required. We adapted and applied standard procedures for classifying groups of cognitively impaired (CI) and cognitively normal (CN) older adults to a third classification, cognitively healthy, exceptional, or elite (CE) aging. We then examined concurrent and two-wave longitudinal performance on composite variables of episodic, semantic, and working memory. Method We began with a two-wave source sample from the Victoria Longitudinal Study (VLS) (source n=570; baseline age=53–90 years). The goals were to: (a) apply standard and objective classification procedures to discriminate three cognitive status groups, (b) conduct baseline comparisons of memory performance, (c) develop two-wave status stability and change subgroups, and (d) compare of stability subgroup differences in memory performance and change. Results As expected, the CE group performed best on all three memory composites. Similarly, expected status stability effects were observed: (a) stable CE and CN groups performed memory tasks better than their unstable counterparts and (b) stable (and chronic) CI group performed worse than its unstable (variable) counterpart. These stability group differences were maintained over two waves. Conclusion New data validate the expectations that (a) objective clinical classification procedures for cognitive impairment can be adapted for detecting cognitively advantaged older adults and (b) performance in three memory systems is predictably related to the tripartite classification. PMID:24742143

Stability analysis of a two-stage tapered gyrotron traveling-wave tube amplifier with distributed losses

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

Hung, C. L.; Lian, Y. H.; Cheng, N. H.

2012-11-15

The two-stage tapered gyrotron traveling-wave tube (gyro-TWT) amplifier has achieved wide bandwidth in the millimeter wave range. However, possible oscillations in each stage limit this amplifier's operating beam current and thus its output power. To further enhance the amplifier's stability, distributed losses are applied to the interaction circuit of the two-stage tapered gyro-TWT. A self-consistent particle-tracing code is used for analyzing the beam-wave interactions. The stability analysis includes the effects of the wall losses and the length of each stage on the possible oscillations. Simulation results reveal that the distributed-loss method effectively stabilizes all the oscillations in the two stages.more » Under stable operating conditions, the device is predicted to produce a peak power of 60 kW with an efficiency of 29% and a saturated gain of 52 dB in the Ka-band. The 3-dB bandwidth is 5.7 GHz, which is approximately 16% of the center frequency.« less

Life prediction methodology for thermal-mechanical fatigue and elevated temperature creep design

NASA Astrophysics Data System (ADS)

Annigeri, Ravindra

Nickel-based superalloys are used for hot section components of gas turbine engines. Life prediction techniques are necessary to assess service damage in superalloy components resulting from thermal-mechanical fatigue (TMF) and elevated temperature creep. A new TMF life model based on continuum damage mechanics has been developed and applied to IN 738 LC substrate material with and without coating. The model also characterizes TMF failure in bulk NiCoCrAlY overlay and NiAl aluminide coatings. The inputs to the TMF life model are mechanical strain range, hold time, peak cycle temperatures and maximum stress measured from the stabilized or mid-life hysteresis loops. A viscoplastic model is used to predict the stress-strain hysteresis loops. A flow rule used in the viscoplastic model characterizes the inelastic strain rate as a function of the applied stress and a set of three internal stress variables known as back stress, drag stress and limit stress. Test results show that the viscoplastic model can reasonably predict time-dependent stress-strain response of the coated material and stress relaxation during hold times. In addition to the TMF life prediction methodology, a model has been developed to characterize the uniaxial and multiaxial creep behavior. An effective stress defined as the applied stress minus the back stress is used to characterize the creep recovery and primary creep behavior. The back stress has terms representing strain hardening, dynamic recovery and thermal recovery. Whenever the back stress is greater than the applied stress, the model predicts a negative creep rate observed during multiple stress and multiple temperature cyclic tests. The model also predicted the rupture time and the remaining life that are important for life assessment. The model has been applied to IN 738 LC, Mar-M247, bulk NiCoCrAlY overlay coating and 316 austenitic stainless steel. The proposed model predicts creep response with a reasonable accuracy for wide range of loading cases such as uniaxial tension, tension-torsion and tension-internal pressure loading.

Predicting Electrostatic Forces in RNA Folding

PubMed Central

Tan, Zhi-Jie; Chen, Shi-Jie

2016-01-01

Metal ion-mediated electrostatic interactions are critical to RNA folding. Although considerable progress has been made in mechanistic studies, the problem of accurate predictions for the ion effects in RNA folding remains unsolved, mainly due to the complexity of several potentially important issues such as ion correlation and dehydration effects. In this chapter, after giving a brief overview of the experimental findings and theoretical approaches, we focus on a recently developed new model, the tightly bound ion (TBI) model, for ion electrostatics in RNA folding. The model is unique because it can treat ion correlation and fluctuation effects for realistic RNA 3D structures. For monovalent ion (such as Na+) solutions, where ion correlation is weak, TBI and the Poisson–Boltzmann (PB) theory give the same results and the results agree with the experimental data. For multivalent ion (such as Mg2+) solutions, where ion correlation can be strong, however, TBI gives much improved predictions than the PB. Moreover, the model suggests an ion correlation- induced mechanism for the unusual efficiency of Mg2+ ions in the stabilization of RNA tertiary folds. In this chapter, after introducing the theoretical framework of the TBI model, we will describe how to apply the model to predict ion-binding properties and ion-dependent folding stabilities. PMID:20946803

Feature Selection Methods for Zero-Shot Learning of Neural Activity.

PubMed

Caceres, Carlos A; Roos, Matthew J; Rupp, Kyle M; Milsap, Griffin; Crone, Nathan E; Wolmetz, Michael E; Ratto, Christopher R

2017-01-01

Dimensionality poses a serious challenge when making predictions from human neuroimaging data. Across imaging modalities, large pools of potential neural features (e.g., responses from particular voxels, electrodes, and temporal windows) have to be related to typically limited sets of stimuli and samples. In recent years, zero-shot prediction models have been introduced for mapping between neural signals and semantic attributes, which allows for classification of stimulus classes not explicitly included in the training set. While choices about feature selection can have a substantial impact when closed-set accuracy, open-set robustness, and runtime are competing design objectives, no systematic study of feature selection for these models has been reported. Instead, a relatively straightforward feature stability approach has been adopted and successfully applied across models and imaging modalities. To characterize the tradeoffs in feature selection for zero-shot learning, we compared correlation-based stability to several other feature selection techniques on comparable data sets from two distinct imaging modalities: functional Magnetic Resonance Imaging and Electrocorticography. While most of the feature selection methods resulted in similar zero-shot prediction accuracies and spatial/spectral patterns of selected features, there was one exception; A novel feature/attribute correlation approach was able to achieve those accuracies with far fewer features, suggesting the potential for simpler prediction models that yield high zero-shot classification accuracy.

Prediction of phospholipidosis-inducing potential of drugs by in vitro biochemical and physicochemical assays followed by multivariate analysis.

PubMed

Kuroda, Yukihiro; Saito, Madoka

2010-03-01

An in vitro method to predict phospholipidosis-inducing potential of cationic amphiphilic drugs (CADs) was developed using biochemical and physicochemical assays. The following parameters were applied to principal component analysis, as well as physicochemical parameters: pK(a) and clogP; dissociation constant of CADs from phospholipid, inhibition of enzymatic phospholipid degradation, and metabolic stability of CADs. In the score plot, phospholipidosis-inducing drugs (amiodarone, propranolol, imipramine, chloroquine) were plotted locally forming the subspace for positive CADs; while non-inducing drugs (chlorpromazine, chloramphenicol, disopyramide, lidocaine) were placed scattering out of the subspace, allowing a clear discrimination between both classes of CADs. CADs that often produce false results by conventional physicochemical or cell-based assay methods were accurately determined by our method. Basic and lipophilic disopyramide could be accurately predicted as a nonphospholipidogenic drug. Moreover, chlorpromazine, which is often falsely predicted as a phospholipidosis-inducing drug by in vitro methods, could be accurately determined. Because this method uses the pharmacokinetic parameters pK(a), clogP, and metabolic stability, which are usually obtained in the early stages of drug development, the method newly requires only the two parameters, binding to phospholipid, and inhibition of lipid degradation enzyme. Therefore, this method provides a cost-effective approach to predict phospholipidosis-inducing potential of a drug. Copyright (c) 2009 Elsevier Ltd. All rights reserved.

Analytical Approach Validation for the Spin-Stabilized Satellite Attitude

NASA Technical Reports Server (NTRS)

Zanardi, Maria Cecilia F. P. S.; Garcia, Roberta Veloso; Kuga, Helio Koiti

2007-01-01

An analytical approach for spin-stabilized spacecraft attitude prediction is presented for the influence of the residual magnetic torques and the satellite in an elliptical orbit. Assuming a quadripole model for the Earth s magnetic field, an analytical averaging method is applied to obtain the mean residual torque in every orbital period. The orbit mean anomaly is used to compute the average components of residual torque in the spacecraft body frame reference system. The theory is developed for time variations in the orbital elements, giving rise to many curvature integrals. It is observed that the residual magnetic torque does not have component along the spin axis. The inclusion of this torque on the rotational motion differential equations of a spin stabilized spacecraft yields conditions to derive an analytical solution. The solution shows that the residual torque does not affect the spin velocity magnitude, contributing only for the precession and the drift of the spin axis of the spacecraft. The theory developed has been applied to the Brazilian s spin stabilized satellites, which are quite appropriated for verification and comparison of the theory with the data generated and processed by the Satellite Control Center of Brazil National Research Institute. The results show the period that the analytical solution can be used to the attitude propagation, within the dispersion range of the attitude determination system performance of Satellite Control Center of Brazil National Research Institute.

Free Energy Perturbation Calculations of the Thermodynamics of Protein Side-Chain Mutations.

PubMed

Steinbrecher, Thomas; Abel, Robert; Clark, Anthony; Friesner, Richard

2017-04-07

Protein side-chain mutation is fundamental both to natural evolutionary processes and to the engineering of protein therapeutics, which constitute an increasing fraction of important medications. Molecular simulation enables the prediction of the effects of mutation on properties such as binding affinity, secondary and tertiary structure, conformational dynamics, and thermal stability. A number of widely differing approaches have been applied to these predictions, including sequence-based algorithms, knowledge-based potential functions, and all-atom molecular mechanics calculations. Free energy perturbation theory, employing all-atom and explicit-solvent molecular dynamics simulations, is a rigorous physics-based approach for calculating thermodynamic effects of, for example, protein side-chain mutations. Over the past several years, we have initiated an investigation of the ability of our most recent free energy perturbation methodology to model the thermodynamics of protein mutation for two specific problems: protein-protein binding affinities and protein thermal stability. We highlight recent advances in the field and outline current and future challenges. Copyright © 2017 Elsevier Ltd. All rights reserved.

Applications of system identification methods to the prediction of helicopter stability, control and handling characteristics

NASA Technical Reports Server (NTRS)

Padfield, G. D.; Duval, R. K.

1982-01-01

A set of results on rotorcraft system identification is described. Flight measurements collected on an experimental Puma helicopter are reviewed and some notable characteristics highlighted. Following a brief review of previous work in rotorcraft system identification, the results of state estimation and model structure estimation processes applied to the Puma data are presented. The results, which were obtained using NASA developed software, are compared with theoretical predictions of roll, yaw and pitching moment derivatives for a 6 degree of freedom model structure. Anomalies are reported. The theoretical methods used are described. A framework for reduced order modelling is outlined.

Multiple Transient Memories in Experiments on Sheared Non-Brownian Suspensions

NASA Astrophysics Data System (ADS)

Paulsen, Joseph D.; Keim, Nathan C.; Nagel, Sidney R.

2014-08-01

A system with multiple transient memories can remember a set of inputs but subsequently forgets almost all of them, even as they are continually applied. If noise is added, the system can store all memories indefinitely. The phenomenon has recently been predicted for cyclically sheared non-Brownian suspensions. Here we present experiments on such suspensions, finding behavior consistent with multiple transient memories and showing how memories can be stabilized by noise.

Trajectory Prediction of Spin-Stabilized Projectiles With a Steady Liquid Payload

DTIC Science & Technology

2011-11-01

analysis assumes the effect of a liquid payload is similar to the Magnus effect . Spectral analysis used to numerically compute liquid-fill induced...the internal motion of a liquid payload can induce destabilizing moments on the projectile. This report creates a method to include the effect of... effect , liquid payload moments are added to the applied loads on the projectile. These loads are computed by solving the linearized Navier-Stokes

Design, fabrication, and test of a graphite/epoxy metering truss. [as applied to the LST

NASA Technical Reports Server (NTRS)

Oken, S.; Skoumal, D. E.

1975-01-01

A graphite/epoxy metering truss as applied to the large space telescope was investigated. A full-scale truss was designed, fabricated and tested. Tests included static limit loadings, a modal survey and thermal-vacuum distortion evaluation. The most critical requirement was the demonstration of the dimensional stability provided by the graphite/epoxy truss concept. Crucial to the attainment of this objective was the ability to make very sophisticated thermal growth measurements which was provided by a seven beam laser interferometer. The design of the basic truss elements were tuned to provide the high degree of dimensional stability and stiffness required by the truss. The struts and spider assembly were fabricated with Fiberite's AS/934 and HMS/934 broadgoods. The rings utilized T300 graphite fabricate with the same materials. The predicted performance of the truss was developed using the NASTRAN program. These results showed conformance with the critical stiffness and thermal distortion requirements and correlated well with the test results.

Control of magnetohydrodynamic stability by phase space engineering of energetic ions in tokamak plasmas.

PubMed

Graves, J P; Chapman, I T; Coda, S; Lennholm, M; Albergante, M; Jucker, M

2012-01-10

Virtually collisionless magnetic mirror-trapped energetic ion populations often partially stabilize internally driven magnetohydrodynamic disturbances in the magnetosphere and in toroidal laboratory plasma devices such as the tokamak. This results in less frequent but dangerously enlarged plasma reorganization. Unique to the toroidal magnetic configuration are confined 'circulating' energetic particles that are not mirror trapped. Here we show that a newly discovered effect from hybrid kinetic-magnetohydrodynamic theory has been exploited in sophisticated phase space engineering techniques for controlling stability in the tokamak. These theoretical predictions have been confirmed, and the technique successfully applied in the Joint European Torus. Manipulation of auxiliary ion heating systems can create an asymmetry in the distribution of energetic circulating ions in the velocity orientated along magnetic field lines. We show the first experiments in which large sawtooth collapses have been controlled by this technique, and neoclassical tearing modes avoided, in high-performance reactor-relevant plasmas.

Experimental and numerical investigation of development of disturbances in the boundary layer on sharp and blunted cone

NASA Astrophysics Data System (ADS)

Borisov, S. P.; Bountin, D. A.; Gromyko, Yu. V.; Khotyanovsky, D. V.; Kudryavtsev, A. N.

2016-10-01

Development of disturbances in the supersonic boundary layer on sharp and blunted cones is studied both experimentally and theoretically. The experiments were conducted at the Transit-M hypersonic wind tunnel of the Institute of Theoretical and Applied Mechanics. Linear stability calculations use the basic flow profiles provided by the numerical simulations performed by solving the Navier-Stokes equations with the ANSYS Fluent and the in-house CFS3D code. Both the global pseudospectral Chebyshev method and the local iteration procedure are employed to solve the eigenvalue problem and determine linear stability characteristics. The calculated amplification factors for disturbances of various frequencies are compared with the experimentally measured pressure fluctuation spectra at different streamwise positions. It is shown that the linear stability calculations predict quite accurately the frequency of the most amplified disturbances and enable us to estimate reasonably well their relative amplitudes.

Modelling and tuning for a time-delayed vibration absorber with friction

NASA Astrophysics Data System (ADS)

Zhang, Xiaoxu; Xu, Jian; Ji, Jinchen

2018-06-01

This paper presents an integrated analytical and experimental study to the modelling and tuning of a time-delayed vibration absorber (TDVA) with friction. In system modelling, this paper firstly applies the method of averaging to obtain the frequency response function (FRF), and then uses the derived FRF to evaluate the fitness of different friction models. After the determination of the system model, this paper employs the obtained FRF to evaluate the vibration absorption performance with respect to tunable parameters. A significant feature of the TDVA with friction is that its stability is dependent on the excitation parameters. To ensure the stability of the time-delayed control, this paper defines a sufficient condition for stability estimation. Experimental measurements show that the dynamic response of the TDVA with friction can be accurately predicted and the time-delayed control can be precisely achieved by using the modelling and tuning technique provided in this paper.

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

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

Sun, Xiaojun; Hasegawa, Yosuke; CREST, JST

2014-10-15

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

On the linear stability of blood flow through model capillary networks.

PubMed

Davis, Jeffrey M

2014-12-01

Under the approximation that blood behaves as a continuum, a numerical implementation is presented to analyze the linear stability of capillary blood flow through model tree and honeycomb networks that are based on the microvascular structures of biological tissues. The tree network is comprised of a cascade of diverging bifurcations, in which a parent vessel bifurcates into two descendent vessels, while the honeycomb network also contains converging bifurcations, in which two parent vessels merge into one descendent vessel. At diverging bifurcations, a cell partitioning law is required to account for the nonuniform distribution of red blood cells as a function of the flow rate of blood into each descendent vessel. A linearization of the governing equations produces a system of delay differential equations involving the discharge hematocrit entering each network vessel and leads to a nonlinear eigenvalue problem. All eigenvalues in a specified region of the complex plane are captured using a transformation based on contour integrals to construct a linear eigenvalue problem with identical eigenvalues, which are then determined using a standard QR algorithm. The predicted value of the dimensionless exponent in the cell partitioning law at the instability threshold corresponds to a supercritical Hopf bifurcation in numerical simulations of the equations governing unsteady blood flow. Excellent agreement is found between the predictions of the linear stability analysis and nonlinear simulations. The relaxation of the assumption of plug flow made in previous stability analyses typically has a small, quantitative effect on the stability results that depends on the specific network structure. This implementation of the stability analysis can be applied to large networks with arbitrary structure provided only that the connectivity among the network segments is known.

Development of a coal quality analyzer for application to power plants based on laser-induced breakdown spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, Lei; Gong, Yao; Li, Yufang; Wang, Xin; Fan, Juanjuan; Dong, Lei; Ma, Weiguang; Yin, Wangbao; Jia, Suotang

2015-11-01

It is vitally important for a power plant to determine the coal property rapidly to optimize the combustion process. In this work, a fully software-controlled laser-induced breakdown spectroscopy (LIBS) based coal quality analyzer comprising a LIBS apparatus, a sampling equipment, and a control module, has been designed for possible application to power plants for offering rapid and precise coal quality analysis results. A closed-loop feedback pulsed laser energy stabilization technology is proposed to stabilize the Nd: YAG laser output energy to a preset interval by using the detected laser energy signal so as to enhance the measurement stability and applied in a month-long monitoring experiment. The results show that the laser energy stability has been greatly reduced from ± 5.2% to ± 1.3%. In order to indicate the complex relationship between the concentrations of the analyte of interest and the corresponding plasma spectra, the support vector regression (SVR) is employed as a non-linear regression method. It is shown that this SVR method combined with principal component analysis (PCA) enables a significant improvement in cross-validation accuracy by using the calibration set of coal samples. The root mean square error for prediction of ash content, volatile matter content, and calorific value decreases from 2.74% to 1.82%, 1.69% to 1.22%, and 1.23 MJ/kg to 0.85 MJ/kg, respectively. Meanwhile, the corresponding average relative error of the predicted samples is reduced from 8.3% to 5.48%, 5.83% to 4.42%, and 5.4% to 3.68%, respectively. The enhanced levels of accuracy obtained with the SVR combined with PCA based calibration models open up avenues for prospective prediction in coal properties.

Stability of infinite slopes under transient partially saturated seepage conditions

NASA Astrophysics Data System (ADS)

Godt, Jonathan W.; ŞEner-Kaya, BaşAk; Lu, Ning; Baum, Rex L.

2012-05-01

Prediction of the location and timing of rainfall-induced shallow landslides is desired by organizations responsible for hazard management and warnings. However, hydrologic and mechanical processes in the vadose zone complicate such predictions. Infiltrating rainfall must typically pass through an unsaturated layer before reaching the irregular and usually discontinuous shallow water table. This process is dynamic and a function of precipitation intensity and duration, the initial moisture conditions and hydrologic properties of the hillside materials, and the geometry, stratigraphy, and vegetation of the hillslope. As a result, pore water pressures, volumetric water content, effective stress, and thus the propensity for landsliding vary over seasonal and shorter time scales. We apply a general framework for assessing the stability of infinite slopes under transient variably saturated conditions. The framework includes profiles of pressure head and volumetric water content combined with a general effective stress for slope stability analysis. The general effective stress, or suction stress, provides a means for rigorous quantification of stress changes due to rainfall and infiltration and thus the analysis of slope stability over the range of volumetric water contents and pressure heads relevant to shallow landslide initiation. We present results using an analytical solution for transient infiltration for a range of soil texture and hydrological properties typical of landslide-prone hillslopes and show the effect of these properties on the timing and depth of slope failure. We follow by analyzing field-monitoring data acquired prior to shallow landslide failure of a hillside near Seattle, Washington, and show that the timing of the slide was predictable using measured pressure head and volumetric water content and show how the approach can be used in a forward manner using a numerical model for transient infiltration.

Uniformly stable backpropagation algorithm to train a feedforward neural network.

PubMed

Rubio, José de Jesús; Angelov, Plamen; Pacheco, Jaime

2011-03-01

Neural networks (NNs) have numerous applications to online processes, but the problem of stability is rarely discussed. This is an extremely important issue because, if the stability of a solution is not guaranteed, the equipment that is being used can be damaged, which can also cause serious accidents. It is true that in some research papers this problem has been considered, but this concerns continuous-time NN only. At the same time, there are many systems that are better described in the discrete time domain such as population of animals, the annual expenses in an industry, the interest earned by a bank, or the prediction of the distribution of loads stored every hour in a warehouse. Therefore, it is of paramount importance to consider the stability of the discrete-time NN. This paper makes several important contributions. 1) A theorem is stated and proven which guarantees uniform stability of a general discrete-time system. 2) It is proven that the backpropagation (BP) algorithm with a new time-varying rate is uniformly stable for online identification and the identification error converges to a small zone bounded by the uncertainty. 3) It is proven that the weights' error is bounded by the initial weights' error, i.e., overfitting is eliminated in the proposed algorithm. 4) The BP algorithm is applied to predict the distribution of loads that a transelevator receives from a trailer and places in the deposits in a warehouse every hour, so that the deposits in the warehouse are reserved in advance using the prediction results. 5) The BP algorithm is compared with the recursive least square (RLS) algorithm and with the Takagi-Sugeno type fuzzy inference system in the problem of predicting the distribution of loads in a warehouse, giving that the first and the second are stable and the third is unstable. 6) The BP algorithm is compared with the RLS algorithm and with the Kalman filter algorithm in a synthetic example.

Utility of the Instability Severity Index Score in Predicting Failure After Arthroscopic Anterior Stabilization of the Shoulder.

PubMed

Phadnis, Joideep; Arnold, Christine; Elmorsy, Ahmed; Flannery, Mark

2015-08-01

The redislocation rate after arthroscopic stabilization for anterior glenohumeral instability is up to 30%. The Instability Severity Index Score (ISIS) was developed to preoperatively rationalize the risk of failure, but it has not yet been validated by an independent group. To assess the utility of the ISIS in predicting failure of arthroscopic anterior shoulder stabilization and to identify other preoperative factors for failure. Case-control study; Level of evidence, 3. A case-control study was performed on 141 consecutive patients, comparing those who suffered failure of arthroscopic stabilization with those who had successful arthroscopic stabilization. The mean follow-up time was 47 months (range, 24-132 months). The ISIS was applied retrospectively, and an analysis was performed to establish independent risk factors for failure. A receiver operator coefficient curve was constructed to set a threshold ISIS for considering alternative surgery. Of 141 patients, 19 (13.5%) suffered recurrent instability. The mean ISIS of the failed stabilization group was higher than that of the successful stabilization group (5.1 vs 1.7; P < .001). Independent risk factors for failure were Hill-Sachs lesion (P < .001), glenoid bone loss (P < .001), age <21 years at the time of surgery (P < .001), age at first dislocation (P = .01), competitive-level participation in sports (P < .001), and participation in contact or overhead sports (P = .03). The presence of glenoid bone loss carried the highest risk of failure (70%). There was a 70% risk of failure if the ISIS was ≥4, as opposed to a 4% risk of failure if the ISIS was <4. This is the first completely independent study to confirm that the ISIS is a useful preoperative tool. It is recommended that surgeons consider alternative forms of stabilization if the ISIS is ≥4. © 2015 The Author(s).

Summary of longitudinal stability and control parameters as determined from Space Shuttle Challenger flight test data

NASA Technical Reports Server (NTRS)

Suit, William T.

1989-01-01

Estimates of longitudinal stability and control parameters for the space shuttle were determined by applying a maximum likelihood parameter estimation technique to Challenger flight test data. The parameters for pitching moment coefficient, C(m sub alpha), (at different angles of attack), pitching moment coefficient, C(m sub delta e), (at different elevator deflections) and the normal force coefficient, C(z sub alpha), (at different angles of attack) describe 90 percent of the response to longitudinal inputs during Space Shuttle Challenger flights with C(m sub delta e) being the dominant parameter. The values of C(z sub alpha) were found to be input dependent for these tests. However, when C(z sub alpha) was set at preflight predictions, the values determined for C(m sub delta e) changed less than 10 percent from the values obtained when C(z sub alpha) was estimated as well. The preflight predictions for C(z sub alpha) and C(m sub alpha) are acceptable values, while the values of C(z sub delta e) should be about 30 percent less negative than the preflight predictions near Mach 1, and 10 percent less negative, otherwise.

[Effect of heat transfer in the packages on the stability of thiamine nitrate under uncontrolled temperature conditions].

PubMed

Nakamura, Toru; Yamaji, Takayuki; Takayama, Kozo

2013-01-01

To accurately predict the stability of thiamine nitrate as a model drug in pharmaceutical products under uncontrolled temperature conditions, the average reaction rate constant was determined, taking into account the heat transfer from the atmosphere to the product. The stability tests of thiamine nitrate in the three packages with different heat transfers were performed under non-isothermal conditions. The stability data observed were compared with the predictions based on a newly developed method, showing that the stability was well predicted by the method involving the heat transfer. By contrast, there were some deviations observed from the predicted data, without considering heat transfer in the packages with low heat transfer. The above-mentioned result clearly shows that heat transfer should be considered to ensure accurate prediction of the stability of commercial pharmaceutical products under non-isothermal atmospheres.

Functional Connectivity Associated with Acoustic Stability During Vowel Production: Implications for Vocal-Motor Control

PubMed Central

2015-01-01

Abstract Vowels provide the acoustic foundation of communication through speech and song, but little is known about how the brain orchestrates their production. Positron emission tomography was used to study regional cerebral blood flow (rCBF) during sustained production of the vowel /a/. Acoustic and blood flow data from 13, normal, right-handed, native speakers of American English were analyzed to identify CBF patterns that predicted the stability of the first and second formants of this vowel. Formants are bands of resonance frequencies that provide vowel identity and contribute to voice quality. The results indicated that formant stability was directly associated with blood flow increases and decreases in both left- and right-sided brain regions. Secondary brain regions (those associated with the regions predicting formant stability) were more likely to have an indirect negative relationship with first formant variability, but an indirect positive relationship with second formant variability. These results are not definitive maps of vowel production, but they do suggest that the level of motor control necessary to produce stable vowels is reflected in the complexity of an underlying neural system. These results also extend a systems approach to functional image analysis, previously applied to normal and ataxic speech rate that is solely based on identifying patterns of brain activity associated with specific performance measures. Understanding the complex relationships between multiple brain regions and the acoustic characteristics of vocal stability may provide insight into the pathophysiology of the dysarthrias, vocal disorders, and other speech changes in neurological and psychiatric disorders. PMID:25295385

Cluster stability in the analysis of mass cytometry data.

PubMed

Melchiotti, Rossella; Gracio, Filipe; Kordasti, Shahram; Todd, Alan K; de Rinaldis, Emanuele

2017-01-01

Manual gating has been traditionally applied to cytometry data sets to identify cells based on protein expression. The advent of mass cytometry allows for a higher number of proteins to be simultaneously measured on cells, therefore providing a means to define cell clusters in a high dimensional expression space. This enhancement, whilst opening unprecedented opportunities for single cell-level analyses, makes the incremental replacement of manual gating with automated clustering a compelling need. To this aim many methods have been implemented and their successful applications demonstrated in different settings. However, the reproducibility of automatically generated clusters is proving challenging and an analytical framework to distinguish spurious clusters from more stable entities, and presumably more biologically relevant ones, is still missing. One way to estimate cell clusters' stability is the evaluation of their consistent re-occurrence within- and between-algorithms, a metric that is commonly used to evaluate results from gene expression. Herein we report the usage and importance of cluster stability evaluations, when applied to results generated from three popular clustering algorithms - SPADE, FLOCK and PhenoGraph - run on four different data sets. These algorithms were shown to generate clusters with various degrees of statistical stability, many of them being unstable. By comparing the results of automated clustering with manually gated populations, we illustrate how information on cluster stability can assist towards a more rigorous and informed interpretation of clustering results. We also explore the relationships between statistical stability and other properties such as clusters' compactness and isolation, demonstrating that whilst cluster stability is linked to other properties it cannot be reliably predicted by any of them. Our study proposes the introduction of cluster stability as a necessary checkpoint for cluster interpretation and contributes to the construction of a more systematic and standardized analytical framework for the assessment of cytometry clustering results. © 2016 International Society for Advancement of Cytometry. © 2016 International Society for Advancement of Cytometry.

Applications of Protein Thermodynamic Database for Understanding Protein Mutant Stability and Designing Stable Mutants.

PubMed

Gromiha, M Michael; Anoosha, P; Huang, Liang-Tsung

2016-01-01

Protein stability is the free energy difference between unfolded and folded states of a protein, which lies in the range of 5-25 kcal/mol. Experimentally, protein stability is measured with circular dichroism, differential scanning calorimetry, and fluorescence spectroscopy using thermal and denaturant denaturation methods. These experimental data have been accumulated in the form of a database, ProTherm, thermodynamic database for proteins and mutants. It also contains sequence and structure information of a protein, experimental methods and conditions, and literature information. Different features such as search, display, and sorting options and visualization tools have been incorporated in the database. ProTherm is a valuable resource for understanding/predicting the stability of proteins and it can be accessed at http://www.abren.net/protherm/ . ProTherm has been effectively used to examine the relationship among thermodynamics, structure, and function of proteins. We describe the recent progress on the development of methods for understanding/predicting protein stability, such as (1) general trends on mutational effects on stability, (2) relationship between the stability of protein mutants and amino acid properties, (3) applications of protein three-dimensional structures for predicting their stability upon point mutations, (4) prediction of protein stability upon single mutations from amino acid sequence, and (5) prediction methods for addressing double mutants. A list of online resources for predicting has also been provided.

Stabilization of electrically conducting capillary bridges using feedback control of radial electrostatic stresses and the shapes of extended bridges

NASA Astrophysics Data System (ADS)

Marr-Lyon, Mark J.; Thiessen, David B.; Blonigen, Florian J.; Marston, Philip L.

2000-05-01

Electrically conducting, cylindrical liquid bridges in a density-matched, electrically insulating bath were stabilized beyond the Rayleigh-Plateau (RP) limit using electrostatic stresses applied by concentric ring electrodes. A circular liquid cylinder of length L and radius R in real or simulated zero gravity becomes unstable when the slenderness S=L/2R exceeds π. The initial instability involves the growth of the so-called (2, 0) mode of the bridge in which one side becomes thin and the other side rotund. A mode-sensing optical system detects the growth of the (2, 0) mode and an analog feedback system applies the appropriate voltages to a pair of concentric ring electrodes positioned near the ends of the bridge in order to counter the growth of the (2, 0) mode and prevent breakup of the bridge. The conducting bridge is formed between metal disks which are grounded. Three feedback algorithms were tested and each found capable of stabilizing a bridge well beyond the RP limit. All three algorithms stabilized bridges having S as great as 4.3 and the extended bridges broke immediately when feedback was terminated. One algorithm was suitable for stabilization approaching S=4.493… where the (3, 0) mode is predicted to become unstable for cylindrical bridges. For that algorithm the equilibrium shapes of bridges that were slightly under or over inflated corresponded to solutions of the Young-Laplace equation with negligible electrostatic stresses. The electrical conductivity of the bridge liquid need not be large. The conductivity was associated with salt added to the aqueous bridge liquid.

Residual thermal stresses in composites for dimensionally stable spacecraft applications

NASA Technical Reports Server (NTRS)

Bowles, David E.; Tompkins, Stephen S.; Funk, Joan G.

1992-01-01

An overview of NASA LaRC's research on thermal residual stresses and their effect on the dimensional stability of carbon fiber reinforced polymer-matrix composites is presented. The data show that thermal residual stresses can induce damage in polymer matrix composites and significantly affect the dimensional stability of these composites by causing permanent residual strains and changes in CTE. The magnitude of these stresses is primarily controlled by the laminate configuration and the applied temperature change. The damage caused by thermal residual stresses initiates at the fiber/matrix interface and micromechanics level analyses are needed to accurately predict it. An increased understanding of fiber/matrix interface interactions appears to be the best approach for improving a composite's resistance to thermally induced damage.

A new method for the prediction of combustion instability

NASA Astrophysics Data System (ADS)

Flanagan, Steven Meville

This dissertation presents a new approach to the prediction of combustion instability in solid rocket motors. Previous attempts at developing computational tools to solve this problem have been largely unsuccessful, showing very poor agreement with experimental results and having little or no predictive capability. This is due primarily to deficiencies in the linear stability theory upon which these efforts have been based. Recent advances in linear instability theory by Flandro have demonstrated the importance of including unsteady rotational effects, previously considered negligible. Previous versions of the theory also neglected corrections to the unsteady flow field of the first order in the mean flow Mach number. This research explores the stability implications of extending the solution to include these corrections. Also, the corrected linear stability theory based upon a rotational unsteady flow field extended to first order in mean flow Mach number has been implemented in two computer programs developed for the Macintosh platform. A quasi one-dimensional version of the program has been developed which is based upon an approximate solution to the cavity acoustics problem. The three-dimensional program applies Greens's Function Discretization (GFD) to the solution for the acoustic mode shapes and frequency. GFD is a recently developed numerical method for finding fully three dimensional solutions for this class of problems. The analysis of complex motor geometries, previously a tedious and time consuming task, has also been greatly simplified through the development of a drawing package designed specifically to facilitate the specification of typical motor geometries. The combination of the drawing package, improved acoustic solutions, and new analysis, results in a tool which is capable of producing more accurate and meaningful predictions than have been possible in the past.

Stability and dynamics of the edge pedestal in the low collisionality regime: physics mechanisms for steady-state ELM-free operation

NASA Astrophysics Data System (ADS)

Snyder, P. B.; Burrell, K. H.; Wilson, H. R.; Chu, M. S.; Fenstermacher, M. E.; Leonard, A. W.; Moyer, R. A.; Osborne, T. H.; Umansky, M.; West, W. P.; Xu, X. Q.

2007-08-01

Understanding the physics of the edge pedestal and edge localized modes (ELMs) is of great importance for ITER and the optimization of the tokamak concept. The peeling-ballooning model has quantitatively explained many observations, including ELM onset and pedestal constraints, in the standard H-mode regime. The ELITE code has been developed to efficiently evaluate peeling-ballooning stability for comparison with observation and predictions for future devices. We briefly review recent progress in the peeling-ballooning model, including experimental validation of ELM onset and pedestal height predictions, and nonlinear 3D simulations of ELM dynamics, which together lead to an emerging understanding of the physics of the onset and dynamics of ELMs in the standard intermediate to high collisionality regime. We also discuss new studies of the apparent power dependence of the pedestal, and studies of the impact of sheared toroidal flow. Recently, highly promising low collisionality regimes without ELMs have been discovered, including the quiescent H-mode (QH) and resonant magnetic perturbation (RMP) regimes. We present recent observations from the DIII-D tokamak of the density, shape and rotation dependence of QH discharges, and studies of the peeling-ballooning stability in this regime. We propose a model of the QH-mode in which the observed edge harmonic oscillation (EHO) is a saturated kink/peeling mode which is destabilized by current and rotation, and drives significant transport, allowing a near steady-state edge plasma. The model quantitatively predicts the observed density dependence and qualitatively predicts observed mode structure, rotation dependence and outer gap dependence. Low density RMP discharges are found to operate in a similar regime, but with the EHO replaced by an applied magnetic perturbation.

Whirl Flutter Stability and Its Influence on the Design of the Distributed Electric Propeller Aircraft X- 57

NASA Technical Reports Server (NTRS)

Hoover, Christian B.; Shen, Jinwei; Kreshock, Andrew R.; Stanford, Bret K.; Piatak, David J.; Heeg, Jennifer

2017-01-01

This paper studies the whirl flutter stability of the NASA experimental electric propulsion aircraft designated the X-57 Maxwell. whirl flutter stability is studied at two flight conditions: sea level at 2700 RPM to represent take-off and landing and 8000 feet at 2250 RPM to represent cruise. Two multibody dynamics analyses are used: CAMRAD II and Dymore. The CAMRAD II model is a semi-span X-57 model with a modal representation for the wing/pylon system. The Dymore model is a semi-span wing with a propeller composed of beam elements for the wing/pylon system that airloads can be applied to. The two multibody dynamics analyses were verified by comparing structural properties between each other and the NASTRAN analysis. For whirl flutter, three design revisions of the wing and pylon mount system are studied. The predicted frequencies and damping ratio of the wing modes show good agreements between the two analyses. Dymore tended to predict a slightly lower damping ratio as velocity increased for all three dynamic modes presented. Whirl flutter for the semi-span model was not present up to 500 knots for the latest design, well above the operating range of the X-57.

Constrained model predictive control, state estimation and coordination

NASA Astrophysics Data System (ADS)

Yan, Jun

In this dissertation, we study the interaction between the control performance and the quality of the state estimation in a constrained Model Predictive Control (MPC) framework for systems with stochastic disturbances. This consists of three parts: (i) the development of a constrained MPC formulation that adapts to the quality of the state estimation via constraints; (ii) the application of such a control law in a multi-vehicle formation coordinated control problem in which each vehicle operates subject to a no-collision constraint posed by others' imperfect prediction computed from finite bit-rate, communicated data; (iii) the design of the predictors and the communication resource assignment problem that satisfy the performance requirement from Part (ii). Model Predictive Control (MPC) is of interest because it is one of the few control design methods which preserves standard design variables and yet handles constraints. MPC is normally posed as a full-state feedback control and is implemented in a certainty-equivalence fashion with best estimates of the states being used in place of the exact state. However, if the state constraints were handled in the same certainty-equivalence fashion, the resulting control law could drive the real state to violate the constraints frequently. Part (i) focuses on exploring the inclusion of state estimates into the constraints. It does this by applying constrained MPC to a system with stochastic disturbances. The stochastic nature of the problem requires re-posing the constraints in a probabilistic form. In Part (ii), we consider applying constrained MPC as a local control law in a coordinated control problem of a group of distributed autonomous systems. Interactions between the systems are captured via constraints. First, we inspect the application of constrained MPC to a completely deterministic case. Formation stability theorems are derived for the subsystems and conditions on the local constraint set are derived in order to guarantee local stability or convergence to a target state. If these conditions are met for all subsystems, then this stability is inherited by the overall system. For the case when each subsystem suffers from disturbances in the dynamics, own self-measurement noises, and quantization errors on neighbors' information due to the finite-bit-rate channels, the constrained MPC strategy developed in Part (i) is appropriate to apply. In Part (iii), we discuss the local predictor design and bandwidth assignment problem in a coordinated vehicle formation context. The MPC controller used in Part (ii) relates the formation control performance and the information quality in the way that large standoff implies conservative performance. We first develop an LMI (Linear Matrix Inequality) formulation for cross-estimator design in a simple two-vehicle scenario with non-standard information: one vehicle does not have access to the other's exact control value applied at each sampling time, but to its known, pre-computed, coupling linear feedback control law. Then a similar LMI problem is formulated for the bandwidth assignment problem that minimizes the total number of bits by adjusting the prediction gain matrices and the number of bits assigned to each variable. (Abstract shortened by UMI.)

Buffer-free therapeutic antibody preparations provide a viable alternative to conventionally buffered solutions: from protein buffer capacity prediction to bioprocess applications.

PubMed

Bahrenburg, Sven; Karow, Anne R; Garidel, Patrick

2015-04-01

Protein therapeutics, including monoclonal antibodies (mAbs), have significant buffering capacity, particularly at concentrations>50 mg/mL. This report addresses pH-related issues critical to adoption of self-buffered monoclonal antibody formulations. We evaluated solution conditions with protein concentrations ranging from 50 to 250 mg/mL. Samples were both buffer-free and conventionally buffered with citrate. Samples were non-isotonic or adjusted for isotonicity with NaCl or trehalose. Studies included accelerated temperature stability tests, shaking stability studies, and pH changes in infusion media as protein concentrate is added. We present averaged buffering slopes of capacity that can be applied to any mAb and present a general method for calculating buffering capacity of buffer-free, highly concentrated antibody liquid formulations. In temperature stability tests, neither buffer-free nor conventionally buffered solution conditions showed significant pH changes. Conventionally buffered solutions showed significantly higher opalescence than buffer-free ones. In general, buffer-free solution conditions showed less aggregation than conventionally buffered solutions. Shaking stability tests showed no differences between buffer-free and conventionally buffered solutions. "In-use" preparation experiments showed that pH in infusion bag medium can rapidly approximate that of self-buffered protein concentrate as concentrate is added. In summary, the buffer capacity of proteins can be predicted and buffer-free therapeutic antibody preparations provide a viable alternative to conventionally buffered solutions. Copyright © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The feasibility and stability of large complex biological networks: a random matrix approach.

PubMed

Stone, Lewi

2018-05-29

In the 70's, Robert May demonstrated that complexity creates instability in generic models of ecological networks having random interaction matrices A. Similar random matrix models have since been applied in many disciplines. Central to assessing stability is the "circular law" since it describes the eigenvalue distribution for an important class of random matrices A. However, despite widespread adoption, the "circular law" does not apply for ecological systems in which density-dependence operates (i.e., where a species growth is determined by its density). Instead one needs to study the far more complicated eigenvalue distribution of the community matrix S = DA, where D is a diagonal matrix of population equilibrium values. Here we obtain this eigenvalue distribution. We show that if the random matrix A is locally stable, the community matrix S = DA will also be locally stable, providing the system is feasible (i.e., all species have positive equilibria D > 0). This helps explain why, unusually, nearly all feasible systems studied here are locally stable. Large complex systems may thus be even more fragile than May predicted, given the difficulty of assembling a feasible system. It was also found that the degree of stability, or resilience of a system, depended on the minimum equilibrium population.

Rank Order Entropy: why one metric is not enough

PubMed Central

McLellan, Margaret R.; Ryan, M. Dominic; Breneman, Curt M.

2011-01-01

The use of Quantitative Structure-Activity Relationship models to address problems in drug discovery has a mixed history, generally resulting from the mis-application of QSAR models that were either poorly constructed or used outside of their domains of applicability. This situation has motivated the development of a variety of model performance metrics (r2, PRESS r2, F-tests, etc) designed to increase user confidence in the validity of QSAR predictions. In a typical workflow scenario, QSAR models are created and validated on training sets of molecules using metrics such as Leave-One-Out or many-fold cross-validation methods that attempt to assess their internal consistency. However, few current validation methods are designed to directly address the stability of QSAR predictions in response to changes in the information content of the training set. Since the main purpose of QSAR is to quickly and accurately estimate a property of interest for an untested set of molecules, it makes sense to have a means at hand to correctly set user expectations of model performance. In fact, the numerical value of a molecular prediction is often less important to the end user than knowing the rank order of that set of molecules according to their predicted endpoint values. Consequently, a means for characterizing the stability of predicted rank order is an important component of predictive QSAR. Unfortunately, none of the many validation metrics currently available directly measure the stability of rank order prediction, making the development of an additional metric that can quantify model stability a high priority. To address this need, this work examines the stabilities of QSAR rank order models created from representative data sets, descriptor sets, and modeling methods that were then assessed using Kendall Tau as a rank order metric, upon which the Shannon Entropy was evaluated as a means of quantifying rank-order stability. Random removal of data from the training set, also known as Data Truncation Analysis (DTA), was used as a means for systematically reducing the information content of each training set while examining both rank order performance and rank order stability in the face of training set data loss. The premise for DTA ROE model evaluation is that the response of a model to incremental loss of training information will be indicative of the quality and sufficiency of its training set, learning method, and descriptor types to cover a particular domain of applicability. This process is termed a “rank order entropy” evaluation, or ROE. By analogy with information theory, an unstable rank order model displays a high level of implicit entropy, while a QSAR rank order model which remains nearly unchanged during training set reductions would show low entropy. In this work, the ROE metric was applied to 71 data sets of different sizes, and was found to reveal more information about the behavior of the models than traditional metrics alone. Stable, or consistently performing models, did not necessarily predict rank order well. Models that performed well in rank order did not necessarily perform well in traditional metrics. In the end, it was shown that ROE metrics suggested that some QSAR models that are typically used should be discarded. ROE evaluation helps to discern which combinations of data set, descriptor set, and modeling methods lead to usable models in prioritization schemes, and provides confidence in the use of a particular model within a specific domain of applicability. PMID:21875058

Instability risk analysis and risk assessment system establishment of underground storage caverns in bedded salt rock

NASA Astrophysics Data System (ADS)

Jing, Wenjun; Zhao, Yan

2018-02-01

Stability is an important part of geotechnical engineering research. The operating experiences of underground storage caverns in salt rock all around the world show that the stability of the caverns is the key problem of safe operation. Currently, the combination of theoretical analysis and numerical simulation are the mainly adopts method of reserve stability analysis. This paper introduces the concept of risk into the stability analysis of underground geotechnical structure, and studies the instability of underground storage cavern in salt rock from the perspective of risk analysis. Firstly, the definition and classification of cavern instability risk is proposed, and the damage mechanism is analyzed from the mechanical angle. Then the main stability evaluating indicators of cavern instability risk are proposed, and an evaluation method of cavern instability risk is put forward. Finally, the established cavern instability risk assessment system is applied to the analysis and prediction of cavern instability risk after 30 years of operation in a proposed storage cavern group in the Huai’an salt mine. This research can provide a useful theoretical base for the safe operation and management of underground storage caverns in salt rock.

Theory of phase stabilities and bonding mechanisms in stoichiometric and substoichiometric molybdenum carbide

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

Hugosson, H.W.; Eriksson, O.; Nordstroem, L.

1999-10-01

First principles, total energy methods have been applied to predict the relative stabilities of the four experimentally verified MoC phases: the cubic {delta}(NaCl) phase and the three hexagonal {gamma}(WC), {eta} and {gamma}{sup {prime}}(TiAs) phases. The effect of vacancies on the relative stability of these four phases was investigated using a model structure with ordered vacancies within the carbon sublattice. For stoichiometric MoC, the {gamma} phase was found to be the most stable followed by {gamma}{sup {prime}}, {delta}, and {eta}, but for substoichiometric MoC{sub 0.75}, the order of relative stability was changed and the substoichiometric {delta} phase was found to havemore » the lowest energy followed by {gamma}{sup {prime}} and {gamma}. A study of the electronic structure revealed vacancy induced peaks in the density of state and the electron density attached to these peaks was analyzed and found to emanate from unscreened Mo{endash}Mo bonds through the carbon vacancy site. Finally, the oxygen stabilization of the {gamma}{sup {prime}} MoC phase was studied. {copyright} {ital 1999 American Institute of Physics.}« less

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

Lafontaine Rivera, Jimmy G.; Theisen, Matthew K.; Chen, Po-Wei

The product formation yield (product formed per unit substrate consumed) is often the most important performance indicator in metabolic engineering. Until now, the actual yield cannot be predicted, but it can be bounded by its maximum theoretical value. The maximum theoretical yield is calculated by considering the stoichiometry of the pathways and cofactor regeneration involved. Here in this paper we found that in many cases, dynamic stability becomes an issue when excessive pathway flux is drawn to a product. This constraint reduces the yield and renders the maximal theoretical yield too loose to be predictive. We propose a more realisticmore » quantity, defined as the kinetically accessible yield (KAY) to predict the maximum accessible yield for a given flux alteration. KAY is either determined by the point of instability, beyond which steady states become unstable and disappear, or a local maximum before becoming unstable. Thus, KAY is the maximum flux that can be redirected for a given metabolic engineering strategy without losing stability. Strictly speaking, calculation of KAY requires complete kinetic information. With limited or no kinetic information, an Ensemble Modeling strategy can be used to determine a range of likely values for KAY, including an average prediction. We first apply the KAY concept with a toy model to demonstrate the principle of kinetic limitations on yield. We then used a full-scale E. coli model (193 reactions, 153 metabolites) and this approach was successful in E. coli for predicting production of isobutanol: the calculated KAY values are consistent with experimental data for three genotypes previously published.« less

Thermoelastic Residual Stresses and Deformations at Laser Treatment

NASA Astrophysics Data System (ADS)

Gusarov, A. V.; Malakhova-Ziablova, I. S.; Pavlov, M. D.

A thermoelastic model implying relaxation of stresses at melting is applied for materials with arbitrary thermoelastic properties and the melting point. The range of Poisson's ratio 0.17 - 0.34 is numerically studied. The residual stresses are independent of the space scale. In narrow remelted zones and beads the maximum longitudinal tensile stress is approximately twice as high as the transverse one. The calculations predict cracking of alumina, even with 1600 oC preheating, plastic deformation or cracking of hard metal alloys H13 and TA6 V, and no destruction of polystyrene and thestrongest grades of quartz glass. The calculation results can be used for predicting the thermomechanical stability of materials at laser treatment.

Feature Selection Methods for Zero-Shot Learning of Neural Activity

PubMed Central

Caceres, Carlos A.; Roos, Matthew J.; Rupp, Kyle M.; Milsap, Griffin; Crone, Nathan E.; Wolmetz, Michael E.; Ratto, Christopher R.

2017-01-01

Dimensionality poses a serious challenge when making predictions from human neuroimaging data. Across imaging modalities, large pools of potential neural features (e.g., responses from particular voxels, electrodes, and temporal windows) have to be related to typically limited sets of stimuli and samples. In recent years, zero-shot prediction models have been introduced for mapping between neural signals and semantic attributes, which allows for classification of stimulus classes not explicitly included in the training set. While choices about feature selection can have a substantial impact when closed-set accuracy, open-set robustness, and runtime are competing design objectives, no systematic study of feature selection for these models has been reported. Instead, a relatively straightforward feature stability approach has been adopted and successfully applied across models and imaging modalities. To characterize the tradeoffs in feature selection for zero-shot learning, we compared correlation-based stability to several other feature selection techniques on comparable data sets from two distinct imaging modalities: functional Magnetic Resonance Imaging and Electrocorticography. While most of the feature selection methods resulted in similar zero-shot prediction accuracies and spatial/spectral patterns of selected features, there was one exception; A novel feature/attribute correlation approach was able to achieve those accuracies with far fewer features, suggesting the potential for simpler prediction models that yield high zero-shot classification accuracy. PMID:28690513

Stability of Gradient Field Corrections for Quantitative Diffusion MRI.

PubMed

Rogers, Baxter P; Blaber, Justin; Welch, E Brian; Ding, Zhaohua; Anderson, Adam W; Landman, Bennett A

2017-02-11

In magnetic resonance diffusion imaging, gradient nonlinearity causes significant bias in the estimation of quantitative diffusion parameters such as diffusivity, anisotropy, and diffusion direction in areas away from the magnet isocenter. This bias can be substantially reduced if the scanner- and coil-specific gradient field nonlinearities are known. Using a set of field map calibration scans on a large (29 cm diameter) phantom combined with a solid harmonic approximation of the gradient fields, we predicted the obtained b-values and applied gradient directions throughout a typical field of view for brain imaging for a typical 32-direction diffusion imaging sequence. We measured the stability of these predictions over time. At 80 mm from scanner isocenter, predicted b-value was 1-6% different than intended due to gradient nonlinearity, and predicted gradient directions were in error by up to 1 degree. Over the course of one month the change in these quantities due to calibration-related factors such as scanner drift and variation in phantom placement was <0.5% for b-values, and <0.5 degrees for angular deviation. The proposed calibration procedure allows the estimation of gradient nonlinearity to correct b-values and gradient directions ahead of advanced diffusion image processing for high angular resolution data, and requires only a five-minute phantom scan that can be included in a weekly or monthly quality assurance protocol.

Short-term stability studies of ampicillin and cephalexin in aqueous solution and human plasma: Application of least squares method in Arrhenius equation.

PubMed

do Nascimento, Ticiano Gomes; de Jesus Oliveira, Eduardo; Basílio Júnior, Irinaldo Diniz; de Araújo-Júnior, João Xavier; Macêdo, Rui Oliveira

2013-01-25

A limited number of studies with application of the Arrhenius equation have been reported to drugs and biopharmaceuticals in biological fluids at frozen temperatures. This paper describes stability studies of ampicillin and cephalexin in aqueous solution and human plasma applying the Arrhenius law for determination of adequate temperature and time of storage of these drugs using appropriate statistical analysis. Stability studies of the beta-lactams in human plasma were conducted at temperatures of 20°C, 2°C, -20°C and also during four cycles of freeze-thawing. Chromatographic separation was achieved using a Shimpak C(18) column, acetonitrile as organic modifier and detection at 215nm. LC-UV-MS/MS was used to demonstrate the conversion of ampicillin into two diastereomeric forms of ampicilloic acid. Stability studies demonstrated degradation greater than 10% for ampicillin in human plasma at 20°C, 2°C and -20°C after 15h, 2.7days, 11days and for cephalexin at the same temperatures after 14h, 3.4days and 19days, respectively, and after the fourth cycle of freezing-thawing. The Arrhenius plot showed good prediction for the ideal temperature and time of storage for ampicillin (52days) and cephalexin (151days) at a temperature of -40°C, but statistical analysis (least squares method) must be applied to avoid incorrect extrapolations and estimated values out uncertainty limits. Copyright © 2012 Elsevier B.V. All rights reserved.

Aeroelastic stability analyses of two counter rotating propfan designs for a cruise missile model

NASA Technical Reports Server (NTRS)

Mahajan, Aparajit J.; Lucero, John M.; Mehmed, Oral; Stefko, George L.

1992-01-01

Aeroelastic stability analyses were performed to insure structural integrity of two counterrotating propfan blade designs for a NAVY/Air Force/NASA cruise missile model wind tunnel test. This analysis predicted if the propfan designs would be flutter free at the operating conditions of the wind tunnel test. Calculated stability results are presented for the two blade designs with rotational speed and Mach number as the parameters. A aeroelastic analysis code ASTROP2 (Aeroelastic Stability and Response of Propulsion Systems - 2 Dimensional Analysis), developed at LeRC, was used in this project. The aeroelastic analysis is a modal method and uses the combination of a finite element structural model and two dimensional steady and unsteady cascade aerodynamic models. This code was developed to analyze single rotation propfans but was modified and applied to counterrotating propfans for the present work. Modifications were made to transform the geometry and rotation of the aft rotor to the same reference frame as the forward rotor, to input a non-uniform inflow into the rotor being analyzed, and to automatically converge to the least stable aeroelastic mode.

Evaluation of stability and viscosity measurement of emulsion from oil from production in northern oilfield in Thailand

NASA Astrophysics Data System (ADS)

Juntarasakul, O.; Maneeintr, K.

2018-04-01

Emulsion is normally present in oil due to the mixing occurring during oil recovery. The formation of emulsion can cause some problems in production and transportation. Viscosity and stability of emulsion play a key roles in oil transportation and separation to meet sales specification. Therefore, the aims of this research are to measure the viscosity of oil an emulsion and to evaluate the stability of emulsion of light oil from Fang oilfield in Thailand. The parameters of this study are temperature, shear rate and water cut ranging from 50 to 80 °C, 3.75 to 70 s-1 and 0 to 60%, respectively. These effects of parameters on viscosity and stability of emulsion are required for the design of the process and to increase oil production with various conditions. The results shows that viscosity decreases as temperature and shear rate increase. In contrast, viscosity becomes higher when water cut is lower. Furthermore, droplet sizes of water-in-oil emulsion at different conditions are investigated the stability of emulsion. The droplet sizes become smaller when high shear rate is applied and emulsion becomes more stable. Furthermore, correlations are developed to predict the viscosity and stability of the oil and emulsion from Thailand.

Kinematic measures for assessing gait stability in elderly individuals: a systematic review

PubMed Central

Hamacher, D.; Singh, N.B.; Van Dieën, J.H.; Heller, M.O.; Taylor, W.R.

2011-01-01

Falls not only present a considerable health threat, but the resulting treatment and loss of working days also place a heavy economic burden on society. Gait instability is a major fall risk factor, particularly in geriatric patients, and walking is one of the most frequent dynamic activities of daily living. To allow preventive strategies to become effective, it is therefore imperative to identify individuals with an unstable gait. Assessment of dynamic stability and gait variability via biomechanical measures of foot kinematics provides a viable option for quantitative evaluation of gait stability, but the ability of these methods to predict falls has generally not been assessed. Although various methods for assessing gait stability exist, their sensitivity and applicability in a clinical setting, as well as their cost-effectiveness, need verification. The objective of this systematic review was therefore to evaluate the sensitivity of biomechanical measures that quantify gait stability among elderly individuals and to evaluate the cost of measurement instrumentation required for application in a clinical setting. To assess gait stability, a comparative effect size (Cohen's d) analysis of variability and dynamic stability of foot trajectories during level walking was performed on 29 of an initial yield of 9889 articles from four electronic databases. The results of this survey demonstrate that linear variability of temporal measures of swing and stance was most capable of distinguishing between fallers and non-fallers, whereas step width and stride velocity prove more capable of discriminating between old versus young (OY) adults. In addition, while orbital stability measures (Floquet multipliers) applied to gait have been shown to distinguish between both elderly fallers and non-fallers as well as between young and old adults, local stability measures (λs) have been able to distinguish between young and old adults. Both linear and nonlinear measures of foot time series during gait seem to hold predictive ability in distinguishing healthy from fall-prone elderly adults. In conclusion, biomechanical measurements offer promise for identifying individuals at risk of falling and can be obtained with relatively low-cost tools. Incorporation of the most promising measures in combined retrospective and prospective studies for understanding fall risk and designing preventive strategies is warranted. PMID:21880615

Kinematic measures for assessing gait stability in elderly individuals: a systematic review.

PubMed

Hamacher, D; Singh, N B; Van Dieën, J H; Heller, M O; Taylor, W R

2011-12-07

Falls not only present a considerable health threat, but the resulting treatment and loss of working days also place a heavy economic burden on society. Gait instability is a major fall risk factor, particularly in geriatric patients, and walking is one of the most frequent dynamic activities of daily living. To allow preventive strategies to become effective, it is therefore imperative to identify individuals with an unstable gait. Assessment of dynamic stability and gait variability via biomechanical measures of foot kinematics provides a viable option for quantitative evaluation of gait stability, but the ability of these methods to predict falls has generally not been assessed. Although various methods for assessing gait stability exist, their sensitivity and applicability in a clinical setting, as well as their cost-effectiveness, need verification. The objective of this systematic review was therefore to evaluate the sensitivity of biomechanical measures that quantify gait stability among elderly individuals and to evaluate the cost of measurement instrumentation required for application in a clinical setting. To assess gait stability, a comparative effect size (Cohen's d) analysis of variability and dynamic stability of foot trajectories during level walking was performed on 29 of an initial yield of 9889 articles from four electronic databases. The results of this survey demonstrate that linear variability of temporal measures of swing and stance was most capable of distinguishing between fallers and non-fallers, whereas step width and stride velocity prove more capable of discriminating between old versus young (OY) adults. In addition, while orbital stability measures (Floquet multipliers) applied to gait have been shown to distinguish between both elderly fallers and non-fallers as well as between young and old adults, local stability measures (λs) have been able to distinguish between young and old adults. Both linear and nonlinear measures of foot time series during gait seem to hold predictive ability in distinguishing healthy from fall-prone elderly adults. In conclusion, biomechanical measurements offer promise for identifying individuals at risk of falling and can be obtained with relatively low-cost tools. Incorporation of the most promising measures in combined retrospective and prospective studies for understanding fall risk and designing preventive strategies is warranted.

Humidity-corrected Arrhenius equation: The reference condition approach.

PubMed

Naveršnik, Klemen; Jurečič, Rok

2016-03-16

Accelerated and stress stability data is often used to predict shelf life of pharmaceuticals. Temperature, combined with humidity accelerates chemical decomposition and the Arrhenius equation is used to extrapolate accelerated stability results to long-term stability. Statistical estimation of the humidity-corrected Arrhenius equation is not straightforward due to its non-linearity. A two stage nonlinear fitting approach is used in practice, followed by a prediction stage. We developed a single-stage statistical procedure, called the reference condition approach, which has better statistical properties (less collinearity, direct estimation of uncertainty, narrower prediction interval) and is significantly easier to use, compared to the existing approaches. Our statistical model was populated with data from a 35-day stress stability study on a laboratory batch of vitamin tablets and required mere 30 laboratory assay determinations. The stability prediction agreed well with the actual 24-month long term stability of the product. The approach has high potential to assist product formulation, specification setting and stability statements. Copyright © 2016 Elsevier B.V. All rights reserved.

The application of electrochemistry to pharmaceutical stability testing--comparison with in silico prediction and chemical forced degradation approaches.

PubMed

Torres, Susana; Brown, Roland; Szucs, Roman; Hawkins, Joel M; Zelesky, Todd; Scrivens, Garry; Pettman, Alan; Taylor, Mark R

2015-11-10

The aim of this study was to evaluate the use of electrochemistry to generate oxidative degradation products of a model pharmaceutical compound. The compound was oxidized at different potentials using an electrochemical flow-cell fitted with a glassy carbon working electrode, a Pd/H2 reference electrode and a titanium auxiliary electrode. The oxidative products formed were identified and structurally characterized by LC-ESI-MS/MS using a high resolution Q-TOF mass spectrometer. Results from electrochemical oxidation using electrolytes of different pH were compared to those from chemical oxidation and from accelerated stability studies. Additionally, oxidative degradation products predicted using an in silico commercially available software were compared to those obtained from the various experimental methods. The electrochemical approach proved to be useful as an oxidative stress test as all of the final oxidation products observed under accelerated stability studies could be generated; previously reported reactive intermediate species were not observed most likely because the electrochemical mechanism differs from the oxidative pathway followed under accelerated stability conditions. In comparison to chemical degradation tests electrochemical degradation has the advantage of being much faster and does not require the use of strong oxidizing agents. Moreover, it enables the study of different operating parameters in short periods of time and optimisation of the reaction conditions (pH and applied potential) to achieve different oxidative products mixtures. This technique may prove useful as a stress test condition for the generation of oxidative degradation products and may help accelerate structure elucidation and development of stability indicating analytical methods. Copyright © 2015 Elsevier B.V. All rights reserved.

Learning and Control Model of the Arm for Loading

NASA Astrophysics Data System (ADS)

Kim, Kyoungsik; Kambara, Hiroyuki; Shin, Duk; Koike, Yasuharu

We propose a learning and control model of the arm for a loading task in which an object is loaded onto one hand with the other hand, in the sagittal plane. Postural control during object interactions provides important points to motor control theories in terms of how humans handle dynamics changes and use the information of prediction and sensory feedback. For the learning and control model, we coupled a feedback-error-learning scheme with an Actor-Critic method used as a feedback controller. To overcome sensory delays, a feedforward dynamics model (FDM) was used in the sensory feedback path. We tested the proposed model in simulation using a two-joint arm with six muscles, each with time delays in muscle force generation. By applying the proposed model to the loading task, we showed that motor commands started increasing, before an object was loaded on, to stabilize arm posture. We also found that the FDM contributes to the stabilization by predicting how the hand changes based on contexts of the object and efferent signals. For comparison with other computational models, we present the simulation results of a minimum-variance model.

A comparative analysis of simulated and observed landslide locations triggered by Hurricane Camille in Nelson County, Virginia

USGS Publications Warehouse

Morrissey, M.M.; Wieczorek, G.F.; Morgan, B.A.

2008-01-01

In 1969, Nelson County, Virginia received up to 71 cm of rain within 12 h starting at 7 p.m. on August 19. The total rainfall from the storm exceeded the 1000-year return period in the region. Several thousands of landslides were induced by rainfall associated with Hurricane Camille causing fatalities and destroying infrastructure. We apply a distributed transient response model for regional slope stability analysis to shallow landslides. Initiation points of over 3000 debris flows and effects of flooding from this storm are applied to the model. Geotechnical data used in the calculations are published data from samples of colluvium. Results from these calculations are compared with field observations such as landslide trigger location and timing of debris flows to assess how well the model predicts the spatial and temporal distribution. of landslide initiation locations. The model predicts many of the initiation locations in areas where debris flows are observed. Copyright ?? 2007 John Wiley & Sons, Ltd.

Reynolds-Stress and Triple-Product Models Applied to a Flow with Rotation and Curvature

NASA Technical Reports Server (NTRS)

Olsen, Michael E.

2016-01-01

Turbulence models, with increasing complexity, up to triple product terms, are applied to the flow in a rotating pipe. The rotating pipe is a challenging case for turbulence models as it contains significant rotational and curvature effects. The flow field starts with the classic fully developed pipe flow, with a stationary pipe wall. This well defined condition is then subjected to a section of pipe with a rotating wall. The rotating wall introduces a second velocity scale, and creates Reynolds shear stresses in the radial-circumferential and circumferential-axial planes. Furthermore, the wall rotation introduces a flow stabilization, and actually reduces the turbulent kinetic energy as the flow moves along the rotating wall section. It is shown in the present work that the Reynolds stress models are capable of predicting significant reduction in the turbulent kinetic energy, but triple product improves the predictions of the centerline turbulent kinetic energy, which is governed by convection, dissipation and transport terms, as the production terms vanish on the pipe axis.

Bias and Stability of Single Variable Classifiers for Feature Ranking and Selection

PubMed Central

Fakhraei, Shobeir; Soltanian-Zadeh, Hamid; Fotouhi, Farshad

2014-01-01

Feature rankings are often used for supervised dimension reduction especially when discriminating power of each feature is of interest, dimensionality of dataset is extremely high, or computational power is limited to perform more complicated methods. In practice, it is recommended to start dimension reduction via simple methods such as feature rankings before applying more complex approaches. Single Variable Classifier (SVC) ranking is a feature ranking based on the predictive performance of a classifier built using only a single feature. While benefiting from capabilities of classifiers, this ranking method is not as computationally intensive as wrappers. In this paper, we report the results of an extensive study on the bias and stability of such feature ranking method. We study whether the classifiers influence the SVC rankings or the discriminative power of features themselves has a dominant impact on the final rankings. We show the common intuition of using the same classifier for feature ranking and final classification does not always result in the best prediction performance. We then study if heterogeneous classifiers ensemble approaches provide more unbiased rankings and if they improve final classification performance. Furthermore, we calculate an empirical prediction performance loss for using the same classifier in SVC feature ranking and final classification from the optimal choices. PMID:25177107

Bias and Stability of Single Variable Classifiers for Feature Ranking and Selection.

PubMed

Fakhraei, Shobeir; Soltanian-Zadeh, Hamid; Fotouhi, Farshad

2014-11-01

Feature rankings are often used for supervised dimension reduction especially when discriminating power of each feature is of interest, dimensionality of dataset is extremely high, or computational power is limited to perform more complicated methods. In practice, it is recommended to start dimension reduction via simple methods such as feature rankings before applying more complex approaches. Single Variable Classifier (SVC) ranking is a feature ranking based on the predictive performance of a classifier built using only a single feature. While benefiting from capabilities of classifiers, this ranking method is not as computationally intensive as wrappers. In this paper, we report the results of an extensive study on the bias and stability of such feature ranking method. We study whether the classifiers influence the SVC rankings or the discriminative power of features themselves has a dominant impact on the final rankings. We show the common intuition of using the same classifier for feature ranking and final classification does not always result in the best prediction performance. We then study if heterogeneous classifiers ensemble approaches provide more unbiased rankings and if they improve final classification performance. Furthermore, we calculate an empirical prediction performance loss for using the same classifier in SVC feature ranking and final classification from the optimal choices.

Chlorine truck attack consequences and mitigation.

PubMed

Barrett, Anthony Michael; Adams, Peter J

2011-08-01

We develop and apply an integrated modeling system to estimate fatalities from intentional release of 17 tons of chlorine from a tank truck in a generic urban area. A public response model specifies locations and actions of the populace. A chemical source term model predicts initial characteristics of the chlorine vapor and aerosol cloud. An atmospheric dispersion model predicts cloud spreading and movement. A building air exchange model simulates movement of chlorine from outdoors into buildings at each location. A dose-response model translates chlorine exposures into predicted fatalities. Important parameters outside defender control include wind speed, atmospheric stability class, amount of chlorine released, and dose-response model parameters. Without fast and effective defense response, with 2.5 m/sec wind and stability class F, we estimate approximately 4,000 (half within ∼10 minutes) to 30,000 fatalities (half within ∼20 minutes), depending on dose-response model. Although we assume 7% of the population was outdoors, they represent 60-90% of fatalities. Changing weather conditions result in approximately 50-90% lower total fatalities. Measures such as sheltering in place, evacuation, and use of security barriers and cryogenic storage can reduce fatalities, sometimes by 50% or more, depending on response speed and other factors. © 2011 Society for Risk Analysis.

A comparison of biophysical characterization techniques in predicting monoclonal antibody stability.

PubMed

Thiagarajan, Geetha; Semple, Andrew; James, Jose K; Cheung, Jason K; Shameem, Mohammed

2016-01-01

With the rapid growth of biopharmaceutical product development, knowledge of therapeutic protein stability has become increasingly important. We evaluated assays that measure solution-mediated interactions and key molecular characteristics of 9 formulated monoclonal antibody (mAb) therapeutics, to predict their stability behavior. Colloidal interactions, self-association propensity and conformational stability were measured using effective surface charge via zeta potential, diffusion interaction parameter (kD) and differential scanning calorimetry (DSC), respectively. The molecular features of all 9 mAbs were compared to their stability at accelerated (25°C and 40°C) and long-term storage conditions (2-8°C) as measured by size exclusion chromatography. At accelerated storage conditions, the majority of the mAbs in this study degraded via fragmentation rather than aggregation. Our results show that colloidal stability, self-association propensity and conformational characteristics (exposed tryptophan) provide reasonable prediction of accelerated stability, with limited predictive value at 2-8°C stability. While no correlations to stability behavior were observed with onset-of-melting temperatures or domain unfolding temperatures, by DSC, melting of the Fab domain with the CH2 domain suggests lower stability at stressed conditions. The relevance of identifying appropriate biophysical assays based on the primary degradation pathways is discussed.

On-Line Robust Modal Stability Prediction using Wavelet Processing

NASA Technical Reports Server (NTRS)

Brenner, Martin J.; Lind, Rick

1998-01-01

Wavelet analysis for filtering and system identification has been used to improve the estimation of aeroservoelastic stability margins. The conservatism of the robust stability margins is reduced with parametric and nonparametric time- frequency analysis of flight data in the model validation process. Nonparametric wavelet processing of data is used to reduce the effects of external disturbances and unmodeled dynamics. Parametric estimates of modal stability are also extracted using the wavelet transform. Computation of robust stability margins for stability boundary prediction depends on uncertainty descriptions derived from the data for model validation. The F-18 High Alpha Research Vehicle aeroservoelastic flight test data demonstrates improved robust stability prediction by extension of the stability boundary beyond the flight regime. Guidelines and computation times are presented to show the efficiency and practical aspects of these procedures for on-line implementation. Feasibility of the method is shown for processing flight data from time- varying nonstationary test points.

Absolute Stability Analysis of a Phase Plane Controlled Spacecraft

NASA Technical Reports Server (NTRS)

Jang, Jiann-Woei; Plummer, Michael; Bedrossian, Nazareth; Hall, Charles; Jackson, Mark; Spanos, Pol

2010-01-01

Many aerospace attitude control systems utilize phase plane control schemes that include nonlinear elements such as dead zone and ideal relay. To evaluate phase plane control robustness, stability margin prediction methods must be developed. Absolute stability is extended to predict stability margins and to define an abort condition. A constrained optimization approach is also used to design flex filters for roll control. The design goal is to optimize vehicle tracking performance while maintaining adequate stability margins. Absolute stability is shown to provide satisfactory stability constraints for the optimization.

Laboratory evaluation of the pointing stability of the ASPS Vernier System

NASA Technical Reports Server (NTRS)

1980-01-01

The annular suspension and pointing system (ASPS) is an end-mount experiment pointing system designed for use in the space shuttle. The results of the ASPS Vernier System (AVS) pointing stability tests conducted in a laboratory environment are documented. A simulated zero-G suspension was used to support the test payload in the laboratory. The AVS and the suspension were modelled and incorporated into a simulation of the laboratory test. Error sources were identified and pointing stability sensitivities were determined via simulation. Statistical predictions of laboratory test performance were derived and compared to actual laboratory test results. The predicted mean pointing stability during simulated shuttle disturbances was 1.22 arc seconds; the actual mean laboratory test pointing stability was 1.36 arc seconds. The successful prediction of laboratory test results provides increased confidence in the analytical understanding of the AVS magnetic bearing technology and allows confident prediction of in-flight performance. Computer simulations of ASPS, operating in the shuttle disturbance environment, predict in-flight pointing stability errors less than 0.01 arc seconds.

An Analysis of the Optimal Control Modification Method Applied to Flutter Suppression

NASA Technical Reports Server (NTRS)

Drew, Michael; Nguyen, Nhan T.; Hashemi, Kelley E.; Ting, Eric; Chaparro, Daniel

2017-01-01

Unlike basic Model Reference Adaptive Control (MRAC)l, Optimal Control Modification (OCM) has been shown to be a promising MRAC modification with robustness and analytical properties not present in other adaptive control methods. This paper presents an analysis of the OCM method, and how the asymptotic property of OCM is useful for analyzing and tuning the controller. We begin with a Lyapunov stability proof of an OCM controller having two adaptive gain terms, then the less conservative and easily analyzed OCM asymptotic property is presented. Two numerical examples are used to show how this property can accurately predict steady state stability and quantitative robustness in the presence of time delay, and relative to linear plant perturbations, and nominal Loop Transfer Recovery (LTR) tuning. The asymptotic property of the OCM controller is then used as an aid in tuning the controller applied to a large scale aeroservoelastic longitudinal aircraft model for flutter suppression. Control with OCM adaptive augmentation is shown to improve performance over that of the nominal non-adaptive controller when significant disparities exist between the controller/observer model and the true plant model.

Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

NASA Astrophysics Data System (ADS)

Shadid, J. N.; Smith, T. M.; Cyr, E. C.; Wildey, T. M.; Pawlowski, R. P.

2016-09-01

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. In this respect the understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In this study we report on initial efforts to apply integrated adjoint-based computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier-Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. Initial results are presented that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.

Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

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

Shadid, J.N., E-mail: jnshadi@sandia.gov; Department of Mathematics and Statistics, University of New Mexico; Smith, T.M.

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. In this respect the understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In this study we report on initial efforts tomore » apply integrated adjoint-based computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier–Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. Initial results are presented that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.« less

Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

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

Shadid, J. N.; Smith, T. M.; Cyr, E. C.

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. The understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In our study we report on initial efforts to apply integrated adjoint-basedmore » computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier–Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. We present the initial results that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.« less

Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

DOE PAGES

Shadid, J. N.; Smith, T. M.; Cyr, E. C.; ...

2016-05-20

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. The understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In our study we report on initial efforts to apply integrated adjoint-basedmore » computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier–Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. We present the initial results that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.« less

Thermal barrier coating life-prediction model development

NASA Technical Reports Server (NTRS)

Strangman, T. E.; Neumann, J.; Liu, A.

1986-01-01

The program focuses on predicting the lives of two types of strain-tolerant and oxidation-resistant thermal barrier coating (TBC) systems that are produced by commercial coating suppliers to the gas turbine industry. The plasma-sprayed TBC system, composed of a low-pressure plasma-spray (LPPS) or an argon shrouded plasma-spray (ASPS) applied oxidation resistant NiCrAlY or (CoNiCrAlY) bond coating and an air-plasma-sprayed yttria partially stabilized zirconia insulative layer, is applied by both Chromalloy, Klock, and Union Carbide. The second type of TBS is applied by the electron beam-physical vapor deposition (EB-PVD) process by Temescal. The second year of the program was focused on specimen procurement, TMC system characterization, nondestructive evaluation methods, life prediction model development, and TFE731 engine testing of thermal barrier coated blades. Materials testing is approaching completion. Thermomechanical characterization of the TBC systems, with toughness, and spalling strain tests, was completed. Thermochemical testing is approximately two-thirds complete. Preliminary materials life models for the bond coating oxidation and zirconia sintering failure modes were developed. Integration of these life models with airfoil component analysis methods is in progress. Testing of high pressure turbine blades coated with the program TBS systems is in progress in a TFE731 turbofan engine. Eddy current technology feasibility was established with respect to nondestructively measuring zirconia layer thickness of a TBC system.

Paroxysmal atrial fibrillation prediction method with shorter HRV sequences.

PubMed

Boon, K H; Khalil-Hani, M; Malarvili, M B; Sia, C W

2016-10-01

This paper proposes a method that predicts the onset of paroxysmal atrial fibrillation (PAF), using heart rate variability (HRV) segments that are shorter than those applied in existing methods, while maintaining good prediction accuracy. PAF is a common cardiac arrhythmia that increases the health risk of a patient, and the development of an accurate predictor of the onset of PAF is clinical important because it increases the possibility to stabilize (electrically) and prevent the onset of atrial arrhythmias with different pacing techniques. We investigate the effect of HRV features extracted from different lengths of HRV segments prior to PAF onset with the proposed PAF prediction method. The pre-processing stage of the predictor includes QRS detection, HRV quantification and ectopic beat correction. Time-domain, frequency-domain, non-linear and bispectrum features are then extracted from the quantified HRV. In the feature selection, the HRV feature set and classifier parameters are optimized simultaneously using an optimization procedure based on genetic algorithm (GA). Both full feature set and statistically significant feature subset are optimized by GA respectively. For the statistically significant feature subset, Mann-Whitney U test is used to filter non-statistical significance features that cannot pass the statistical test at 20% significant level. The final stage of our predictor is the classifier that is based on support vector machine (SVM). A 10-fold cross-validation is applied in performance evaluation, and the proposed method achieves 79.3% prediction accuracy using 15-minutes HRV segment. This accuracy is comparable to that achieved by existing methods that use 30-minutes HRV segments, most of which achieves accuracy of around 80%. More importantly, our method significantly outperforms those that applied segments shorter than 30 minutes. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Thermal barrier coating life-prediction model development

NASA Technical Reports Server (NTRS)

Strangman, T. E.; Neumann, J.

1985-01-01

Life predictions are made for two types of strain-tolerant and oxidation-resistant Thermal Barrier Coating (TBC) systems produced by commercial coating suppliers to the gas turbine industry. The plasma-sprayed TBC system, composed of a low-pressure plasma spray (LPPS) applied oxidation-resistant NiCrAlY bond coating and an air-plasma-sprayed yttria (8 percent) partially stabilized zirconia insulative layer, is applied by both Chromalloy and Klock. The second type of TBC is applied by the electron-beam/physical vapor deposition process by Temescal. Thermomechanical and thermochemical testing of the program TBCs is in progress. A number of the former tests has been completed. Fracture mechanics data for the Chromalloy plasma-sprayed TBC system indicate that the cohesive toughness of the zirconia layer is increased by thermal cycling and reduced by high temperature exposure at 1150 C. Eddy current technology feasibility has been established with respect to nondestructively measuring zirconia layer thickness of a TBC system. High pressure turbine blades have been coated with program TBC systems for a piggyback test in a TFE731-5 turbofan factory engine test. Data from this test will be used to validate the TBC life models.

Validation of the thermal transport model used for ITER startup scenario predictions with DIII-D experimental data

DOE PAGES

Casper, T. A.; Meyer, W. H.; Jackson, G. L.; ...

2010-12-08

We are exploring characteristics of ITER startup scenarios in similarity experiments conducted on the DIII-D Tokamak. In these experiments, we have validated scenarios for the ITER current ramp up to full current and developed methods to control the plasma parameters to achieve stability. Predictive simulations of ITER startup using 2D free-boundary equilibrium and 1D transport codes rely on accurate estimates of the electron and ion temperature profiles that determine the electrical conductivity and pressure profiles during the current rise. Here we present results of validation studies that apply the transport model used by the ITER team to DIII-D discharge evolutionmore » and comparisons with data from our similarity experiments.« less

Internal Progressive Failure in Deep-Seated Landslides

NASA Astrophysics Data System (ADS)

Yerro, Alba; Pinyol, Núria M.; Alonso, Eduardo E.

2016-06-01

Except for simple sliding motions, the stability of a slope does not depend only on the resistance of the basal failure surface. It is affected by the internal distortion of the moving mass, which plays an important role on the stability and post-failure behaviour of a landslide. The paper examines the stability conditions and the post-failure behaviour of a compound landslide whose geometry is inspired by one of the representative cross-sections of Vajont landslide. The brittleness of the mobilized rock mass was described by a strain-softening Mohr-Coulomb model, whose parameters were derived from previous contributions. The analysis was performed by means of a MPM computer code, which is capable of modelling the whole instability procedure in a unified calculation. The gravity action has been applied to initialize the stress state. This step mobilizes part of the strength along a shearing band located just above the kink of the basal surface, leading to the formation a kinematically admissible mechanism. The overall instability is triggered by an increase of water level. The increase of pore water pressures reduces the effective stresses within the slope and it leads to a progressive failure mechanism developing along an internal shearing band which controls the stability of the compound slope. The effect of the basal shearing resistance has been analysed during the post-failure stage. If no shearing strength is considered (as predicted by a thermal pressurization analysis), the model predicts a response similar to actual observations, namely a maximum sliding velocity of 25 m/s and a run-out close to 500 m.

Kinetically accessible yield (KAY) for redirection of metabolism to produce exo-metabolites

DOE PAGES

Lafontaine Rivera, Jimmy G.; Theisen, Matthew K.; Chen, Po-Wei; ...

2017-04-05

The product formation yield (product formed per unit substrate consumed) is often the most important performance indicator in metabolic engineering. Until now, the actual yield cannot be predicted, but it can be bounded by its maximum theoretical value. The maximum theoretical yield is calculated by considering the stoichiometry of the pathways and cofactor regeneration involved. Here in this paper we found that in many cases, dynamic stability becomes an issue when excessive pathway flux is drawn to a product. This constraint reduces the yield and renders the maximal theoretical yield too loose to be predictive. We propose a more realisticmore » quantity, defined as the kinetically accessible yield (KAY) to predict the maximum accessible yield for a given flux alteration. KAY is either determined by the point of instability, beyond which steady states become unstable and disappear, or a local maximum before becoming unstable. Thus, KAY is the maximum flux that can be redirected for a given metabolic engineering strategy without losing stability. Strictly speaking, calculation of KAY requires complete kinetic information. With limited or no kinetic information, an Ensemble Modeling strategy can be used to determine a range of likely values for KAY, including an average prediction. We first apply the KAY concept with a toy model to demonstrate the principle of kinetic limitations on yield. We then used a full-scale E. coli model (193 reactions, 153 metabolites) and this approach was successful in E. coli for predicting production of isobutanol: the calculated KAY values are consistent with experimental data for three genotypes previously published.« less

Two-Relaxation-Time Lattice Boltzmann Method for Advective-Diffusive-Reactive Transport

NASA Astrophysics Data System (ADS)

Yan, Z.; Hilpert, M.

2016-12-01

The lattice Boltzmann method (LBM) has been applied to study a wide range of reactive transport in porous and fractured media. The single-relaxation-time (SRT) LBM, employing single relaxation time, is the most popular LBM due to its simplicity of understanding and implementation. Nevertheless, the SRT LBM may suffer from numerical instability for small value of the relaxation time. By contrast, the multiple-relaxation-time (MRT) LBM, employing multiple relaxation times, can improve the numerical stability through tuning the multiple relaxation times, but the complexity of implementing this method restricts its applications. The two-relaxation-time (TRT) LBM, which employs two relaxation times, combines the advantages of SRT and MRT LBMs. The TRT LBM can produce simulations with better accuracy and stability than the SRT one, and is easier to implement than the MRT one. This work evaluated the numerical accuracy and stability of the TRT method by comparing the simulation results with analytical solutions of Gaussian hill transport and Taylor dispersion under different advective velocities. The accuracy generally increased with the tunable relaxation time τ, and the stability first increased and then decreased as τ increased, showing an optimal TRT method emerging the best numerical stability. The free selection of τ enabled the TRT LBM to simulate the Gaussian hill transport and Taylor dispersion under relatively high advective velocity, under which the SRT LBM suffered from numerical instability. Finally, the TRT method was applied to study the contaminant degradation by chemotactic microorganisms in porous media, which acted as a reprehensive of reactive transport in this study, and well predicted the evolution of microorganisms and degradation of contaminants for different transport scenarios. To sum up, the TRT LBM produced simulation results with good accuracy and stability for various advective-diffusive-reactive transport through tuning the relaxation time τ, illustrating its potential to study various biogeochemical behaviors in the subsurface environment.

Does a crouched leg posture enhance running stability and robustness?

PubMed

Blum, Yvonne; Birn-Jeffery, Aleksandra; Daley, Monica A; Seyfarth, Andre

2011-07-21

Humans and birds both walk and run bipedally on compliant legs. However, differences in leg architecture may result in species-specific leg control strategies as indicated by the observed gait patterns. In this work, control strategies for stable running are derived based on a conceptual model and compared with experimental data on running humans and pheasants (Phasianus colchicus). From a model perspective, running with compliant legs can be represented by the planar spring mass model and stabilized by applying swing leg control. Here, linear adaptations of the three leg parameters, leg angle, leg length and leg stiffness during late swing phase are assumed. Experimentally observed kinematic control parameters (leg rotation and leg length change) of human and avian running are compared, and interpreted within the context of this model, with specific focus on stability and robustness characteristics. The results suggest differences in stability characteristics and applied control strategies of human and avian running, which may relate to differences in leg posture (straight leg posture in humans, and crouched leg posture in birds). It has been suggested that crouched leg postures may improve stability. However, as the system of control strategies is overdetermined, our model findings suggest that a crouched leg posture does not necessarily enhance running stability. The model also predicts different leg stiffness adaptation rates for human and avian running, and suggests that a crouched avian leg posture, which is capable of both leg shortening and lengthening, allows for stable running without adjusting leg stiffness. In contrast, in straight-legged human running, the preparation of the ground contact seems to be more critical, requiring leg stiffness adjustment to remain stable. Finally, analysis of a simple robustness measure, the normalized maximum drop, suggests that the crouched leg posture may provide greater robustness to changes in terrain height. Copyright © 2011 Elsevier Ltd. All rights reserved.

An eco-friendly direct spectrofluorimetric method for the determination of irreversible tyrosine kinase inhibitors, neratinib and pelitinib: application to stability studies.

PubMed

Maher, H M; Alzoman, N Z; Shehata, S M

2017-03-01

A new rapid and simple stability-indicating spectrofluorimetric method has been developed for the determination of two irreversible tyrosine kinase inhibitors (TKIs), neratinib (NER) and pelitinib (PEL). The method is based upon measurement of the native fluorescence intensity of both drugs at λ ex 270 nm in aqueous borate buffer solutions (pH 10.5). The fluorescence intensity recorded at 545 nm (NER) and 465 nm (PEL) were rectilinear over the concentration range of 0.1-10 μg/mL for both drugs with a high correlation coefficient (r > 0.999). The proposed method provided low limits of detection and of quantitation of 0.07, 0.11 μg/mL (NER) and 0.02, 0.05 μg/mL (PEL), respectively. The method was successfully applied for the determination of NER and PEL in bulk powder. The proposed methods were fully validated as per the International Conference on Harmonisation (ICH) guidelines. The application of the method was extended to stability studies of both NER and PEL under different forced-degradation conditions (acidic-induced, base-induced, oxidative, wet heat, and photolytic degradation). Moreover, the kinetics of the base-induced and oxidative degradation of both drugs was investigated and the pseudo-first-order rate constants and half-lives were estimated at different temperatures. Also, an Arrhenius plot was applied to predict the stability behaviour of the two drugs at room temperature. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

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.

Robustness for slope stability modelling under deep uncertainty

NASA Astrophysics Data System (ADS)

Almeida, Susana; Holcombe, Liz; Pianosi, Francesca; Wagener, Thorsten

2015-04-01

Landslides can have large negative societal and economic impacts, such as loss of life and damage to infrastructure. However, the ability of slope stability assessment to guide management is limited by high levels of uncertainty in model predictions. Many of these uncertainties cannot be easily quantified, such as those linked to climate change and other future socio-economic conditions, restricting the usefulness of traditional decision analysis tools. Deep uncertainty can be managed more effectively by developing robust, but not necessarily optimal, policies that are expected to perform adequately under a wide range of future conditions. Robust strategies are particularly valuable when the consequences of taking a wrong decision are high as is often the case of when managing natural hazard risks such as landslides. In our work a physically based numerical model of hydrologically induced slope instability (the Combined Hydrology and Stability Model - CHASM) is applied together with robust decision making to evaluate the most important uncertainties (storm events, groundwater conditions, surface cover, slope geometry, material strata and geotechnical properties) affecting slope stability. Specifically, impacts of climate change on long-term slope stability are incorporated, accounting for the deep uncertainty in future climate projections. Our findings highlight the potential of robust decision making to aid decision support for landslide hazard reduction and risk management under conditions of deep uncertainty.

Steady-State Computation of Constant Rotational Rate Dynamic Stability Derivatives

NASA Technical Reports Server (NTRS)

Park, Michael A.; Green, Lawrence L.

2000-01-01

Dynamic stability derivatives are essential to predicting the open and closed loop performance, stability, and controllability of aircraft. Computational determination of constant-rate dynamic stability derivatives (derivatives of aircraft forces and moments with respect to constant rotational rates) is currently performed indirectly with finite differencing of multiple time-accurate computational fluid dynamics solutions. Typical time-accurate solutions require excessive amounts of computational time to complete. Formulating Navier-Stokes (N-S) equations in a rotating noninertial reference frame and applying an automatic differentiation tool to the modified code has the potential for directly computing these derivatives with a single, much faster steady-state calculation. The ability to rapidly determine static and dynamic stability derivatives by computational methods can benefit multidisciplinary design methodologies and reduce dependency on wind tunnel measurements. The CFL3D thin-layer N-S computational fluid dynamics code was modified for this study to allow calculations on complex three-dimensional configurations with constant rotation rate components in all three axes. These CFL3D modifications also have direct application to rotorcraft and turbomachinery analyses. The modified CFL3D steady-state calculation is a new capability that showed excellent agreement with results calculated by a similar formulation. The application of automatic differentiation to CFL3D allows the static stability and body-axis rate derivatives to be calculated quickly and exactly.

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

Pavlickova, Katarina; Vyskupova, Monika, E-mail: vyskupova@fns.uniba.sk

Cumulative environmental impact assessment deals with the occasional use in practical application of environmental impact assessment process. The main reasons are the difficulty of cumulative impact identification caused by lack of data, inability to measure the intensity and spatial effect of all types of impacts and the uncertainty of their future evolution. This work presents a method proposal to predict cumulative impacts on the basis of landscape vulnerability evaluation. For this purpose, qualitative assessment of landscape ecological stability is conducted and major vulnerability indicators of environmental and socio-economic receptors are specified and valuated. Potential cumulative impacts and the overall impactmore » significance are predicted quantitatively in modified Argonne multiple matrixes while considering the vulnerability of affected landscape receptors and the significance of impacts identified individually. The method was employed in the concrete environmental impact assessment process conducted in Slovakia. The results obtained in this case study reflect that this methodology is simple to apply, valid for all types of impacts and projects, inexpensive and not time-consuming. The objectivity of the partial methods used in this procedure is improved by quantitative landscape ecological stability evaluation, assignment of weights to vulnerability indicators based on the detailed characteristics of affected factors, and grading impact significance. - Highlights: • This paper suggests a method proposal for cumulative impact prediction. • The method includes landscape vulnerability evaluation. • The vulnerability of affected receptors is determined by their sensitivity. • This method can increase the objectivity of impact prediction in the EIA process.« less

Model predictive control of non-linear systems over networks with data quantization and packet loss.

PubMed

Yu, Jimin; Nan, Liangsheng; Tang, Xiaoming; Wang, Ping

2015-11-01

This paper studies the approach of model predictive control (MPC) for the non-linear systems under networked environment where both data quantization and packet loss may occur. The non-linear controlled plant in the networked control system (NCS) is represented by a Tagaki-Sugeno (T-S) model. The sensed data and control signal are quantized in both links and described as sector bound uncertainties by applying sector bound approach. Then, the quantized data are transmitted in the communication networks and may suffer from the effect of packet losses, which are modeled as Bernoulli process. A fuzzy predictive controller which guarantees the stability of the closed-loop system is obtained by solving a set of linear matrix inequalities (LMIs). A numerical example is given to illustrate the effectiveness of the proposed method. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.

Predicting 3D structure and stability of RNA pseudoknots in monovalent and divalent ion solutions.

PubMed

Shi, Ya-Zhou; Jin, Lei; Feng, Chen-Jie; Tan, Ya-Lan; Tan, Zhi-Jie

2018-06-01

RNA pseudoknots are a kind of minimal RNA tertiary structural motifs, and their three-dimensional (3D) structures and stability play essential roles in a variety of biological functions. Therefore, to predict 3D structures and stability of RNA pseudoknots is essential for understanding their functions. In the work, we employed our previously developed coarse-grained model with implicit salt to make extensive predictions and comprehensive analyses on the 3D structures and stability for RNA pseudoknots in monovalent/divalent ion solutions. The comparisons with available experimental data show that our model can successfully predict the 3D structures of RNA pseudoknots from their sequences, and can also make reliable predictions for the stability of RNA pseudoknots with different lengths and sequences over a wide range of monovalent/divalent ion concentrations. Furthermore, we made comprehensive analyses on the unfolding pathway for various RNA pseudoknots in ion solutions. Our analyses for extensive pseudokonts and the wide range of monovalent/divalent ion concentrations verify that the unfolding pathway of RNA pseudoknots is mainly dependent on the relative stability of unfolded intermediate states, and show that the unfolding pathway of RNA pseudoknots can be significantly modulated by their sequences and solution ion conditions.

Thermal stability comparison of nanocrystalline Fe-based binary alloy pairs

DOE PAGES

Clark, Blythe G.; Hattar, Khalid Mikhiel; Marshall, Michael Thomas; ...

2016-03-24

Here, the widely recognized property improvements of nanocrystalline (NC) materials have generated significant interest, yet have been difficult to realize in engineering applications due to the propensity for grain growth in these interface-dense systems. While traditional pathways to thermal stabilization can slow the mobility of grain boundaries, recent theories suggest that solute segregation in NC alloy can reduce the grain boundary energy such that thermodynamic stabilization is achieved. Following the predictions of Murdock et al., here we compare for the first time the thermal stability of a predicted NC stable alloy (Fe-10at.% Mg) with a predicted non-NC stable alloy (Fe-10at.%more » Cu) using the same processing and characterization methodologies. Results indicate improved thermal stability of the Fe-Mg alloy in comparison to the Fe-Cu, and observed microstructures are consistent with those predicted by Monte Carlo simulations.« less

Prediction of trivalent actinide amino(poly)carboxylate complex stability constants using linear free energy relationships with the lanthanide series

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

Uhnak, Nic E.

Prediction of Trivalent Actinide Amino(poly)carboxylate Complex Stability Constants Using Linear Free Energy Relationships with the Lanthanide Series Alternative title: LFER Based Prediction of An(III) APC Stability Constants There is a gap in the literature regarding the complexation of amino(poly)carboxylate (APC) ligands with trivalent actinides (An(III))). The chemistry of the An(III) is nearly identical to that of the trivalent lanthanides Lns, but the An(III) express a slight enhancement when binding APC ligands. Presented in this report is a simple method of predicting the stability constants of the An(III), Pu, Am, Cm, Bk and Cf by using linear free energy relationships (LFER)more » of the An and the lanthanide (Ln) series for 91 APCs. This method produced An stability constants within uncertainty to available literature values for most ligands.« less

Predicting game-attending behavior in amateur athletes: the moderating role of intention stability.

PubMed

Lu, Wan Chen; Cheng, Chih-Fu; Chen, Lung Hung

2013-10-01

The theory of planned behavior is a well-established theory in predicting human behavior. However, there is evidence of an inconsistent relationship between intention and behavior. Therefore, the purpose of the current study is to further investigate the gap between intention and behavior. The study proposes intention stability as the moderator. Participants (N = 154, M age = 23 yr., SD = 6.7) were recruited from Internet volleyball forums and local volleyball courts in Taiwan. Multiple hierarchical regression was used to analyze the data. The results indicated that perceived behavioral control significantly predicted game-attending behavior through intention. However, attitude and subjective norms did not significantly predict behavioral intention. In addition, intention stability moderated the relationship between intention and behavior and indicated the relationship between intention and behavior was strong when intention stability was high. On the contrary, when intention stability was low, the relationship between intention and behavior was weak. Implications and applications are discussed.

Prediction and Stability of Mathematics Skill and Difficulty

ERIC Educational Resources Information Center

Martin, Rebecca B.; Cirino, Paul T.; Barnes, Marcia A.; Ewing-Cobbs, Linda; Fuchs, Lynn S.; Stuebing, Karla K.; Fletcher, Jack M.

2013-01-01

The present study evaluated the stability of math learning difficulties over a 2-year period and investigated several factors that might influence this stability (categorical vs. continuous change, liberal vs. conservative cut point, broad vs. specific math assessment); the prediction of math performance over time and by performance level was also…

Yield performance and stability of CMS-based triticale hybrids.

PubMed

Mühleisen, Jonathan; Piepho, Hans-Peter; Maurer, Hans Peter; Reif, Jochen Christoph

2015-02-01

CMS-based triticale hybrids showed only marginal midparent heterosis for grain yield and lower dynamic yield stability compared to inbred lines. Hybrids of triticale (×Triticosecale Wittmack) are expected to possess outstanding yield performance and increased dynamic yield stability. The objectives of the present study were to (1) examine the optimum choice of the biometrical model to compare yield stability of hybrids versus lines, (2) investigate whether hybrids exhibit a more pronounced grain yield performance and yield stability, and (3) study optimal strategies to predict yield stability of hybrids. Thirteen female and seven male parental lines and their 91 factorial hybrids as well as 30 commercial lines were evaluated for grain yield in up to 20 environments. Hybrids were produced using a cytoplasmic male sterility (CMS)-inducing cytoplasm that originated from Triticumtimopheevii Zhuk. We found that the choice of the biometrical model can cause contrasting results and concluded that a group-by-environment interaction term should be added to the model when estimating stability variance of hybrids and lines. midparent heterosis for grain yield was on average 3 % with a range from -15.0 to 11.5 %. No hybrid outperformed the best inbred line. Hybrids had, on average, lower dynamic yield stability compared to the inbred lines. Grain yield performance of hybrids could be predicted based on midparent values and general combining ability (GCA)-predicted values. In contrast, stability variance of hybrids could be predicted only based on GCA-predicted values. We speculated that negative effects of the used CMS cytoplasm might be the reason for the low performance and yield stability of the hybrids. For this purpose a detailed study on the reasons for the drawback of the currently existing CMS system in triticale is urgently required comprising also the search of potentially alternative hybridization systems.

Thermal Stabilization of Dihydrofolate Reductase Using Monte Carlo Unfolding Simulations and Its Functional Consequences

PubMed Central

Whitney, Anna; Shakhnovich, Eugene I.

2015-01-01

Design of proteins with desired thermal properties is important for scientific and biotechnological applications. Here we developed a theoretical approach to predict the effect of mutations on protein stability from non-equilibrium unfolding simulations. We establish a relative measure based on apparent simulated melting temperatures that is independent of simulation length and, under certain assumptions, proportional to equilibrium stability, and we justify this theoretical development with extensive simulations and experimental data. Using our new method based on all-atom Monte-Carlo unfolding simulations, we carried out a saturating mutagenesis of Dihydrofolate Reductase (DHFR), a key target of antibiotics and chemotherapeutic drugs. The method predicted more than 500 stabilizing mutations, several of which were selected for detailed computational and experimental analysis. We find a highly significant correlation of r = 0.65–0.68 between predicted and experimentally determined melting temperatures and unfolding denaturant concentrations for WT DHFR and 42 mutants. The correlation between energy of the native state and experimental denaturation temperature was much weaker, indicating the important role of entropy in protein stability. The most stabilizing point mutation was D27F, which is located in the active site of the protein, rendering it inactive. However for the rest of mutations outside of the active site we observed a weak yet statistically significant positive correlation between thermal stability and catalytic activity indicating the lack of a stability-activity tradeoff for DHFR. By combining stabilizing mutations predicted by our method, we created a highly stable catalytically active E. coli DHFR mutant with measured denaturation temperature 7.2°C higher than WT. Prediction results for DHFR and several other proteins indicate that computational approaches based on unfolding simulations are useful as a general technique to discover stabilizing mutations. PMID:25905910

Atomic Layer Deposition of Stable LiAlF4 Lithium Ion Conductive Interfacial Layer for Stable Cathode Cycling.

PubMed

Xie, Jin; Sendek, Austin D; Cubuk, Ekin D; Zhang, Xiaokun; Lu, Zhiyi; Gong, Yongji; Wu, Tong; Shi, Feifei; Liu, Wei; Reed, Evan J; Cui, Yi

2017-07-25

Modern lithium ion batteries are often desired to operate at a wide electrochemical window to maximize energy densities. While pushing the limit of cutoff potentials allows batteries to provide greater energy densities with enhanced specific capacities and higher voltage outputs, it raises key challenges with thermodynamic and kinetic stability in the battery. This is especially true for layered lithium transition-metal oxides, where capacities can improve but stabilities are compromised as wider electrochemical windows are applied. To overcome the above-mentioned challenges, we used atomic layer deposition to develop a LiAlF 4 solid thin film with robust stability and satisfactory ion conductivity, which is superior to commonly used LiF and AlF 3 . With a predicted stable electrochemical window of approximately 2.0 ± 0.9 to 5.7 ± 0.7 V vs Li + /Li for LiAlF 4 , excellent stability was achieved for high Ni content LiNi 0.8 Mn 0.1 Co 0.1 O 2 electrodes with LiAlF 4 interfacial layer at a wide electrochemical window of 2.75-4.50 V vs Li + /Li.

Landslide Hazard Probability Derived from Inherent and Dynamic Determinants

NASA Astrophysics Data System (ADS)

Strauch, Ronda; Istanbulluoglu, Erkan

2016-04-01

Landslide hazard research has typically been conducted independently from hydroclimate research. We unify these two lines of research to provide regional scale landslide hazard information for risk assessments and resource management decision-making. Our approach combines an empirical inherent landslide probability with a numerical dynamic probability, generated by combining routed recharge from the Variable Infiltration Capacity (VIC) macro-scale land surface hydrologic model with a finer resolution probabilistic slope stability model run in a Monte Carlo simulation. Landslide hazard mapping is advanced by adjusting the dynamic model of stability with an empirically-based scalar representing the inherent stability of the landscape, creating a probabilistic quantitative measure of geohazard prediction at a 30-m resolution. Climatology, soil, and topography control the dynamic nature of hillslope stability and the empirical information further improves the discriminating ability of the integrated model. This work will aid resource management decision-making in current and future landscape and climatic conditions. The approach is applied as a case study in North Cascade National Park Complex, a rugged terrain with nearly 2,700 m (9,000 ft) of vertical relief, covering 2757 sq km (1064 sq mi) in northern Washington State, U.S.A.

Non-hydrostatic semi-elastic hybrid-coordinate SISL extension of HIRLAM. Part I: numerical scheme

NASA Astrophysics Data System (ADS)

Rõõm, Rein; Männik, Aarne; Luhamaa, Andres

2007-10-01

Two-time-level, semi-implicit, semi-Lagrangian (SISL) scheme is applied to the non-hydrostatic pressure coordinate equations, constituting a modified Miller-Pearce-White model, in hybrid-coordinate framework. Neutral background is subtracted in the initial continuous dynamics, yielding modified equations for geopotential, temperature and logarithmic surface pressure fluctuation. Implicit Lagrangian marching formulae for single time-step are derived. A disclosure scheme is presented, which results in an uncoupled diagnostic system, consisting of 3-D Poisson equation for omega velocity and 2-D Helmholtz equation for logarithmic pressure fluctuation. The model is discretized to create a non-hydrostatic extension to numerical weather prediction model HIRLAM. The discretization schemes, trajectory computation algorithms and interpolation routines, as well as the physical parametrization package are maintained from parent hydrostatic HIRLAM. For stability investigation, the derived SISL model is linearized with respect to the initial, thermally non-equilibrium resting state. Explicit residuals of the linear model prove to be sensitive to the relative departures of temperature and static stability from the reference state. Relayed on the stability study, the semi-implicit term in the vertical momentum equation is replaced to the implicit term, which results in stability increase of the model.

On the nonlinear stability of the unsteady, viscous flow of an incompressible fluid in a curved pipe

NASA Technical Reports Server (NTRS)

Shortis, Trudi A.; Hall, Philip

1995-01-01

The stability of the flow of an incompressible, viscous fluid through a pipe of circular cross-section curved about a central axis is investigated in a weakly nonlinear regime. A sinusoidal pressure gradient with zero mean is imposed, acting along the pipe. A WKBJ perturbation solution is constructed, taking into account the need for an inner solution in the vicinity of the outer bend, which is obtained by identifying the saddle point of the Taylor number in the complex plane of the cross-sectional angle co-ordinate. The equation governing the nonlinear evolution of the leading order vortex amplitude is thus determined. The stability analysis of this flow to periodic disturbances leads to a partial differential system dependent on three variables, and since the differential operators in this system are periodic in time, Floquet theory may be applied to reduce this system to a coupled infinite system of ordinary differential equations, together with homogeneous uncoupled boundary conditions. The eigenvalues of this system are calculated numerically to predict a critical Taylor number consistent with the analysis of Papageorgiou. A discussion of how nonlinear effects alter the linear stability analysis is also given, and the nature of the instability determined.

Genomic models with genotype × environment interaction for predicting hybrid performance: an application in maize hybrids.

PubMed

Acosta-Pech, Rocío; Crossa, José; de Los Campos, Gustavo; Teyssèdre, Simon; Claustres, Bruno; Pérez-Elizalde, Sergio; Pérez-Rodríguez, Paulino

2017-07-01

A new genomic model that incorporates genotype × environment interaction gave increased prediction accuracy of untested hybrid response for traits such as percent starch content, percent dry matter content and silage yield of maize hybrids. The prediction of hybrid performance (HP) is very important in agricultural breeding programs. In plant breeding, multi-environment trials play an important role in the selection of important traits, such as stability across environments, grain yield and pest resistance. Environmental conditions modulate gene expression causing genotype × environment interaction (G × E), such that the estimated genetic correlations of the performance of individual lines across environments summarize the joint action of genes and environmental conditions. This article proposes a genomic statistical model that incorporates G × E for general and specific combining ability for predicting the performance of hybrids in environments. The proposed model can also be applied to any other hybrid species with distinct parental pools. In this study, we evaluated the predictive ability of two HP prediction models using a cross-validation approach applied in extensive maize hybrid data, comprising 2724 hybrids derived from 507 dent lines and 24 flint lines, which were evaluated for three traits in 58 environments over 12 years; analyses were performed for each year. On average, genomic models that include the interaction of general and specific combining ability with environments have greater predictive ability than genomic models without interaction with environments (ranging from 12 to 22%, depending on the trait). We concluded that including G × E in the prediction of untested maize hybrids increases the accuracy of genomic models.

Landslide Hazard from Coupled Inherent and Dynamic Probabilities

NASA Astrophysics Data System (ADS)

Strauch, R. L.; Istanbulluoglu, E.; Nudurupati, S. S.

2015-12-01

Landslide hazard research has typically been conducted independently from hydroclimate research. We sought to unify these two lines of research to provide regional scale landslide hazard information for risk assessments and resource management decision-making. Our approach couples an empirical inherent landslide probability, based on a frequency ratio analysis, with a numerical dynamic probability, generated by combining subsurface water recharge and surface runoff from the Variable Infiltration Capacity (VIC) macro-scale land surface hydrologic model with a finer resolution probabilistic slope stability model. Landslide hazard mapping is advanced by combining static and dynamic models of stability into a probabilistic measure of geohazard prediction in both space and time. This work will aid resource management decision-making in current and future landscape and climatic conditions. The approach is applied as a case study in North Cascade National Park Complex in northern Washington State.

Stability analysis of nanoscale surface patterns in stressed solids

NASA Astrophysics Data System (ADS)

Kostyrko, Sergey A.; Shuvalov, Gleb M.

2018-05-01

Here, we use the theory of surface elasticity to extend the morphological instability analysis of stressed solids developed in the works of Asaro, Tiller, Grinfeld, Srolovitz and many others. Within the framework of Gurtin-Murdoch model, the surface phase is assumed to be a negligibly thin layer with the elastic properties which differ from those of the bulk material. We consider the mass transport mechanism driven by the variation of surface and bulk energy along undulated surface of stressed solid. The linearized surface evolution equation is derived in the case of plane strain conditions and describes the amplitude change of surface perturbations with time. A parametric analysis of this equation leads to the definition of critical conditions which depend on undulation wavelength, residual surface stress, applied loading, surface and bulk elastic constants and predict the surface morphological stability.

Dynamics and stability of a 2D ideal vortex under external strain

NASA Astrophysics Data System (ADS)

Hurst, N. C.; Danielson, J. R.; Dubin, D. H. E.; Surko, C. M.

2017-11-01

The behavior of an initially axisymmetric 2D ideal vortex under an externally imposed strain flow is studied experimentally. The experiments are carried out using electron plasmas confined in a Penning-Malmberg trap; here, the dynamics of the plasma density transverse to the field are directly analogous to the dynamics of vorticity in a 2D ideal fluid. An external strain flow is applied using boundary conditions in a way that is consistent with 2D fluid dynamics. Data are compared to predictions from a theory assuming a piecewise constant elliptical vorticity distribution. Excellent agreement is found for quasi-flat profiles, whereas the dynamics of smooth profiles feature modified stability limits and inviscid damping of periodic elliptical distortions. This work supported by U.S. DOE Grants DE-SC0002451 and DE-SC0016532, and NSF Grant PHY-1414570.

Nonlinear adaptive control system design with asymptotically stable parameter estimation error

NASA Astrophysics Data System (ADS)

Mishkov, Rumen; Darmonski, Stanislav

2018-01-01

The paper presents a new general method for nonlinear adaptive system design with asymptotic stability of the parameter estimation error. The advantages of the approach include asymptotic unknown parameter estimation without persistent excitation and capability to directly control the estimates transient response time. The method proposed modifies the basic parameter estimation dynamics designed via a known nonlinear adaptive control approach. The modification is based on the generalised prediction error, a priori constraints with a hierarchical parameter projection algorithm, and the stable data accumulation concepts. The data accumulation principle is the main tool for achieving asymptotic unknown parameter estimation. It relies on the parametric identifiability system property introduced. Necessary and sufficient conditions for exponential stability of the data accumulation dynamics are derived. The approach is applied in a nonlinear adaptive speed tracking vector control of a three-phase induction motor.

A biomechanical model of the craniomandibular complex and cervical spine based on the inverted pendulum.

PubMed

Gillies, G T; Broaddus, W C; Stenger, J M; Taylor, A G

1998-01-01

The head and neck constitute an inverted pendulum that is stabilized during consciousness by neuromuscular restoring forces. An analysis of the dynamics of this inverted pendulum suggests that the mechanics of the mandible and temporomandibular joint might couple into those of the pendulum's stabilization process. In this article, physical principles of the inverted pendulum model as these apply to the head and neck are explored, and the authors describe implications of mandibular mechanics for the forces acting on the head and neck at equilibrium. This novel application of the inverted pendulum model predicts that alteration or pathology of temporomandibular mechanics would lead to perturbations of the normal forces acting in the head and neck. Under certain circumstances, these perturbations could be expected to contribute to symptoms and result in additional or accelerated degenerative effects.

Control theory for scanning probe microscopy revisited.

PubMed

Stirling, Julian

2014-01-01

We derive a theoretical model for studying SPM feedback in the context of control theory. Previous models presented in the literature that apply standard models for proportional-integral-derivative controllers predict a highly unstable feedback environment. This model uses features specific to the SPM implementation of the proportional-integral controller to give realistic feedback behaviour. As such the stability of SPM feedback for a wide range of feedback gains can be understood. Further consideration of mechanical responses of the SPM system gives insight into the causes of exciting mechanical resonances of the scanner during feedback operation.

Thermal stability of mullite RMn₂O₅ (R  =  Bi, Y, Pr, Sm or Gd): combined density functional theory and experimental study.

PubMed

Li, Chenzhe; Thampy, Sampreetha; Zheng, Yongping; Kweun, Joshua M; Ren, Yixin; Chan, Julia Y; Kim, Hanchul; Cho, Maenghyo; Kim, Yoon Young; Hsu, Julia W P; Cho, Kyeongjae

2016-03-31

Understanding and effectively predicting the thermal stability of ternary transition metal oxides with heavy elements using first principle simulations are vital for understanding performance of advanced materials. In this work, we have investigated the thermal stability of mullite RMn2O5 (R  =  Bi, Pr, Sm, or Gd) structures by constructing temperature phase diagrams using an efficient mixed generalized gradient approximation (GGA) and the GGA  +  U method. Simulation predicted stability regions without corrections on heavy elements show a 4-200 K underestimation compared to our experimental results. We have found the number of d/f electrons in the heavy elements shows a linear relationship with the prediction deviation. Further correction on the strongly correlated electrons in heavy elements could significantly reduce the prediction deviations. Our corrected simulation results demonstrate that further correction of R-site elements in RMn2O5 could effectively reduce the underestimation of the density functional theory-predicted decomposition temperature to within 30 K. Therefore, it could produce an accurate thermal stability prediction for complex ternary transition metal oxide compounds with heavy elements.

Wavelet Filtering to Reduce Conservatism in Aeroservoelastic Robust Stability Margins

NASA Technical Reports Server (NTRS)

Brenner, Marty; Lind, Rick

1998-01-01

Wavelet analysis for filtering and system identification was used to improve the estimation of aeroservoelastic stability margins. The conservatism of the robust stability margins was reduced with parametric and nonparametric time-frequency analysis of flight data in the model validation process. Nonparametric wavelet processing of data was used to reduce the effects of external desirableness and unmodeled dynamics. Parametric estimates of modal stability were also extracted using the wavelet transform. Computation of robust stability margins for stability boundary prediction depends on uncertainty descriptions derived from the data for model validation. F-18 high Alpha Research Vehicle aeroservoelastic flight test data demonstrated improved robust stability prediction by extension of the stability boundary beyond the flight regime.

Predicting the tolerated sequences for proteins and protein interfaces using RosettaBackrub flexible backbone design.

PubMed

Smith, Colin A; Kortemme, Tanja

2011-01-01

Predicting the set of sequences that are tolerated by a protein or protein interface, while maintaining a desired function, is useful for characterizing protein interaction specificity and for computationally designing sequence libraries to engineer proteins with new functions. Here we provide a general method, a detailed set of protocols, and several benchmarks and analyses for estimating tolerated sequences using flexible backbone protein design implemented in the Rosetta molecular modeling software suite. The input to the method is at least one experimentally determined three-dimensional protein structure or high-quality model. The starting structure(s) are expanded or refined into a conformational ensemble using Monte Carlo simulations consisting of backrub backbone and side chain moves in Rosetta. The method then uses a combination of simulated annealing and genetic algorithm optimization methods to enrich for low-energy sequences for the individual members of the ensemble. To emphasize certain functional requirements (e.g. forming a binding interface), interactions between and within parts of the structure (e.g. domains) can be reweighted in the scoring function. Results from each backbone structure are merged together to create a single estimate for the tolerated sequence space. We provide an extensive description of the protocol and its parameters, all source code, example analysis scripts and three tests applying this method to finding sequences predicted to stabilize proteins or protein interfaces. The generality of this method makes many other applications possible, for example stabilizing interactions with small molecules, DNA, or RNA. Through the use of within-domain reweighting and/or multistate design, it may also be possible to use this method to find sequences that stabilize particular protein conformations or binding interactions over others.

Longitudinal quasi-static stability predicts changes in dog gait on rough terrain

PubMed Central

Reeve, Michelle A.; Haynes, G. Clark; Revzen, Shai; Koditschek, Daniel E.; Spence, Andrew J.

2017-01-01

ABSTRACT Legged animals utilize gait selection to move effectively and must recover from environmental perturbations. We show that on rough terrain, domestic dogs, Canis lupus familiaris, spend more time in longitudinal quasi-statically stable patterns of movement. Here, longitudinal refers to the rostro-caudal axis. We used an existing model in the literature to quantify the longitudinal quasi-static stability of gaits neighbouring the walk, and found that trot-like gaits are more stable. We thus hypothesized that when perturbed, the rate of return to a stable gait would depend on the direction of perturbation, such that perturbations towards less quasi-statically stable patterns of movement would be more rapid than those towards more stable patterns of movement. The net result of this would be greater time spent in longitudinally quasi-statically stable patterns of movement. Limb movement patterns in which diagonal limbs were more synchronized (those more like a trot) have higher longitudinal quasi-static stability. We therefore predicted that as dogs explored possible limb configurations on rough terrain at walking speeds, the walk would shift towards trot. We gathered experimental data quantifying dog gait when perturbed by rough terrain and confirmed this prediction using GPS and inertial sensors (n=6, P<0.05). By formulating gaits as trajectories on the n-torus we are able to make tractable the analysis of gait similarity. These methods can be applied in a comparative study of gait control which will inform the ultimate role of the constraints and costs impacting locomotion, and have applications in diagnostic procedures for gait abnormalities, and in the development of agile legged robots. PMID:28264903

Longitudinal quasi-static stability predicts changes in dog gait on rough terrain.

PubMed

Wilshin, Simon; Reeve, Michelle A; Haynes, G Clark; Revzen, Shai; Koditschek, Daniel E; Spence, Andrew J

2017-05-15

Legged animals utilize gait selection to move effectively and must recover from environmental perturbations. We show that on rough terrain, domestic dogs, Canis lupus familiaris , spend more time in longitudinal quasi-statically stable patterns of movement. Here, longitudinal refers to the rostro-caudal axis. We used an existing model in the literature to quantify the longitudinal quasi-static stability of gaits neighbouring the walk, and found that trot-like gaits are more stable. We thus hypothesized that when perturbed, the rate of return to a stable gait would depend on the direction of perturbation, such that perturbations towards less quasi-statically stable patterns of movement would be more rapid than those towards more stable patterns of movement. The net result of this would be greater time spent in longitudinally quasi-statically stable patterns of movement. Limb movement patterns in which diagonal limbs were more synchronized (those more like a trot) have higher longitudinal quasi-static stability. We therefore predicted that as dogs explored possible limb configurations on rough terrain at walking speeds, the walk would shift towards trot. We gathered experimental data quantifying dog gait when perturbed by rough terrain and confirmed this prediction using GPS and inertial sensors ( n =6, P <0.05). By formulating gaits as trajectories on the n -torus we are able to make tractable the analysis of gait similarity. These methods can be applied in a comparative study of gait control which will inform the ultimate role of the constraints and costs impacting locomotion, and have applications in diagnostic procedures for gait abnormalities, and in the development of agile legged robots. © 2017. Published by The Company of Biologists Ltd.

Independent Assessment of ITRF Site Velocities using GPS Imaging

NASA Astrophysics Data System (ADS)

Blewitt, G.; Hammond, W. C.; Kreemer, C.; Altamimi, Z.

2015-12-01

The long-term stability of ITRF is critical to the most challenging scientific applications such as the slow variation of sea level, and of ice sheet loading in Greenland and Antarctica. In 2010, the National Research Council recommended aiming for stability at the level of 1 mm/decade in the ITRF origin and scale. This requires that the ITRF include many globally-distributed sites with motions that are predictable to within a few mm/decade, with a significant number of sites having collocated stations of multiple techniques. Quantifying the stability of ITRF stations can be useful to understand stability of ITRF parameters, and to help the selection and weighting of ITRF stations. Here we apply a new suite of techniques for an independent assessment of ITRF site velocities. Our "GPS Imaging" suite is founded on the principle that, for the case of large numbers of data, the trend can be estimated objectively, automatically, robustly, and accurately by applying non-parametric techniques, which use quantile statistics (e.g., the median). At the foundation of GPS Imaging is the estimator "MIDAS" (Median Interannual Difference Adjusted for Skewness). MIDAS estimates the velocity with a realistic error bar based on sub-sampling the coordinate time series. MIDAS is robust to step discontinuities, outliers, seasonality, and heteroscedasticity. Common-mode noise filters enhance regional- to continental-scale precision in MIDAS estimates, just as they do for standard estimation techniques. Secondly, in regions where there is sufficient spatial sampling, GPS Imaging uses MIDAS velocity estimates to generate a regionally-representative velocity map. For this we apply a median spatial filter to despeckle the maps. We use GPS Imaging to address two questions: (1) How well do the ITRF site velocities derived by parametric estimation agree with non-parametric techniques? (2) Are ITRF site velocities regionally representative? These questions aim to get a handle on (1) the accuracy of ITRF site velocities as a function of characteristics of contributing station data, such as number of step parameters and total time span; and (2) evidence of local processes affecting site velocity, which may impact site stability. Such quantification can be used to rank stations in terms the risk that they may pose to the stability of ITRF.

CAN STABILITY REALLY PREDICT AN IMPENDING SLIP-RELATED FALL AMONG OLDER ADULTS?

PubMed Central

Yang, Feng; Pai, Yi-Chung

2015-01-01

The primary purpose of this study was to systematically evaluate and compare the predictive power of falls for a battery of stability indices, obtained during normal walking among community-dwelling older adults. One hundred and eighty seven community-dwelling older adults participated in the study. After walking regularly for 20 strides on a walkway, participants were subjected to an unannounced slip during gait under the protection of a safety harness. Full body kinematics and kinetics were monitored during walking using a motion capture system synchronized with force plates. Stability variables, including feasible-stability-region measurement, margin of stability, the maximum Floquet multiplier, the Lyapunov exponents (short- and long-term), and the variability of gait parameters (including the step length, step width, and step time) were calculated for each subject. Accuracy of predicting slip outcome (fall vs. recovery) was examined for each stability variable using logistic regression. Results showed that the feasible-stability-region measurement predicted fall incidence among these subjects with the highest accuracy (68.4%). Except for the step width (with an accuracy of 60.2%), no other stability variables could differentiate fallers from those who did not fall for the sample studied in this study. The findings from the present study could provide guidance to identify individuals at increased risk of falling using the feasible-stability-region measurement or variability of the step width. PMID:25458148

A multidimensional stability model for predicting shallow landslide size and shape across landscapes.

PubMed

Milledge, David G; Bellugi, Dino; McKean, Jim A; Densmore, Alexander L; Dietrich, William E

2014-11-01

The size of a shallow landslide is a fundamental control on both its hazard and geomorphic importance. Existing models are either unable to predict landslide size or are computationally intensive such that they cannot practically be applied across landscapes. We derive a model appropriate for natural slopes that is capable of predicting shallow landslide size but simple enough to be applied over entire watersheds. It accounts for lateral resistance by representing the forces acting on each margin of potential landslides using earth pressure theory and by representing root reinforcement as an exponential function of soil depth. We test our model's ability to predict failure of an observed landslide where the relevant parameters are well constrained by field data. The model predicts failure for the observed scar geometry and finds that larger or smaller conformal shapes are more stable. Numerical experiments demonstrate that friction on the boundaries of a potential landslide increases considerably the magnitude of lateral reinforcement, relative to that due to root cohesion alone. We find that there is a critical depth in both cohesive and cohesionless soils, resulting in a minimum size for failure, which is consistent with observed size-frequency distributions. Furthermore, the differential resistance on the boundaries of a potential landslide is responsible for a critical landslide shape which is longer than it is wide, consistent with observed aspect ratios. Finally, our results show that minimum size increases as approximately the square of failure surface depth, consistent with observed landslide depth-area data.

A multidimensional stability model for predicting shallow landslide size and shape across landscapes

PubMed Central

Milledge, David G; Bellugi, Dino; McKean, Jim A; Densmore, Alexander L; Dietrich, William E

2014-01-01

The size of a shallow landslide is a fundamental control on both its hazard and geomorphic importance. Existing models are either unable to predict landslide size or are computationally intensive such that they cannot practically be applied across landscapes. We derive a model appropriate for natural slopes that is capable of predicting shallow landslide size but simple enough to be applied over entire watersheds. It accounts for lateral resistance by representing the forces acting on each margin of potential landslides using earth pressure theory and by representing root reinforcement as an exponential function of soil depth. We test our model's ability to predict failure of an observed landslide where the relevant parameters are well constrained by field data. The model predicts failure for the observed scar geometry and finds that larger or smaller conformal shapes are more stable. Numerical experiments demonstrate that friction on the boundaries of a potential landslide increases considerably the magnitude of lateral reinforcement, relative to that due to root cohesion alone. We find that there is a critical depth in both cohesive and cohesionless soils, resulting in a minimum size for failure, which is consistent with observed size-frequency distributions. Furthermore, the differential resistance on the boundaries of a potential landslide is responsible for a critical landslide shape which is longer than it is wide, consistent with observed aspect ratios. Finally, our results show that minimum size increases as approximately the square of failure surface depth, consistent with observed landslide depth-area data. PMID:26213663

Analysis of unsteady reacting flows and impact of chemistry description in Large Eddy Simulations of side-dump ramjet combustors

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

Roux, A.; Gicquel, L.Y.M.; Staffelbach, G.

2010-01-15

Among all the undesired phenomena observed in ramjet combustors, combustion instabilities are of foremost importance and predicting them using Large Eddy Simulation (LES) is an active research field. While acoustics are naturally captured by compressible LES provided that the proper boundary conditions are applied, combustion/chemistry modelling remains a critical issue and its impact on numerical predictions must still be assessed for complex applications. To do so, two different ramjet LES's are compared here. The first simulation is based on a standard one-step chemistry known to over-estimate the laminar flame speed in fuel rich conditions. The second simulation uses the samemore » scheme but introduces a correction of reaction rates for rich flames to match a detailed mechanism provided by Peters (1993). Even though the two chemical schemes are very similar and very few points burn in rich regimes, distinct limit-cycles are obtained with LES depending on which scheme is used. Results obtained with the standard one-step chemistry exhibit high frequency self-sustained oscillations. Multiple flame fronts are stabilized in the vicinity of the shear layer developing at the exit of the air inlets. When compared to the experiment, the fitted one-step scheme yields better predictions than the standard scheme. With the fitted scheme, the flame is detached from the air inlets and stabilizes in the regions identified in the experiment (Ristori et al. (2005), Heid and Ristori (2003), Heid and Ristori (2005), Ristori et al. (1999)). LES and experiments exhibit all main low-frequency modes including the first longitudinal acoustic mode. The high frequencies excited with the standard scheme are damped with the fitted scheme. The chemical scheme is found, for this ramjet burner, to have a strong impact on the predicted stability: approximate chemical schemes even in a limited range of equivalence ratio can lead to the occurence of non-physical combustion oscillations. (author)« less

A collaborative environment for developing and validating predictive tools for protein biophysical characteristics

NASA Astrophysics Data System (ADS)

Johnston, Michael A.; Farrell, Damien; Nielsen, Jens Erik

2012-04-01

The exchange of information between experimentalists and theoreticians is crucial to improving the predictive ability of theoretical methods and hence our understanding of the related biology. However many barriers exist which prevent the flow of information between the two disciplines. Enabling effective collaboration requires that experimentalists can easily apply computational tools to their data, share their data with theoreticians, and that both the experimental data and computational results are accessible to the wider community. We present a prototype collaborative environment for developing and validating predictive tools for protein biophysical characteristics. The environment is built on two central components; a new python-based integration module which allows theoreticians to provide and manage remote access to their programs; and PEATDB, a program for storing and sharing experimental data from protein biophysical characterisation studies. We demonstrate our approach by integrating PEATSA, a web-based service for predicting changes in protein biophysical characteristics, into PEATDB. Furthermore, we illustrate how the resulting environment aids method development using the Potapov dataset of experimentally measured ΔΔGfold values, previously employed to validate and train protein stability prediction algorithms.

Resolving phase stability in the Ti-O binary with first-principles statistical mechanics methods

NASA Astrophysics Data System (ADS)

Gunda, N. S. Harsha; Puchala, Brian; Van der Ven, Anton

2018-03-01

The Ti-O system consists of a multitude of stable and metastable oxides that are used in wide ranging applications. In this work we investigate phase stability in the Ti-O binary from first principles. We perform a systematic search for ground state structures as a function of oxygen concentration by considering oxygen-vacancy and/or titanium-vacancy orderings over four parent crystal structures: (i) hcp Ti, (ii) ω -Ti, (iii) rocksalt, and (iv) hcp oxygen containing interstitial titanium. We explore phase stability at finite temperature using cluster expansion Hamiltonians and Monte Carlo simulations. The calculations predict a high oxygen solubility in hcp Ti and the stability of suboxide phases that undergo order-disorder transitions upon heating. Vacancy ordered rocksalt phases are also predicted at low temperature that disorder to form an extended solid solution at high temperatures. Predicted stable and metastable phase diagrams are qualitatively consistent with experimental observations, however, important discrepancies are revealed between first-principles density functional theory predictions of phase stability and the current understanding of phase stability in this system.

Synchrophasor-Assisted Prediction of Stability/Instability of a Power System

NASA Astrophysics Data System (ADS)

Saha Roy, Biman Kumar; Sinha, Avinash Kumar; Pradhan, Ashok Kumar

2013-05-01

This paper presents a technique for real-time prediction of stability/instability of a power system based on synchrophasor measurements obtained from phasor measurement units (PMUs) at generator buses. For stability assessment the technique makes use of system severity indices developed using bus voltage magnitude obtained from PMUs and generator electrical power. Generator power is computed using system information and PMU information like voltage and current phasors obtained from PMU. System stability/instability is predicted when the indices exceeds a threshold value. A case study is carried out on New England 10-generator, 39-bus system to validate the performance of the technique.

Prediction of the effects of propeller operation on the static longitudinal stability of single-engine tractor monoplanes with flaps retracted

NASA Technical Reports Server (NTRS)

Weil, Joseph; Sleeman, William C , Jr

1949-01-01

The effects of propeller operation on the static longitudinal stability of single-engine tractor monoplanes are analyzed, and a simple method is presented for computing power-on pitching-moment curves for flap-retracted flight conditions. The methods evolved are based on the results of powered-model wind-tunnel investigations of 28 model configurations. Correlation curves are presented from which the effects of power on the downwash over the tail and the stabilizer effectiveness can be rapidly predicted. The procedures developed enable prediction of power-on longitudinal stability characteristics that are generally in very good agreement with experiment.

Thermomechanical Methodology for Stabilizing Shape Memory Alloy (SMA) Response

NASA Technical Reports Server (NTRS)

Padula, II, Santo A (Inventor)

2013-01-01

Methods and apparatuses for stabilizing the strain-temperature response for a shape memory alloy are provided. To perform stabilization of a second sample of the shape memory alloy, a first sample of the shape memory alloy is selected for isobaric treatment and the second sample is selected for isothermal treatment. When applying the isobaric treatment to the first sample, a constant stress is applied to the first sample. Temperature is also cycled from a minimum temperature to a maximum temperature until a strain on the first sample stabilizes. Once the strain on the first sample stabilizes, the isothermal treatment is performed on the second sample. During isothermal treatment, different levels of stress on the second sample are applied until a strain on the second sample matches the stabilized strain on the first sample.

Thermomechanical Methodology for Stabilizing Shape Memory Alloy (SMA) Response

NASA Technical Reports Server (NTRS)

Padula, Santo A., II (Inventor)

2016-01-01

Methods and apparatuses for stabilizing the strain-temperature response for a shape memory alloy are provided. To perform stabilization of a second sample of the shape memory alloy, a first sample of the shape memory alloy is selected for isobaric treatment and the second sample is selected for isothermal treatment. When applying the isobaric treatment to the first sample, a constant stress is applied to the first sample. Temperature is also cycled from a minimum temperature to a maximum temperature until a strain on the first sample stabilizes. Once the strain on the first sample stabilizes, the isothermal treatment is performed on the second sample. During isothermal treatment, different levels of stress on the second sample are applied until a strain on the second sample matches the stabilized strain on the first sample.

Load Index Metrics for an Optimized Management of Web Services: A Systematic Evaluation

PubMed Central

Souza, Paulo S. L.; Santana, Regina H. C.; Santana, Marcos J.; Zaluska, Ed; Faical, Bruno S.; Estrella, Julio C.

2013-01-01

The lack of precision to predict service performance through load indices may lead to wrong decisions regarding the use of web services, compromising service performance and raising platform cost unnecessarily. This paper presents experimental studies to qualify the behaviour of load indices in the web service context. The experiments consider three services that generate controlled and significant server demands, four levels of workload for each service and six distinct execution scenarios. The evaluation considers three relevant perspectives: the capability for representing recent workloads, the capability for predicting near-future performance and finally stability. Eight different load indices were analysed, including the JMX Average Time index (proposed in this paper) specifically designed to address the limitations of the other indices. A systematic approach is applied to evaluate the different load indices, considering a multiple linear regression model based on the stepwise-AIC method. The results show that the load indices studied represent the workload to some extent; however, in contrast to expectations, most of them do not exhibit a coherent correlation with service performance and this can result in stability problems. The JMX Average Time index is an exception, showing a stable behaviour which is tightly-coupled to the service runtime for all executions. Load indices are used to predict the service runtime and therefore their inappropriate use can lead to decisions that will impact negatively on both service performance and execution cost. PMID:23874776

Measuring Complexity and Predictability of Time Series with Flexible Multiscale Entropy for Sensor Networks

PubMed Central

Zhou, Renjie; Yang, Chen; Wan, Jian; Zhang, Wei; Guan, Bo; Xiong, Naixue

2017-01-01

Measurement of time series complexity and predictability is sometimes the cornerstone for proposing solutions to topology and congestion control problems in sensor networks. As a method of measuring time series complexity and predictability, multiscale entropy (MSE) has been widely applied in many fields. However, sample entropy, which is the fundamental component of MSE, measures the similarity of two subsequences of a time series with either zero or one, but without in-between values, which causes sudden changes of entropy values even if the time series embraces small changes. This problem becomes especially severe when the length of time series is getting short. For solving such the problem, we propose flexible multiscale entropy (FMSE), which introduces a novel similarity function measuring the similarity of two subsequences with full-range values from zero to one, and thus increases the reliability and stability of measuring time series complexity. The proposed method is evaluated on both synthetic and real time series, including white noise, 1/f noise and real vibration signals. The evaluation results demonstrate that FMSE has a significant improvement in reliability and stability of measuring complexity of time series, especially when the length of time series is short, compared to MSE and composite multiscale entropy (CMSE). The proposed method FMSE is capable of improving the performance of time series analysis based topology and traffic congestion control techniques. PMID:28383496

Measuring Complexity and Predictability of Time Series with Flexible Multiscale Entropy for Sensor Networks.

PubMed

Zhou, Renjie; Yang, Chen; Wan, Jian; Zhang, Wei; Guan, Bo; Xiong, Naixue

2017-04-06

Measurement of time series complexity and predictability is sometimes the cornerstone for proposing solutions to topology and congestion control problems in sensor networks. As a method of measuring time series complexity and predictability, multiscale entropy (MSE) has been widely applied in many fields. However, sample entropy, which is the fundamental component of MSE, measures the similarity of two subsequences of a time series with either zero or one, but without in-between values, which causes sudden changes of entropy values even if the time series embraces small changes. This problem becomes especially severe when the length of time series is getting short. For solving such the problem, we propose flexible multiscale entropy (FMSE), which introduces a novel similarity function measuring the similarity of two subsequences with full-range values from zero to one, and thus increases the reliability and stability of measuring time series complexity. The proposed method is evaluated on both synthetic and real time series, including white noise, 1/f noise and real vibration signals. The evaluation results demonstrate that FMSE has a significant improvement in reliability and stability of measuring complexity of time series, especially when the length of time series is short, compared to MSE and composite multiscale entropy (CMSE). The proposed method FMSE is capable of improving the performance of time series analysis based topology and traffic congestion control techniques.

A novel method for landslide displacement prediction by integrating advanced computational intelligence algorithms.

PubMed

Zhou, Chao; Yin, Kunlong; Cao, Ying; Ahmed, Bayes; Fu, Xiaolin

2018-05-08

Landslide displacement prediction is considered as an essential component for developing early warning systems. The modelling of conventional forecast methods requires enormous monitoring data that limit its application. To conduct accurate displacement prediction with limited data, a novel method is proposed and applied by integrating three computational intelligence algorithms namely: the wavelet transform (WT), the artificial bees colony (ABC), and the kernel-based extreme learning machine (KELM). At first, the total displacement was decomposed into several sub-sequences with different frequencies using the WT. Next each sub-sequence was predicted separately by the KELM whose parameters were optimized by the ABC. Finally the predicted total displacement was obtained by adding all the predicted sub-sequences. The Shuping landslide in the Three Gorges Reservoir area in China was taken as a case study. The performance of the new method was compared with the WT-ELM, ABC-KELM, ELM, and the support vector machine (SVM) methods. Results show that the prediction accuracy can be improved by decomposing the total displacement into sub-sequences with various frequencies and by predicting them separately. The ABC-KELM algorithm shows the highest prediction capacity followed by the ELM and SVM. Overall, the proposed method achieved excellent performance both in terms of accuracy and stability.

Prediction of protein mutant stability using classification and regression tool.

PubMed

Huang, Liang-Tsung; Saraboji, K; Ho, Shinn-Ying; Hwang, Shiow-Fen; Ponnuswamy, M N; Gromiha, M Michael

2007-02-01

Prediction of protein stability upon amino acid substitutions is an important problem in molecular biology and the solving of which would help for designing stable mutants. In this work, we have analyzed the stability of protein mutants using two different datasets of 1396 and 2204 mutants obtained from ProTherm database, respectively for free energy change due to thermal (DeltaDeltaG) and denaturant denaturations (DeltaDeltaG(H(2)O)). We have used a set of 48 physical, chemical energetic and conformational properties of amino acid residues and computed the difference of amino acid properties for each mutant in both sets of data. These differences in amino acid properties have been related to protein stability (DeltaDeltaG and DeltaDeltaG(H(2)O)) and are used to train with classification and regression tool for predicting the stability of protein mutants. Further, we have tested the method with 4 fold, 5 fold and 10 fold cross validation procedures. We found that the physical properties, shape and flexibility are important determinants of protein stability. The classification of mutants based on secondary structure (helix, strand, turn and coil) and solvent accessibility (buried, partially buried, partially exposed and exposed) distinguished the stabilizing/destabilizing mutants at an average accuracy of 81% and 80%, respectively for DeltaDeltaG and DeltaDeltaG(H(2)O). The correlation between the experimental and predicted stability change is 0.61 for DeltaDeltaG and 0.44 for DeltaDeltaG(H(2)O). Further, the free energy change due to the replacement of amino acid residue has been predicted within an average error of 1.08 kcal/mol and 1.37 kcal/mol for thermal and chemical denaturation, respectively. The relative importance of secondary structure and solvent accessibility, and the influence of the dataset on prediction of protein mutant stability have been discussed.

Thermal barrier coating life-prediction model development. Annual report no. 2

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

Strangman, T. E.; Neumann, J.; Liu, A.

1986-10-01

The program focuses on predicting the lives of two types of strain-tolerant and oxidation-resistant thermal barrier coating (TBC) systems that are produced by commercial coating suppliers to the gas turbine industry. The plasma-sprayed TBC system, composed of a low-pressure plasma-spray (LPPS) or an argon shrouded plasma-spray (ASPS) applied oxidation resistant NiCrAlY or (CoNiCrAlY) bond coating and an air-plasma-sprayed yttria partially stabilized zirconia insulative layer, is applied by both Chromalloy, Klock, and Union Carbide. The second type of TBS is applied by the electron beam-physical vapor deposition (EB-PVD) process by Temescal. The second year of the program was focused on specimenmore » procurement, TMC system characterization, nondestructive evaluation methods, life prediction model development, and TFE731 engine testing of thermal barrier coated blades. Materials testing is approaching completion. Thermomechanical characterization of the TBC systems, with toughness, and spalling strain tests, was completed. Thermochemical testing is approximately two-thirds complete. Preliminary materials life models for the bond coating oxidation and zirconia sintering failure modes were developed. Integration of these life models with airfoil component analysis methods is in progress. Testing of high pressure turbine blades coated with the program TBS systems is in progress in a TFE731 turbofan engine. Eddy current technology feasibility was established with respect to nondestructively measuring zirconia layer thickness of a TBC system.« less

Complete characterization of the stability of cluster synchronization in complex dynamical networks.

PubMed

Sorrentino, Francesco; Pecora, Louis M; Hagerstrom, Aaron M; Murphy, Thomas E; Roy, Rajarshi

2016-04-01

Synchronization is an important and prevalent phenomenon in natural and engineered systems. In many dynamical networks, the coupling is balanced or adjusted to admit global synchronization, a condition called Laplacian coupling. Many networks exhibit incomplete synchronization, where two or more clusters of synchronization persist, and computational group theory has recently proved to be valuable in discovering these cluster states based on the topology of the network. In the important case of Laplacian coupling, additional synchronization patterns can exist that would not be predicted from the group theory analysis alone. Understanding how and when clusters form, merge, and persist is essential for understanding collective dynamics, synchronization, and failure mechanisms of complex networks such as electric power grids, distributed control networks, and autonomous swarming vehicles. We describe a method to find and analyze all of the possible cluster synchronization patterns in a Laplacian-coupled network, by applying methods of computational group theory to dynamically equivalent networks. We present a general technique to evaluate the stability of each of the dynamically valid cluster synchronization patterns. Our results are validated in an optoelectronic experiment on a five-node network that confirms the synchronization patterns predicted by the theory.

Einstein's osmotic equilibrium of colloidal suspensions in conservative force fields

NASA Astrophysics Data System (ADS)

Fu, Jinxin; Ou-Yang, H. Daniel

2014-09-01

Predicted by Einstein in his 1905 paper on Brownian motion, colloidal particles in suspension reach osmotic equilibrium under gravity. The idea was demonstrated by J.B. Perrin to win Nobel Prize in Physics in 1926. We show Einstein's equation for osmotic equilibrium can be applied to colloids in a conservative force field generated by optical gradient forces. We measure the osmotic equation of state of 100nm Polystyrene latex particles in the presence of KCl salt and PEG polymer. We also obtain the osmotic compressibility, which is important for determining colloidal stability and the internal chemical potential, which is useful for predicting the phase transition of colloidal systems. This generalization allows for the use of any conservative force fields for systems ranging from colloidal systems to macromolecular solutions.

The role of microstructure and phase distribution in the failure mechanisms and life prediction model for PSZ coatings

NASA Technical Reports Server (NTRS)

Sisson, R. D., Jr.; Sone, Ichiro; Biederman, R. R.

1985-01-01

Partially Stabilized Zirconia (PSZ) may become widely used for Thermal Barrier Coatings (TBC). Failure of these coatings can occur due to thermal fatigue in oxidizing atmospheres. The failure is due to the strains that develop due to thermal gradients, differences in thermal expansion coefficients, and oxidation of the bond coating. The role of microstructure and the cubic, tetragonal, and monoclinic phase distribution in the strain development and subsequent failure will be discussed. An X-ray diffraction technique for accurate determination of the fraction of each phase in PSZ will be applied to understanding the phase transformations and strain development. These results will be discussed in terms of developing a model for life prediction in PSZ coatings during thermal cycling.

Comparisons of Predictions of the XB-70-1 Longitudinal Stability and Control Derivatives with Flight Results for Six Flight Conditions

NASA Technical Reports Server (NTRS)

Wolowicz, C. H.; Yancey, R. B.

1973-01-01

Preliminary correlations of flight-determined and predicted stability and control characteristics of the XB-70-1 reported in NASA TN D-4578 were subject to uncertainties in several areas which necessitated a review of prediction techniques particularly for the longitudinal characteristics. Reevaluation and updating of the original predictions, including aeroelastic corrections, for six specific flight-test conditions resulted in improved correlations of static pitch stability with flight data. The original predictions for the pitch-damping derivative, on the other hand, showed better correlation with flight data than the updated predictions. It appears that additional study is required in the application of aeroelastic corrections to rigid model wind-tunnel data and the theoretical determination of dynamic derivatives for this class of aircraft.

Stability Mechanisms of Laccase Isoforms using a Modified FoldX Protocol Applicable to Widely Different Proteins.

PubMed

Christensen, Niels J; Kepp, Kasper P

2013-07-09

A recent computational protocol that accurately predicts and rationalizes protein multisite mutant stabilities has been extended to handle widely different isoforms of laccases. We apply the protocol to four isoenzymes of Trametes versicolor laccase (TvL) with variable lengths (498-503 residues) and thermostability (Topt ∼ 45-80 °C) and with 67-77% sequence identity. The extended protocol uses (i) statistical averaging, (ii) a molecular-dynamics-validated "compromise" homology model to minimize bias that causes proteins close in sequence to a structural template to be too stable due to having the benefits of the better sampled template (typically from a crystal structure), (iii) correction for hysteresis that favors the input template to overdestabilize, and (iv) a preparative protocol to provide robust input sequences of equal length. The computed ΔΔG values are in good agreement with the major trends in experimental stabilities; that is, the approach may be applicable for fast estimates of the relative stabilities of proteins with as little as 70% identity, something that is currently extremely challenging. The computed stability changes associated with variations are Gaussian-distributed, in good agreement with experimental distributions of stability effects from mutation. The residues causing the differential stability of the four isoforms are consistent with a range of compiled laccase wild type data, suggesting that we may have identified general drivers of laccase stability. Several sites near Cu, notably 79, 241, and 245, or near substrate, mainly 265, are identified that contribute to stability-function trade-offs, of relevance to the search for new proficient and stable variants of these important industrial enzymes.

Fetal Heart Rate and Variability: Stability and Prediction to Developmental Outcomes in Early Childhood

ERIC Educational Resources Information Center

DiPietro, Janet A.; Bornstein, Marc H.; Hahn, Chun-Shin; Costigan, Kathleen; Achy-Brou, Aristide

2007-01-01

Stability in cardiac indicators before birth and their utility in predicting variation in postnatal development were examined. Fetal heart rate and variability were measured longitudinally from 20 through 38 weeks gestation (n = 137) and again at age 2 (n = 79). Significant within-individual stability during the prenatal period and into childhood…

Integrating Crystallography into Early Metabolism Studies

NASA Astrophysics Data System (ADS)

Cruciani, Gabriele; Aristei, Yasmin; Goracci, Laura; Carosati, Emanuele

Since bioavailability, activity, toxicity, distribution, and final elimination all depend on metabolic biotransformations, it would be extremely advantageous if this information to be produced early in the discovery phase. Once obtained, researchers can judge whether or not a potential candidate should be eliminated from the pipeline, or modified to improve chemical stability or safety. The use of in silico methods to predict the site of metabolism in Phase I cytochrome-mediated reactions is a starting point in any metabolic pathway prediction. This paper presents a new method, which provides the site of metabolism for any CYP-mediated reaction acting on unknown substrates. The methodology can be applied automatically to all the cytochromes whose Xray 3D structure is known, but can be also applied to homology model 3D structures. The fully automated procedure can be used to detect positions that should be protected in order to avoid metabolic degradation, or to check the suitability of a new scaffold or pro-drug. Therefore the procedure is also a valuable new tool in early ADME-Tox, where drug-safety and metabolic profile patterns must be evaluated as soon, and as early, as possible.

Modeling Driver Behavior near Intersections in Hidden Markov Model

PubMed Central

Li, Juan; He, Qinglian; Zhou, Hang; Guan, Yunlin; Dai, Wei

2016-01-01

Intersections are one of the major locations where safety is a big concern to drivers. Inappropriate driver behaviors in response to frequent changes when approaching intersections often lead to intersection-related crashes or collisions. Thus to better understand driver behaviors at intersections, especially in the dilemma zone, a Hidden Markov Model (HMM) is utilized in this study. With the discrete data processing, the observed dynamic data of vehicles are used for the inference of the Hidden Markov Model. The Baum-Welch (B-W) estimation algorithm is applied to calculate the vehicle state transition probability matrix and the observation probability matrix. When combined with the Forward algorithm, the most likely state of the driver can be obtained. Thus the model can be used to measure the stability and risk of driver behavior. It is found that drivers’ behaviors in the dilemma zone are of lower stability and higher risk compared with those in other regions around intersections. In addition to the B-W estimation algorithm, the Viterbi Algorithm is utilized to predict the potential dangers of vehicles. The results can be applied to driving assistance systems to warn drivers to avoid possible accidents. PMID:28009838

Pauling's electronegativity equation and a new corollary accurately predict bond dissociation enthalpies and enhance current understanding of the nature of the chemical bond.

PubMed

Matsunaga, Nikita; Rogers, Donald W; Zavitsas, Andreas A

2003-04-18

Contrary to other recent reports, Pauling's original electronegativity equation, applied as Pauling specified, describes quite accurately homolytic bond dissociation enthalpies of common covalent bonds, including highly polar ones, with an average deviation of +/-1.5 kcal mol(-1) from literature values for 117 such bonds. Dissociation enthalpies are presented for more than 250 bonds, including 79 for which experimental values are not available. Some previous evaluations of accuracy gave misleadingly poor results by applying the equation to cases for which it was not derived and for which it should not reproduce experimental values. Properly interpreted, the results of the equation provide new and quantitative insights into many facets of chemistry such as radical stabilities, factors influencing reactivity in electrophilic aromatic substitutions, the magnitude of steric effects, conjugative stabilization in unsaturated systems, rotational barriers, molecular and electronic structure, and aspects of autoxidation. A new corollary of the original equation expands its applicability and provides a rationale for previously observed empirical correlations. The equation raises doubts about a new bonding theory. Hydrogen is unique in that its electronegativity is not constant.

SteadyCom: Predicting microbial abundances while ensuring community stability

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

Chan, Siu Hung Joshua; Simons, Margaret N.; Maranas, Costas D.

Genome-scale metabolic modeling has become widespread for analyzing microbial metabolism. Extending this established paradigm to more complex microbial communities is emerging as a promising way to unravel the interactions and biochemical repertoire of these omnipresent systems. While several modeling techniques have been developed for microbial communities, little emphasis has been placed on the need to impose a time-averaged constant growth rate across all members for a community to ensure co-existence and stability. In the absence of this constraint, the faster growing organism will ultimately displace all other microbes in the community. This is particularly important for predicting steady-state microbiota compositionmore » as it imposes significant restrictions on the allowable community membership, composition and phenotypes. In this study, we introduce the SteadyCom optimization framework for predicting metabolic flux distributions consistent with the steady-state requirement. SteadyCom can be rapidly converged by iteratively solving linear programming (LP) problem and the number of iterations is independent of the number of organisms. A significant advantage of SteadyCom is compatibility with flux variability analysis. SteadyCom is first demonstrated for a community of four E. coli double auxotrophic mutants and is then applied to a gut microbiota model consisting of nine species, with representatives from the phyla Bacteroidetes, Firmicutes, Actinobacteria and Proteobacteria. In contrast to the direct use of FBA, SteadyCom is able to predict the change in species abundance in response to changes in diets with minimal additional imposed constraints on the model. Furthermore, by randomizing the uptake rates of microbes, an abundance profile with a good agreement to experimental gut microbiota is inferred. SteadyCom provides an important step towards the cross-cutting task of predicting the composition of a microbial community in a given environment.« less

SteadyCom: Predicting microbial abundances while ensuring community stability

DOE PAGES

Chan, Siu Hung Joshua; Simons, Margaret N.; Maranas, Costas D.; ...

2017-05-15

Genome-scale metabolic modeling has become widespread for analyzing microbial metabolism. Extending this established paradigm to more complex microbial communities is emerging as a promising way to unravel the interactions and biochemical repertoire of these omnipresent systems. While several modeling techniques have been developed for microbial communities, little emphasis has been placed on the need to impose a time-averaged constant growth rate across all members for a community to ensure co-existence and stability. In the absence of this constraint, the faster growing organism will ultimately displace all other microbes in the community. This is particularly important for predicting steady-state microbiota compositionmore » as it imposes significant restrictions on the allowable community membership, composition and phenotypes. In this study, we introduce the SteadyCom optimization framework for predicting metabolic flux distributions consistent with the steady-state requirement. SteadyCom can be rapidly converged by iteratively solving linear programming (LP) problem and the number of iterations is independent of the number of organisms. A significant advantage of SteadyCom is compatibility with flux variability analysis. SteadyCom is first demonstrated for a community of four E. coli double auxotrophic mutants and is then applied to a gut microbiota model consisting of nine species, with representatives from the phyla Bacteroidetes, Firmicutes, Actinobacteria and Proteobacteria. In contrast to the direct use of FBA, SteadyCom is able to predict the change in species abundance in response to changes in diets with minimal additional imposed constraints on the model. Furthermore, by randomizing the uptake rates of microbes, an abundance profile with a good agreement to experimental gut microbiota is inferred. SteadyCom provides an important step towards the cross-cutting task of predicting the composition of a microbial community in a given environment.« less

Predicting the stability of nanodevices

NASA Astrophysics Data System (ADS)

Lin, Z. Z.; Yu, W. F.; Wang, Y.; Ning, X. J.

2011-05-01

A simple model based on the statistics of single atoms is developed to predict the stability or lifetime of nanodevices without empirical parameters. Under certain conditions, the model produces the Arrhenius law and the Meyer-Neldel compensation rule. Compared with the classical molecular-dynamics simulations for predicting the stability of monatomic carbon chain at high temperature, the model is proved to be much more accurate than the transition state theory. Based on the ab initio calculation of the static potential, the model can give out a corrected lifetime of monatomic carbon and gold chains at higher temperature, and predict that the monatomic chains are very stable at room temperature.

Analysis of transitional separation bubbles on infinite swept wings

NASA Technical Reports Server (NTRS)

Davis, R. L.; Carter, J. E.

1986-01-01

A previously developed two-dimensional local inviscid-viscous interaction technique for the analysis of airfoil transitional separation bubbles, ALESEP (Airfoil Leading Edge Separation), has been extended for the calculation of transitional separation bubbles over infinite swept wings. As part of this effort, Roberts' empirical correlation, which is interpreted as a separated flow empirical extension of Mack's stability theory for attached flows, has been incorporated into the ALESEP procedure for the prediction of the transition location within the separation bubble. In addition, the viscous procedure used in the ALESEP techniques has been modified to allow for wall suction. A series of two-dimensional calculations is presented as a verification of the prediction capability of the interaction techniques with the Roberts' transition model. Numerical tests have shown that this two-dimensional natural transition correlation may also be applied to transitional separation bubbles over infinite swept wings. Results of the interaction procedure are compared with Horton's detailed experimental data for separated flow over a swept plate which demonstrates the accuracy of the present technique. Wall suction has been applied to a similar interaction calculation to demonstrate its effect on the separation bubble. The principal conclusion of this paper is that the prediction of transitional separation bubbles over two-dimensional or infinite swept geometries is now possible using the present interacting boundary layer approach.

A study of aeroelastic and structural dynamic effects in multi-rotor systems with application to hybrid heavy lift vehicles

NASA Technical Reports Server (NTRS)

Friedmann, P. P.

1984-01-01

An aeroelastic model suitable for the study of aeroelastic and structural dynamic effects in multirotor vehicles simulating a hybrid heavy lift vehicle was developed and applied to the study of a number of diverse problems. The analytical model developed proved capable of modeling a number of aeroelastic problems, namely: (1) isolated blade aeroelastic stability in hover and forward flight, (2) coupled rotor/fuselage aeromechanical problem in air or ground resonance, (3) tandem rotor coupled rotor/fuselage problems, and (4) the aeromechanical stability of a multirotor vehicle model representing a hybrid heavy lift airship (HHLA). The model was used to simulate the ground resonance boundaries of a three bladed hingeless rotor model, including the effect of aerodynamic loads, and the theoretical predictions compared well with experimental results. Subsequently the model was used to study the aeromechanical stability of a vehicle representing a hybrid heavy lift airship, and potential instabilities which could occur for this type of vehicle were identified. The coupling between various blade, supporting structure and rigid body modes was identified.

Analysis of galactosemia-linked mutations of GALT enzyme using a computational biology approach.

PubMed

Facchiano, A; Marabotti, A

2010-02-01

We describe the prediction of the structural and functional effects of mutations on the enzyme galactose-1-phosphate uridyltransferase related to the genetic disease galactosemia, using a fully computational approach. One hundred and seven single-point mutants were simulated starting from the structural model of the enzyme obtained by homology modeling methods. Several bioinformatics programs were then applied to each resulting mutant protein to analyze the effect of the mutations. The mutations have a direct effect on the active site, or on the dimer assembly and stability, or on the monomer stability. We describe how mutations may exert their effect at a molecular level by altering H-bonds, salt bridges, secondary structure or surface features. The alteration of protein stability, at level of monomer and/or dimer, is the main effect observed. We found an agreement between our results and the functional experimental data available in literature for some mutants. The data and analyses for all the mutants are fully available in the web-accessible database hosted at http://bioinformatica.isa.cnr.it/GALT.

The downside of goal-focused leadership: the role of personality in subordinate exhaustion.

PubMed

Perry, Sara Jansen; Witt, L A; Penney, Lisa M; Atwater, Leanne

2010-11-01

Exhaustion has a significant impact on employees and organizations, and leader behavior may affect it. We applied conservation of resources theory to test propositions regarding the joint effects of goal-focused leadership (GFL) and personality on employee exhaustion. We proposed that the relationship between GFL and exhaustion depends on employees' standing on both conscientiousness and emotional stability. Specifically, we expected that high-conscientiousness subordinates experience greater compatibility with a goal-focused leader because of their predisposition to direct resources toward achievement and goal setting, resulting in lower exhaustion under such a leader than among low-conscientiousness employees. Furthermore, high emotional stability may compensate for GFL incompatibility among low-conscientiousness employees by providing additional resources to manage GFL. In contrast, employees low on both traits likely experience greater exhaustion under a goal-focused leader compared with other employees. Results revealed a 3-way interaction in 2 independent samples and were generally supportive of our predictions. GFL was associated with heightened exhaustion among individuals in the low-emotional-stability, low-conscientiousness group but not among workers having any other trait combination. (c) 2010 APA, all rights reserved.

Random Forest Algorithm for the Classification of Neuroimaging Data in Alzheimer's Disease: A Systematic Review.

PubMed

Sarica, Alessia; Cerasa, Antonio; Quattrone, Aldo

2017-01-01

Objective: Machine learning classification has been the most important computational development in the last years to satisfy the primary need of clinicians for automatic early diagnosis and prognosis. Nowadays, Random Forest (RF) algorithm has been successfully applied for reducing high dimensional and multi-source data in many scientific realms. Our aim was to explore the state of the art of the application of RF on single and multi-modal neuroimaging data for the prediction of Alzheimer's disease. Methods: A systematic review following PRISMA guidelines was conducted on this field of study. In particular, we constructed an advanced query using boolean operators as follows: ("random forest" OR "random forests") AND neuroimaging AND ("alzheimer's disease" OR alzheimer's OR alzheimer) AND (prediction OR classification) . The query was then searched in four well-known scientific databases: Pubmed, Scopus, Google Scholar and Web of Science. Results: Twelve articles-published between the 2007 and 2017-have been included in this systematic review after a quantitative and qualitative selection. The lesson learnt from these works suggest that when RF was applied on multi-modal data for prediction of Alzheimer's disease (AD) conversion from the Mild Cognitive Impairment (MCI), it produces one of the best accuracies to date. Moreover, the RF has important advantages in terms of robustness to overfitting, ability to handle highly non-linear data, stability in the presence of outliers and opportunity for efficient parallel processing mainly when applied on multi-modality neuroimaging data, such as, MRI morphometric, diffusion tensor imaging, and PET images. Conclusions: We discussed the strengths of RF, considering also possible limitations and by encouraging further studies on the comparisons of this algorithm with other commonly used classification approaches, particularly in the early prediction of the progression from MCI to AD.

Evaluating the Effect of Minimizing Screws on Stabilization of Symphysis Mandibular Fracture by 3D Finite Element Analysis.

PubMed

Kharmanda, Ghias; Kharma, Mohamed-Yaser

2017-06-01

The objective of this work is to integrate structural optimization and reliability concepts into mini-plate fixation strategy used in symphysis mandibular fractures. The structural reliability levels are next estimated when considering a single failure mode and multiple failure modes. A 3-dimensional finite element model is developed in order to evaluate the ability of reducing the negative effect due to the stabilization of the fracture. Topology optimization process is considered in the conceptual design stage to predict possible fixation layouts. In the detailed design stage, suitable mini-plates are selected taking into account the resulting topology and different anatomical considerations. Several muscle forces are considered in order to obtain realistic predictions. Since some muscles can be cut or harmed during the surgery and cannot operate at its maximum capacity, there is a strong motivation to introduce the loading uncertainties in order to obtain reliable designs. The structural reliability is carried out for a single failure mode and multiple failure modes. The different results are validated with a clinical case of a male patient with symphysis fracture. In this case while use of the upper plate fixation with four holes, only two screws were applied to protect adjacent vital structure. This behavior does not affect the stability of the fracture. The proposed strategy to optimize bone plates leads to fewer complications and second surgeries, less patient discomfort, and shorter time of healing.

Equilibrium properties of simple metal thin films in the self-compressed stabilized jellium model.

PubMed

Mahmoodi, T; Payami, M

2009-07-01

In this work, we have applied the self-compressed stabilized jellium model to predict the equilibrium properties of isolated thin Al, Na and Cs slabs. To make a direct correspondence to atomic slabs, we have considered only those L values that correspond to n-layered atomic slabs with 2≤n≤20, for surface indices (100), (110), and (111). The calculations are based on the density functional theory and self-consistent solution of the Kohn-Sham equations in the local density approximation. Our results show that firstly, the quantum size effects are significant for slabs with sizes smaller than or near to the Fermi wavelength of the valence electrons λ(F), and secondly, some slabs expand while others contract with respect to the bulk spacings. Based on the results, we propose a criterion for realization of significant quantum size effects that lead to expansion of some thin slabs. For more justification of the criterion, we have tested it on Li slabs for 2≤n≤6. We have compared our Al results with those obtained from using all-electron or pseudo-potential first-principles calculations. This comparison shows excellent agreements for Al(100) work functions, and qualitatively good agreements for the other work functions and surface energies. These agreements justify the way we have used the self-compressed stabilized jellium model for the correct description of the properties of simple metal slab systems. On the other hand, our results for the work functions and surface energies of large- n slabs are in good agreement with those obtained from applying the stabilized jellium model for semi-infinite systems. In addition, we have performed the slab calculations in the presence of surface corrugation for selected Al slabs and have shown that the results are worsened.

The lucky image-motion prediction for simple scene observation based soft-sensor technology

NASA Astrophysics Data System (ADS)

Li, Yan; Su, Yun; Hu, Bin

2015-08-01

High resolution is important to earth remote sensors, while the vibration of the platforms of the remote sensors is a major factor restricting high resolution imaging. The image-motion prediction and real-time compensation are key technologies to solve this problem. For the reason that the traditional autocorrelation image algorithm cannot meet the demand for the simple scene image stabilization, this paper proposes to utilize soft-sensor technology in image-motion prediction, and focus on the research of algorithm optimization in imaging image-motion prediction. Simulations results indicate that the improving lucky image-motion stabilization algorithm combining the Back Propagation Network (BP NN) and support vector machine (SVM) is the most suitable for the simple scene image stabilization. The relative error of the image-motion prediction based the soft-sensor technology is below 5%, the training computing speed of the mathematical predication model is as fast as the real-time image stabilization in aerial photography.

One- and two-stage Arrhenius models for pharmaceutical shelf life prediction.

PubMed

Fan, Zhewen; Zhang, Lanju

2015-01-01

One of the most challenging aspects of the pharmaceutical development is the demonstration and estimation of chemical stability. It is imperative that pharmaceutical products be stable for two or more years. Long-term stability studies are required to support such shelf life claim at registration. However, during drug development to facilitate formulation and dosage form selection, an accelerated stability study with stressed storage condition is preferred to quickly obtain a good prediction of shelf life under ambient storage conditions. Such a prediction typically uses Arrhenius equation that describes relationship between degradation rate and temperature (and humidity). Existing methods usually rely on the assumption of normality of the errors. In addition, shelf life projection is usually based on confidence band of a regression line. However, the coverage probability of a method is often overlooked or under-reported. In this paper, we introduce two nonparametric bootstrap procedures for shelf life estimation based on accelerated stability testing, and compare them with a one-stage nonlinear Arrhenius prediction model. Our simulation results demonstrate that one-stage nonlinear Arrhenius method has significant lower coverage than nominal levels. Our bootstrap method gave better coverage and led to a shelf life prediction closer to that based on long-term stability data.

Statistical evaluation for stability studies under stress storage conditions.

PubMed

Gil-Alegre, M E; Bernabeu, J A; Camacho, M A; Torres-Suarez, A I

2001-11-01

During the pharmaceutical development of a new drug, it is necessary to select as soon as possible the formulation with the best stability characteristics. The current International Commission for Harmonisation (ICH) regulations regarding stability testing requirements for a Registration Application provide the stress testing conditions with the aim of assessing the effect of severe conditions on the drug product. In practice, the well-known Arrhenius theory is still used to make a rapid stability prediction, to estimate a drug product shelf life during early stages of its pharmaceutical development. In this work, both the planning of a stress stability study to obtain a correct stability prediction from a temperature extrapolation and the suitable data treatment to discern the reliability of the stability results are discussed. The study was focused on the early formulation step of a very stable drug, Mitonafide (antineoplastic agent), formulated in a parenteral solution and in tablets. It was observed, for the solid system, that the extrapolated results using Arrhenius theory might be statistically good, but far from the real situation if the stability study is not designed in a correct way. The statistical data treatment and the stress-stability test proposed in this work are suitable to make a reliable stability prediction of different formulations with the same drug, within its pharmaceutical development.

Mechanistic insights into chemical and photochemical transformations of bismuth vanadate photoanodes

PubMed Central

Toma, Francesca M.; Cooper, Jason K.; Kunzelmann, Viktoria; McDowell, Matthew T.; Yu, Jie; Larson, David M.; Borys, Nicholas J.; Abelyan, Christine; Beeman, Jeffrey W.; Yu, Kin Man; Yang, Jinhui; Chen, Le; Shaner, Matthew R.; Spurgeon, Joshua; Houle, Frances A.; Persson, Kristin A.; Sharp, Ian D.

2016-01-01

Artificial photosynthesis relies on the availability of semiconductors that are chemically stable and can efficiently capture solar energy. Although metal oxide semiconductors have been investigated for their promise to resist oxidative attack, materials in this class can suffer from chemical and photochemical instability. Here we present a methodology for evaluating corrosion mechanisms and apply it to bismuth vanadate, a state-of-the-art photoanode. Analysis of changing morphology and composition under solar water splitting conditions reveals chemical instabilities that are not predicted from thermodynamic considerations of stable solid oxide phases, as represented by the Pourbaix diagram for the system. Computational modelling indicates that photoexcited charge carriers accumulated at the surface destabilize the lattice, and that self-passivation by formation of a chemically stable surface phase is kinetically hindered. Although chemical stability of metal oxides cannot be assumed, insight into corrosion mechanisms aids development of protection strategies and discovery of semiconductors with improved stability. PMID:27377305

Biodiesel: Characterization by DSC and P-DSC

NASA Astrophysics Data System (ADS)

Chiriac, Rodica; Toche, François; Brylinski, Christian

Thermal analytical methods such as differential scanning calorimetry (DSC) have been successfully applied to neat petrodiesel and engine oils in the last 25 years. This chapter shows how DSC and P-DSC (pressurized DSC) techniques can be used to compare, characterize, and predict some properties of alternative non-petroleum fuels, such as cold flow behavior and oxidative stability. These two properties are extremely important with respect to the operability, transport, and long-term storage of biodiesel fuel. It is shown that the quantity of unsaturated fatty acids in the fuel composition has an important impact on both properties. In addition, it is shown that the impact of fuel additives on the oxidative stability or the cold flow behavior of biodiesel can be studied by means of DSC and P-DSC techniques. Thermomicroscopy can also be used to study the cold flow behavior of biodiesel, giving information on the size and the morphology of crystals formed at low temperature.

Symmetric and Asymmetric Tendencies in Stable Complex Systems

PubMed Central

Tan, James P. L.

2016-01-01

A commonly used approach to study stability in a complex system is by analyzing the Jacobian matrix at an equilibrium point of a dynamical system. The equilibrium point is stable if all eigenvalues have negative real parts. Here, by obtaining eigenvalue bounds of the Jacobian, we show that stable complex systems will favor mutualistic and competitive relationships that are asymmetrical (non-reciprocative) and trophic relationships that are symmetrical (reciprocative). Additionally, we define a measure called the interdependence diversity that quantifies how distributed the dependencies are between the dynamical variables in the system. We find that increasing interdependence diversity has a destabilizing effect on the equilibrium point, and the effect is greater for trophic relationships than for mutualistic and competitive relationships. These predictions are consistent with empirical observations in ecology. More importantly, our findings suggest stabilization algorithms that can apply very generally to a variety of complex systems. PMID:27545722

Symmetric and Asymmetric Tendencies in Stable Complex Systems.

PubMed

Tan, James P L

2016-08-22

A commonly used approach to study stability in a complex system is by analyzing the Jacobian matrix at an equilibrium point of a dynamical system. The equilibrium point is stable if all eigenvalues have negative real parts. Here, by obtaining eigenvalue bounds of the Jacobian, we show that stable complex systems will favor mutualistic and competitive relationships that are asymmetrical (non-reciprocative) and trophic relationships that are symmetrical (reciprocative). Additionally, we define a measure called the interdependence diversity that quantifies how distributed the dependencies are between the dynamical variables in the system. We find that increasing interdependence diversity has a destabilizing effect on the equilibrium point, and the effect is greater for trophic relationships than for mutualistic and competitive relationships. These predictions are consistent with empirical observations in ecology. More importantly, our findings suggest stabilization algorithms that can apply very generally to a variety of complex systems.

Using Magnetic Field Gradients to Simulate Variable Gravity in Fluids and Materials Experiments

NASA Technical Reports Server (NTRS)

Ramachandran, Narayanan

2006-01-01

Fluid flow due to a gravitational field is caused by sedimentation, thermal buoyancy, or solutal buoyancy induced convection. During crystal growth, for example, these flows are undesirable and can lead to crystal imperfections. While crystallization in microgravity can approach diffusion limited growth conditions (no convection), terrestrially strong magnetic fields can be used to control fluid flow and sedimentation effects. In this work, a theory is presented on the stability of solutal convection of a magnetized fluid(weak1y paramagnetic) in the presence of a magnetic field. The requirements for stability are developed and compared to experiments performed within the bore of a superconducting magnet. The theoretical predictions are in good agreement with the experiments. Extension of the technique can also be applied to study artificial gravity requirements for long duration exploration missions. Discussion of this application with preliminary experiments and application of the technique to crystal growth will be provided.

Attitude stability of spinning satellites

NASA Technical Reports Server (NTRS)

Caughey, T. K.

1980-01-01

Some problems of attitude stability of spinning satellites are treated in a rigorous manner. With certain restrictions, linearized stability analysis correctly predicts the attitude stability of spinning satellites, even in the critical cases of the Liapunov-Poincare stability theory.

Evaluation of variable selection methods for random forests and omics data sets.

PubMed

Degenhardt, Frauke; Seifert, Stephan; Szymczak, Silke

2017-10-16

Machine learning methods and in particular random forests are promising approaches for prediction based on high dimensional omics data sets. They provide variable importance measures to rank predictors according to their predictive power. If building a prediction model is the main goal of a study, often a minimal set of variables with good prediction performance is selected. However, if the objective is the identification of involved variables to find active networks and pathways, approaches that aim to select all relevant variables should be preferred. We evaluated several variable selection procedures based on simulated data as well as publicly available experimental methylation and gene expression data. Our comparison included the Boruta algorithm, the Vita method, recurrent relative variable importance, a permutation approach and its parametric variant (Altmann) as well as recursive feature elimination (RFE). In our simulation studies, Boruta was the most powerful approach, followed closely by the Vita method. Both approaches demonstrated similar stability in variable selection, while Vita was the most robust approach under a pure null model without any predictor variables related to the outcome. In the analysis of the different experimental data sets, Vita demonstrated slightly better stability in variable selection and was less computationally intensive than Boruta.In conclusion, we recommend the Boruta and Vita approaches for the analysis of high-dimensional data sets. Vita is considerably faster than Boruta and thus more suitable for large data sets, but only Boruta can also be applied in low-dimensional settings. © The Author 2017. Published by Oxford University Press.

Noun and Verb Production in Maternal and Child Language: Continuity, Stability, and Prediction across the Second Year of Life

ERIC Educational Resources Information Center

Longobardi, Emiddia; Spataro, Pietro; Putnick, Diane L.; Bornstein, Marc H.

2016-01-01

The present study examined continuity/discontinuity and stability/instability of noun and verb production measures in 30 child-mother dyads observed at 16 and 20 months, and predictive relations with the acquisition of nouns and verbs at 24 months. Children exhibited significant discontinuity and robust stability in the frequency of nouns and…

Development of a Predictive Model for the Long-Term Stability Assessment of Drug-In-Adhesive Transdermal Films Using Polar Pressure-Sensitive Adhesives as Carrier/Matrix.

PubMed

Chenevas-Paule, Clémence; Wolff, Hans-Michael; Ashton, Mark; Schubert, Martin; Dodou, Kalliopi

2017-05-01

Drug crystallization in transdermal drug delivery systems is a critical quality defect. The impact of drug load and hydration on the physical stability of polar (acrylic) drug-in-adhesive (DIA) films was investigated with the objective to identify predictive formulation parameters with respect to drug solubility and long-term stability. Medicated acrylic films were prepared over a range of drug concentrations below and above saturation solubility and were characterized by Fourier transform infrared spectroscopy, differential scanning calorimetry, polarized microscopy, and dynamic vapor sorption (DVS) analysis. Physical stability of medicated films was monitored over 4 months under different storage conditions and was dependent on solubility parameters, Gibbs free energy for drug phase transition from the amorphous to the crystalline state, and relative humidity. DVS data, for assessing H-bonding capacity experimentally, were essential to predict physical stability at different humidities and were used together with Gibbs free energy change and the Hoffman equation to develop a new predictive thermodynamic model to estimate drug solubility and stability in DIA films taking into account relative humidity. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Predictors of In-Hospital Mortality after Decompressive Hemicraniectomy for Malignant Ischemic Stroke.

PubMed

Kamran, Saadat; Salam, Abdul; Akhtar, Naveed; Alboudi, Aymen; Ahmad, Arsalan; Khan, Rabia; Nazir, Rashed; Nadeem, Muhammad; Inshasi, Jihad; ElSotouhy, Ahmed; Al Sulaiti, Ghanim; Shuaib, Ashfaq

2017-09-01

The purpose of this retrospective multicenter, pooled-data analysis was to determine the factors associated with in-hospital mortality in decompressive hemicraniectomy (DHC) for malignant middle cerebral artery (MMCA) stroke. The authors reviewed pooled DHC database from 3 countries for patients with MMCA with hospital mortality in spite of DHC to identify factors that predicted in-hospital mortality after DHC. The identified factors were applied to the group of patients who were selected for DHC but either refused surgery and died or stabilized and did not undergo DHC. There were 137 patients who underwent DHC. Multiple logistic regression analysis showed middle cerebral artery (MCA) with additional infarcts (odds ratio [OR], 7.9: 95% confidence interval [CI], 2.4-26; P = .001), preoperative midline shift of septum pellucidum of 1 cm or more (OR, 3.83: 95% CI, 1.13-12.96; P = .031), and patients who remained unconscious on day 7 postoperatively (8.82: 95% CI; OR, 1.08-71.9; P = .042) were significant independent predictors for in-hospital mortality. The identified factors were applied to the group of MMCA patients not operated (n = 19 refused, n = 47 stabilized) single (P < .001), and two predictive factors (P < .001) were significantly more common in patients who died. Whereas two predicative factors were identified in only 9%-18.2% of survivors, the presence of all three predictive factors was seen only in patients who expired (P < .001). The Hosmer-Lemeshow goodness-of-fit statistics (chi-square = 4.65; P value = .589) indicate that the model adequately describes the data. Direct physical factors, such as MCA with additional territory infarct, extent of midline shift, and postoperative consciousness level, bore a significant relationship to in-hospital mortality in MMCA patients undergoing DHC. Copyright © 2017 National Stroke Association. Published by Elsevier Inc. All rights reserved.

Rapid and accurate prediction of degradant formation rates in pharmaceutical formulations using high-performance liquid chromatography-mass spectrometry.

PubMed

Darrington, Richard T; Jiao, Jim

2004-04-01

Rapid and accurate stability prediction is essential to pharmaceutical formulation development. Commonly used stability prediction methods include monitoring parent drug loss at intended storage conditions or initial rate determination of degradants under accelerated conditions. Monitoring parent drug loss at the intended storage condition does not provide a rapid and accurate stability assessment because often <0.5% drug loss is all that can be observed in a realistic time frame, while the accelerated initial rate method in conjunction with extrapolation of rate constants using the Arrhenius or Eyring equations often introduces large errors in shelf-life prediction. In this study, the shelf life prediction of a model pharmaceutical preparation utilizing sensitive high-performance liquid chromatography-mass spectrometry (LC/MS) to directly quantitate degradant formation rates at the intended storage condition is proposed. This method was compared to traditional shelf life prediction approaches in terms of time required to predict shelf life and associated error in shelf life estimation. Results demonstrated that the proposed LC/MS method using initial rates analysis provided significantly improved confidence intervals for the predicted shelf life and required less overall time and effort to obtain the stability estimation compared to the other methods evaluated. Copyright 2004 Wiley-Liss, Inc. and the American Pharmacists Association.

Stability of horizontal viscous fluid layers in a vertical arbitrary time periodic electric field

NASA Astrophysics Data System (ADS)

Bandopadhyay, Aditya; Hardt, Steffen

2017-12-01

The stability of a horizontal interface between two viscous fluids, one of which is conducting and the other is dielectric, acted upon by a vertical time-periodic electric field is considered theoretically. The two fluids are bounded by electrodes separated by a finite distance. For an applied ac electric field, the unstable interface deforms in a time periodic manner, owing to the time dependent Maxwell stress, and is characterized by the oscillation frequency which may or may not be the same as the frequency of the ac electric field. The stability curve, which relates the critical voltage, manifested through the Mason number—the ratio of normal electric stress and viscous stress, and the instability wavenumber at the onset of the instability, is obtained by means of the Floquet theory for a general arbitrary time periodic electric field. The limit of vanishing viscosities is shown to be in excellent agreement with the marginal stability curves predicted by means of a Mathieu equation. The influence of finite viscosity and electrode separation is discussed in relation to the ideal case of inviscid fluids. The methodology to obtain the marginal stability curves developed here is applicable to any arbitrary but time periodic signal, as demonstrated for the case of a signal with two different frequencies, and four different frequencies with a dc offset. The mode coupling in the interfacial normal stress leads to appearance of harmonic and subharmonic modes, characterized by the frequency of the oscillating interface at an integral or half-integral multiple of the applied frequency, respectively. This is in contrast to the application of a voltage with a single frequency which always leads to a harmonic mode oscillation of the interface. Whether a harmonic or subharmonic mode is the most unstable one depends on details of the excitation signal.

A coupled distributed hydrological-stability analysis on a terraced slope of Valtellina (northern Italy)

NASA Astrophysics Data System (ADS)

Camera, C.; Apuani, T.; Masetti, M.

2013-02-01

The aim of this work was to understand and reproduce the hydrological dynamics of a slope, which was terraced using dry-stone retaining walls and its response to these processes in terms of stability at the slope scale. The slope studied is located in Valtellina (northern Italy), near the village of Tresenda, and in the last 30 yr has experienced several soil slip/debris flow events. In 1983 alone, such events caused the death of 18 people. Direct observation of the events of 1983 enabled the principal triggering cause of these events to be recognized in the formation of an overpressure at the base of a dry-stone wall, which caused its failure. To perform the analyses it is necessary to include the presence of dry-stone walls, considering the importance they have in influencing hydrological and geotechnical processes at the slope scale. This requires a very high resolution DEM (1 m × 1 m because the walls are from 0.60 m to 1.0 m wide) that has been appositely derived. A hydrogeological raster-based model, which takes into account both the unsaturated and saturated flux components, was applied. This was able to identify preferential infiltration zones and was rather precise in the prediction of maximum groundwater levels, providing valid input for the distributed stability analysis. Results of the hydrogeological model were used for the successive stability analysis. Sections of terrace were identified from the downslope base of a retaining wall to the top of the next downslope retaining wall. Within each section a global method of equilibrium was applied to determine its safety factor. The stability model showed a general tendency to overestimate the amount of unstable areas. An investigation of the causes of this unexpected behavior was, therefore, also performed in order to progressively improve the reliability of the model.

Development of a Predictive Model for the Stabilizer Concentration Estimation in Microreservoir Transdermal Drug Delivery Systems Using Lipophilic Pressure-Sensitive Adhesives as Matrix/Carrier.

PubMed

Chenevas-Paule, Clémence; Wolff, Hans-Michael; Ashton, Mark; Schubert, Martin; Dodou, Kalliopi

2017-05-01

Microreservoir-type transdermal drug delivery systems (MTDDS) can prevent drug crystallization; however, no current predictive model considers the impact of drug load and hydration on their physical stability. We investigated MTDDS films containing polyvinylpyrrolidone (PVP) as polymeric drug stabilizer in lipophilic pressure-sensitive adhesive (silicone). Medicated and unmedicated silicone films with different molar N-vinylpyrrolidone:drug ratios were prepared and characterized by Fourier transform infrared spectroscopy, differential scanning calorimetry, scanning electron microscopy, microscopy, dynamic vapor sorption (DVS), and stability testing for 4 months at different storage conditions. Homogeneously distributed drug-PVP associates were observed when nonaqueous emulsions, containing drug-PVP (inner phase) and silicone adhesive (outer phase), were dried to films. DVS data were essential to predict physical stability at different humidities. A predictive thermodynamic model was developed based on drug-polymer hydrogen-bonding interactions, using the Hoffman equation, to estimate the drug-PVP ratio needed to obtain stable MTDDS and to evaluate the impact of humidity on their physical stability. This new approach considers the impact of polymorphism on drug solubility by using easily accessible experimental data (T m and DVS) and avoids uncertainties associated with the solubility parameter approach. In conclusion, a good fit of predicted and experimental data was observed. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Dynamic stability of passive dynamic walking on an irregular surface.

PubMed

Su, Jimmy Li-Shin; Dingwell, Jonathan B

2007-12-01

Falls that occur during walking are a significant health problem. One of the greatest impediments to solve this problem is that there is no single obviously "correct" way to quantify walking stability. While many people use variability as a proxy for stability, measures of variability do not quantify how the locomotor system responds to perturbations. The purpose of this study was to determine how changes in walking surface variability affect changes in both locomotor variability and stability. We modified an irreducibly simple model of walking to apply random perturbations that simulated walking over an irregular surface. Because the model's global basin of attraction remained fixed, increasing the amplitude of the applied perturbations directly increased the risk of falling in the model. We generated ten simulations of 300 consecutive strides of walking at each of six perturbation amplitudes ranging from zero (i.e., a smooth continuous surface) up to the maximum level the model could tolerate without falling over. Orbital stability defines how a system responds to small (i.e., "local") perturbations from one cycle to the next and was quantified by calculating the maximum Floquet multipliers for the model. Local stability defines how a system responds to similar perturbations in real time and was quantified by calculating short-term and long-term local exponential rates of divergence for the model. As perturbation amplitudes increased, no changes were seen in orbital stability (r(2)=2.43%; p=0.280) or long-term local instability (r(2)=1.0%; p=0.441). These measures essentially reflected the fact that the model never actually "fell" during any of our simulations. Conversely, the variability of the walker's kinematics increased exponentially (r(2)>or=99.6%; p<0.001) and short-term local instability increased linearly (r(2)=88.1%; p<0.001). These measures thus predicted the increased risk of falling exhibited by the model. For all simulated conditions, the walker remained orbitally stable, while exhibiting substantial local instability. This was because very small initial perturbations diverged away from the limit cycle, while larger initial perturbations converged toward the limit cycle. These results provide insight into how these different proposed measures of walking stability are related to each other and to risk of falling.

Passivity-Based Control for Two-Wheeled Robot Stabilization

NASA Astrophysics Data System (ADS)

Uddin, Nur; Aryo Nugroho, Teguh; Agung Pramudito, Wahyu

2018-04-01

A passivity-based control system design for two-wheeled robot (TWR) stabilization is presented. A TWR is a statically-unstable non-linear system. A control system is applied to actively stabilize the TWR. Passivity-based control method is applied to design the control system. The design results in a state feedback control law that makes the TWR closed loop system globally asymptotically stable (GAS). The GAS is proven mathematically. The TWR stabilization is demonstrated through computer simulation. The simulation results show that the designed control system is able to stabilize the TWR.

Collaborative Research: Robust Climate Projections and Stochastic Stability of Dynamical Systems

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

Ilya Zaliapin

This project focused on conceptual exploration of El Nino/Southern Oscillation (ENSO) variability and sensitivity using a Delay Differential Equation developed in the project. We have (i) established the existence and continuous dependence of solutions of the model (ii) explored multiple models solutions, and the distribution of solutions extrema, and (iii) established and explored the phase locking phenomenon and the existence of multiple solutions for the same values of model parameters. In addition, we have applied to our model the concept of pullback attractor, which greatly facilitated predictive understanding of the nonlinear model's behavior.

Filament Tension and Phase Locking of Meandering Scroll Waves

NASA Astrophysics Data System (ADS)

Dierckx, Hans; Biktasheva, I. V.; Verschelde, H.; Panfilov, A. V.; Biktashev, V. N.

2017-12-01

Meandering spiral waves are often observed in excitable media such as the Belousov-Zhabotinsky reaction and cardiac tissue. We derive a theory for drift dynamics of meandering rotors in general reaction-diffusion systems and apply it to two types of external disturbances: an external field and curvature-induced drift in three dimensions. We find two distinct regimes: with small filament curvature, meandering scroll waves exhibit filament tension, whose sign determines the stability and drift direction. In the regimes of strong external fields or meandering motion close to resonance, however, phase locking of the meander pattern is predicted and observed.

Filament Tension and Phase Locking of Meandering Scroll Waves.

PubMed

Dierckx, Hans; Biktasheva, I V; Verschelde, H; Panfilov, A V; Biktashev, V N

2017-12-22

Meandering spiral waves are often observed in excitable media such as the Belousov-Zhabotinsky reaction and cardiac tissue. We derive a theory for drift dynamics of meandering rotors in general reaction-diffusion systems and apply it to two types of external disturbances: an external field and curvature-induced drift in three dimensions. We find two distinct regimes: with small filament curvature, meandering scroll waves exhibit filament tension, whose sign determines the stability and drift direction. In the regimes of strong external fields or meandering motion close to resonance, however, phase locking of the meander pattern is predicted and observed.

Product development: using a 3D computer model to optimize the stability of the Rocket powered wheelchair.

PubMed

Pinkney, S; Fernie, G

2001-01-01

A three-dimensional (3D) lumped-parameter model of a powered wheelchair was created to aid the development of the Rocket prototype wheelchair and to help explore the effect of innovative design features on its stability. The model was developed using simulation software, specifically Working Model 3D. The accuracy of the model was determined by comparing both its static stability angles and dynamic behavior as it passed down a 4.8-cm (1.9") road curb at a heading of 45 degrees with the performance of the actual wheelchair. The model's predictions of the static stability angles in the forward, rearward, and lateral directions were within 9.3, 7.1, and 3.8% of the measured values, respectively. The average absolute error in the predicted position of the wheelchair as it moved down the curb was 2.2 cm/m (0.9" per 3'3") traveled. The accuracy was limited by the inability to model soft bodies, the inherent difficulties in modeling a statically indeterminate system, and the computing time. Nevertheless, it was found to be useful in investigating the effect of eight design alterations on the lateral stability of the wheelchair. Stability was quantified by determining the static lateral stability angles and the maximum height of a road curb over which the wheelchair could successfully drive on a diagonal heading. The model predicted that the stability was more dependent on the configuration of the suspension system than on the dimensions and weight distribution of the wheelchair. Furthermore, for the situations and design alterations studied, predicted improvements in static stability were not correlated with improvements in dynamic stability.

Hierarchical polymerized high internal phase emulsions synthesized from surfactant-stabilized emulsion templates.

PubMed

Wong, Ling L C; Villafranca, Pedro M Baiz; Menner, Angelika; Bismarck, Alexander

2013-05-21

In building construction, structural elements, such as lattice girders, are positioned specifically to support the mainframe of a building. This arrangement provides additional structural hierarchy, facilitating the transfer of load to its foundation while keeping the building weight down. We applied the same concept when synthesizing hierarchical open-celled macroporous polymers from high internal phase emulsion (HIPE) templates stabilized by varying concentrations of a polymeric non-ionic surfactant from 0.75 to 20 w/vol %. These hierarchical poly(merized)HIPEs have multimodally distributed pores, which are efficiently arranged to enhance the load transfer mechanism in the polymer foam. As a result, hierarchical polyHIPEs produced from HIPEs stabilized by 5 vol % surfactant showed a 93% improvement in Young's moduli compared to conventional polyHIPEs produced from HIPEs stabilized by 20 vol % of surfactant with the same porosity of 84%. The finite element method (FEM) was used to determine the effect of pore hierarchy on the mechanical performance of porous polymers under small periodic compressions. Results from the FEM showed a clear improvement in Young's moduli for simulated hierarchical porous geometries. This methodology could be further adapted as a predictive tool to determine the influence of hierarchy on the mechanical properties of a range of porous materials.

Dynamic diagnostics of the error fields in tokamaks

NASA Astrophysics Data System (ADS)

Pustovitov, V. D.

2007-07-01

The error field diagnostics based on magnetic measurements outside the plasma is discussed. The analysed methods rely on measuring the plasma dynamic response to the finite-amplitude external magnetic perturbations, which are the error fields and the pre-programmed probing pulses. Such pulses can be created by the coils designed for static error field correction and for stabilization of the resistive wall modes, the technique developed and applied in several tokamaks, including DIII-D and JET. Here analysis is based on the theory predictions for the resonant field amplification (RFA). To achieve the desired level of the error field correction in tokamaks, the diagnostics must be sensitive to signals of several Gauss. Therefore, part of the measurements should be performed near the plasma stability boundary, where the RFA effect is stronger. While the proximity to the marginal stability is important, the absolute values of plasma parameters are not. This means that the necessary measurements can be done in the diagnostic discharges with parameters below the nominal operating regimes, with the stability boundary intentionally lowered. The estimates for ITER are presented. The discussed diagnostics can be tested in dedicated experiments in existing tokamaks. The diagnostics can be considered as an extension of the 'active MHD spectroscopy' used recently in the DIII-D tokamak and the EXTRAP T2R reversed field pinch.

Prediction of the solvent affecting site and the computational design of stable Candida antarctica lipase B in a hydrophilic organic solvent.

PubMed

Park, Hyun June; Joo, Jeong Chan; Park, Kyungmoon; Kim, Yong Hwan; Yoo, Young Je

2013-02-10

Enzyme reactions in organic solvent such as for organic synthesis have great industrial potential. However, enzymes lose their stability in hydrophilic organic solvents due to the deformation of the enzyme by the solvent. It is thus important to enhance the stability of enzymes in hydrophilic organic solvents. Previous approaches have not considered on the interaction between enzymes and solvents due to the lack of information. In this study, the structural motions of the enzyme in methanol cosolvent and the interaction between the enzyme surface and the solvent molecule were investigated using molecular dynamics simulation (MD). By analyzing the MD simulation results, the surface residues of Candida antarctica lipase B (CalB) with higher root mean square deviation (RMSD) in a methanol solvent were considered as methanol affecting site and selected for site-directed mutagenesis. The methanol affecting site was computationally redesigned by lowering the RMSD. Among the candidate mutants, the A8T, A92E, N97Q and T245S mutants showed higher organic solvent stability at various methanol concentrations. The rational approach developed in this study could be applied to the stabilization of other industrial enzymes used in organic solvents. Copyright © 2012 Elsevier B.V. All rights reserved.

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

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

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

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

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

DOE PAGES

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

2016-01-04

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

The Stability of Social Desirability: A Latent Change Analysis.

PubMed

Haberecht, Katja; Schnuerer, Inga; Gaertner, Beate; John, Ulrich; Freyer-Adam, Jennis

2015-08-01

Social desirability has been shown to be stable in samples with higher school education. However, little is known about the stability of social desirability in more heterogeneous samples differing in school education. This study aimed to investigate the stability of social desirability and which factors predict interindividual differences in intraindividual change. As part of a randomized controlled trial, 1,243 job seekers with unhealthy alcohol use were systematically recruited at three job agencies. A total of 1,094 individuals (87.8%) participated in at least one of two follow-ups (6 and 15 months after baseline) and constitute this study's sample. The Social Desirability Scale-17 was applied. Two latent change models were conducted: Model 1 tested for interindividual differences in intraindividual change of social desirability between both follow-ups; Model 2 included possible predictors (age, sex, education, current employment status) of interindividual differences in intraindividual change. Model 1 revealed a significant decrease of social desirability over time. Model 2 revealed school education to be the only significant predictor of change. These findings indicate that stability of social desirability may depend on school education. It may not be as stable in individuals with higher school education as in individuals with lower education. © 2014 Wiley Periodicals, Inc.

Stability of DIII-D high-performance, negative central shear discharges

DOE PAGES

Hanson, Jeremy M.; Berkery, John W.; Bialek, James M.; ...

2017-03-20

Tokamak plasma experiments on the DIII-D device demonstrate high-performance, negative central shear (NCS) equilibria with enhanced stability when the minimum safety factor q min exceeds 2, qualitatively confirming theoretical predictions of favorable stability in the NCS regime. The discharges exhibit good confinement with an L-mode enhancement factor H 89 = 2.5, and are ultimately limited by the ideal-wall external kink stability boundary as predicted by ideal MHD theory, as long as tearing mode (TM) locking events, resistive wall modes (RWMs), and internal kink modes are properly avoided or controlled. Although the discharges exhibit rotating TMs, locking events are avoided asmore » long as a threshold minimum safety factor value q min > 2 is maintained. Fast timescale magnetic feedback control ameliorates RWM activity, expanding the stable operating space and allowing access to β N values approaching the ideal-wall limit. Quickly growing and rotating instabilities consistent with internal kink mode dynamics are encountered when the ideal-wall limit is reached. The RWM events largely occur between the no- and ideal-wall pressure limits predicted by ideal MHD. However, evaluating kinetic contributions to the RWM dispersion relation results in a prediction of passive stability in this regime due to high plasma rotation. In addition, the ideal MHD stability analysis predicts that the ideal-wall limit can be further increased to β N > 4 by broadening the current profile. Furthermore, this path toward improved stability has the potential advantage of being compatible with the bootstrap-dominated equilibria envisioned for advanced tokamak (AT) fusion reactors.« less

Stability of DIII-D high-performance, negative central shear discharges

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

Hanson, Jeremy M.; Berkery, John W.; Bialek, James M.

Tokamak plasma experiments on the DIII-D device demonstrate high-performance, negative central shear (NCS) equilibria with enhanced stability when the minimum safety factor q min exceeds 2, qualitatively confirming theoretical predictions of favorable stability in the NCS regime. The discharges exhibit good confinement with an L-mode enhancement factor H 89 = 2.5, and are ultimately limited by the ideal-wall external kink stability boundary as predicted by ideal MHD theory, as long as tearing mode (TM) locking events, resistive wall modes (RWMs), and internal kink modes are properly avoided or controlled. Although the discharges exhibit rotating TMs, locking events are avoided asmore » long as a threshold minimum safety factor value q min > 2 is maintained. Fast timescale magnetic feedback control ameliorates RWM activity, expanding the stable operating space and allowing access to β N values approaching the ideal-wall limit. Quickly growing and rotating instabilities consistent with internal kink mode dynamics are encountered when the ideal-wall limit is reached. The RWM events largely occur between the no- and ideal-wall pressure limits predicted by ideal MHD. However, evaluating kinetic contributions to the RWM dispersion relation results in a prediction of passive stability in this regime due to high plasma rotation. In addition, the ideal MHD stability analysis predicts that the ideal-wall limit can be further increased to β N > 4 by broadening the current profile. Furthermore, this path toward improved stability has the potential advantage of being compatible with the bootstrap-dominated equilibria envisioned for advanced tokamak (AT) fusion reactors.« less

On-line determination of transient stability status using multilayer perceptron neural network

NASA Astrophysics Data System (ADS)

Frimpong, Emmanuel Asuming; Okyere, Philip Yaw; Asumadu, Johnson

2018-01-01

A scheme to predict transient stability status following a disturbance is presented. The scheme is activated upon the tripping of a line or bus and operates as follows: Two samples of frequency deviation values at all generator buses are obtained. At each generator bus, the maximum frequency deviation within the two samples is extracted. A vector is then constructed from the extracted maximum frequency deviations. The Euclidean norm of the constructed vector is calculated and then fed as input to a trained multilayer perceptron neural network which predicts the stability status of the system. The scheme was tested using data generated from the New England test system. The scheme successfully predicted the stability status of all two hundred and five disturbance test cases.

Prediction of the translocon-mediated membrane insertion free energies of protein sequences.

PubMed

Park, Yungki; Helms, Volkhard

2008-05-15

Helical membrane proteins (HMPs) play crucial roles in a variety of cellular processes. Unlike water-soluble proteins, HMPs need not only to fold but also get inserted into the membrane to be fully functional. This process of membrane insertion is mediated by the translocon complex. Thus, it is of great interest to develop computational methods for predicting the translocon-mediated membrane insertion free energies of protein sequences. We have developed Membrane Insertion (MINS), a novel sequence-based computational method for predicting the membrane insertion free energies of protein sequences. A benchmark test gives a correlation coefficient of 0.74 between predicted and observed free energies for 357 known cases, which corresponds to a mean unsigned error of 0.41 kcal/mol. These results are significantly better than those obtained by traditional hydropathy analysis. Moreover, the ability of MINS to reasonably predict membrane insertion free energies of protein sequences allows for effective identification of transmembrane (TM) segments. Subsequently, MINS was applied to predict the membrane insertion free energies of 316 TM segments found in known structures. An in-depth analysis of the predicted free energies reveals a number of interesting findings about the biogenesis and structural stability of HMPs. A web server for MINS is available at http://service.bioinformatik.uni-saarland.de/mins

A method for probing the mutational landscape of amyloid structure.

PubMed

O'Donnell, Charles W; Waldispühl, Jérôme; Lis, Mieszko; Halfmann, Randal; Devadas, Srinivas; Lindquist, Susan; Berger, Bonnie

2011-07-01

Proteins of all kinds can self-assemble into highly ordered β-sheet aggregates known as amyloid fibrils, important both biologically and clinically. However, the specific molecular structure of a fibril can vary dramatically depending on sequence and environmental conditions, and mutations can drastically alter amyloid function and pathogenicity. Experimental structure determination has proven extremely difficult with only a handful of NMR-based models proposed, suggesting a need for computational methods. We present AmyloidMutants, a statistical mechanics approach for de novo prediction and analysis of wild-type and mutant amyloid structures. Based on the premise of protein mutational landscapes, AmyloidMutants energetically quantifies the effects of sequence mutation on fibril conformation and stability. Tested on non-mutant, full-length amyloid structures with known chemical shift data, AmyloidMutants offers roughly 2-fold improvement in prediction accuracy over existing tools. Moreover, AmyloidMutants is the only method to predict complete super-secondary structures, enabling accurate discrimination of topologically dissimilar amyloid conformations that correspond to the same sequence locations. Applied to mutant prediction, AmyloidMutants identifies a global conformational switch between Aβ and its highly-toxic 'Iowa' mutant in agreement with a recent experimental model based on partial chemical shift data. Predictions on mutant, yeast-toxic strains of HET-s suggest similar alternate folds. When applied to HET-s and a HET-s mutant with core asparagines replaced by glutamines (both highly amyloidogenic chemically similar residues abundant in many amyloids), AmyloidMutants surprisingly predicts a greatly reduced capacity of the glutamine mutant to form amyloid. We confirm this finding by conducting mutagenesis experiments. Our tool is publically available on the web at http://amyloid.csail.mit.edu/. lindquist_admin@wi.mit.edu; bab@csail.mit.edu.

Stability Analysis of Finite Difference Schemes for Hyperbolic Systems, and Problems in Applied and Computational Linear Algebra.

DTIC Science & Technology

FINITE DIFFERENCE THEORY, * LINEAR ALGEBRA , APPLIED MATHEMATICS, APPROXIMATION(MATHEMATICS), BOUNDARY VALUE PROBLEMS, COMPUTATIONS, HYPERBOLAS, MATHEMATICAL MODELS, NUMERICAL ANALYSIS, PARTIAL DIFFERENTIAL EQUATIONS, STABILITY.

Equivalent circuit model of converse magnetoelectric effect for the tri-layer magnetoelectric laminates with thermal and stress loadings

NASA Astrophysics Data System (ADS)

Zhou, Hao-Miao; Li, Meng-Han; Liu, Hui; Cui, Xiao-Le

2015-12-01

For the converse magnetoelectric coupling effect of the piezoelectric/magnetostrictive/piezoelectric tri-layer symmetric magnetoelectric laminates, based on the nonlinear thermo-magneto-mechanical constitutive equations of the giant magnetostrictive materials and the thermo-electro-mechanical constitutive equations of the piezoelectric materials, according to Newton's second law and the magnetic circuit theorem, an equivalent circuit is established. Then an expression of the converse magnetoelectric coefficient describing nonlinear thermo-magneto-electro-mechanical coupling is established. The curve of the nonlinear converse magnetoelectric coefficient versus the bias magnetic field, is predicted effectively by the expression, and the predictions are in good agreement with the experimental result both qualitatively and quantitatively. Furthermore, the model can predict the complex influences of the bias magnetic field, the stress and the ambient temperature on the converse magnetoelectric coefficient. It can be found from these predictions that the converse magnetoelectric coefficient decreases with the increasing temperature and increases with the increasing tensile stress. Under the common effect of the ambient temperature and the stress, it is also found that the converse magnetoelectric coefficient changes sharply with the ambient temperature when the tensile stress is applied on the laminates, but it has a good stability of temperature when a large compressive stress is applied. Therefore, this work contributes to the researches on the giant converse magnetoelectric coefficient and the designs of magnetoelectric devices based on the converse magnetoelectric coupling.

The dynamic-response characteristics of a 35 degree swept-wing airplane as determined from flight measurements

NASA Technical Reports Server (NTRS)

Triplett, William C; Brown, Stuart C; Smith, G Allan

1955-01-01

The longitudinal and lateral-directional dynamic-response characteristics of a 35 degree swept-wing fighter-type airplane determined from flight measurements are presented and compared with predictions based on theoretical studies and wind-tunnel data. Flights were made at an altitude of 35,000 feet covering the Mach number range of 0.50 to 1.04. A limited amount of lateral-directional data were also obtained at 10,000 feet. The flight consisted essentially of recording transient responses to pilot-applied pulsed motions of each of the three primary control surfaces. These transient data were converted into frequency-response form by means of the Fourier transformation and compared with predicted responses calculated from the basic equations. Experimentally determined transfer functions were used for the evaluation of the stability derivatives that have the greatest effect on the dynamic response of the airplane. The values of these derivatives, in most cases, agreed favorably with predictions over the Mach number range of the test.

Combining Structural Modeling with Ensemble Machine Learning to Accurately Predict Protein Fold Stability and Binding Affinity Effects upon Mutation

PubMed Central

Garcia Lopez, Sebastian; Kim, Philip M.

2014-01-01

Advances in sequencing have led to a rapid accumulation of mutations, some of which are associated with diseases. However, to draw mechanistic conclusions, a biochemical understanding of these mutations is necessary. For coding mutations, accurate prediction of significant changes in either the stability of proteins or their affinity to their binding partners is required. Traditional methods have used semi-empirical force fields, while newer methods employ machine learning of sequence and structural features. Here, we show how combining both of these approaches leads to a marked boost in accuracy. We introduce ELASPIC, a novel ensemble machine learning approach that is able to predict stability effects upon mutation in both, domain cores and domain-domain interfaces. We combine semi-empirical energy terms, sequence conservation, and a wide variety of molecular details with a Stochastic Gradient Boosting of Decision Trees (SGB-DT) algorithm. The accuracy of our predictions surpasses existing methods by a considerable margin, achieving correlation coefficients of 0.77 for stability, and 0.75 for affinity predictions. Notably, we integrated homology modeling to enable proteome-wide prediction and show that accurate prediction on modeled structures is possible. Lastly, ELASPIC showed significant differences between various types of disease-associated mutations, as well as between disease and common neutral mutations. Unlike pure sequence-based prediction methods that try to predict phenotypic effects of mutations, our predictions unravel the molecular details governing the protein instability, and help us better understand the molecular causes of diseases. PMID:25243403

Effect of a Perturbation on the Chemical Equilibrium: Comparison with Le Châtelier's Principle

NASA Astrophysics Data System (ADS)

Martínez Torres, Emilio

2007-03-01

This article develops a general thermodynamic treatment to predict the direction of shift in a chemical equilibrium when it is subjected to a stress. This treatment gives an inequality that relates the change in the perturbed variable and the change that the equilibrium shift produces in the conjugated variable. To illustrate the generality of this approach, it has been applied to predict the direction of shift caused by changes of pressure, volume, and amount of substance. In this last case, the well-known unexpected shift in the ammonia synthesis equilibrium upon addition of nitrogen is easily explained. From the above referred inequality and the stability criteria of thermodynamics some conclusions have been obtained about the direction of shift in terms of extensive and extensive variables. This article is suitable for physical chemistry courses.

Using transonic small disturbance theory for predicting the aeroelastic stability of a flexible wind-tunnel model

NASA Technical Reports Server (NTRS)

Silva, Walter A.; Bennett, Robert M.

1990-01-01

The CAP-TSD (Computational Aeroelasticity Program - Transonic Small Disturbance) code, developed at the NASA - Langley Research Center, is applied to the Active Flexible Wing (AFW) wind tunnel model for prediction of the model's transonic aeroelastic behavior. Static aeroelastic solutions using CAP-TSD are computed. Dynamic (flutter) analyses are then performed as perturbations about the static aeroelastic deformations of the AFW. The accuracy of the static aeroelastic procedure is investigated by comparing analytical results to those from previous AFW wind tunnel experiments. Dynamic results are presented in the form of root loci at different Mach numbers for a heavy gas and air. The resultant flutter boundaries for both gases are also presented. The effects of viscous damping and angle-of-attack, on the flutter boundary in air, are presented as well.

Predicting the thermodynamic stability of double-perovskite halides from density functional theory

DOE PAGES

Han, Dan; Zhang, Tao; Huang, Menglin; ...

2018-05-24

Recently, a series of double-perovskite halide compounds such as Cs 2AgBiCl 6 and Cs 2AgBiBr 6 have attracted intensive interest as promising alternatives to the solar absorber material CH 3NH 3PbI 3 because they are Pb-free and may exhibit enhanced stability. The thermodynamic stability of a number of double-perovskite halides has been predicted based on density functional theory (DFT) calculations of compound formation energies. In this paper, we found that the stability prediction can be dependent on the approximations used for the exchange-correlation functionals, e.g., the DFT calculations using the widely used Perdew, Burke, Ernzerhof (PBE) functional predict that Csmore » 2AgBiBr 6 is thermodynamically unstable against phase-separation into the competing phases such as AgBr, Cs 2AgBr 3, Cs 3Bi 2Br 9, etc., obviously inconsistent with the good stability observed experimentally. The incorrect prediction by the PBE calculation results from its failure to predict the correct ground-state structures of AgBr, AgCl, and CsCl. By contrast, the DFT calculations based on local density approximation, optB86b-vdW, and optB88-vdW functionals predict the ground-state structures of these binary halides correctly. Furthermore, the optB88-vdW functional is found to give the most accurate description of the lattice constants of the double-perovskite halides and their competing phases. Given these two aspects, we suggest that the optB88-vdW functional should be used for predicting thermodynamic stability in the future high-throughput computational material design or the construction of the Materials Genome database for new double-perovskite halides. As a result, using different exchange-correlation functionals has little influence on the dispersion of the conduction and the valence bands near the electronic bandgap; however, the calculated bandgap can be affected indirectly by the optimized lattice constant, which varies for different functionals.« less

Predicting the thermodynamic stability of double-perovskite halides from density functional theory

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

Han, Dan; Zhang, Tao; Huang, Menglin

Recently, a series of double-perovskite halide compounds such as Cs 2AgBiCl 6 and Cs 2AgBiBr 6 have attracted intensive interest as promising alternatives to the solar absorber material CH 3NH 3PbI 3 because they are Pb-free and may exhibit enhanced stability. The thermodynamic stability of a number of double-perovskite halides has been predicted based on density functional theory (DFT) calculations of compound formation energies. In this paper, we found that the stability prediction can be dependent on the approximations used for the exchange-correlation functionals, e.g., the DFT calculations using the widely used Perdew, Burke, Ernzerhof (PBE) functional predict that Csmore » 2AgBiBr 6 is thermodynamically unstable against phase-separation into the competing phases such as AgBr, Cs 2AgBr 3, Cs 3Bi 2Br 9, etc., obviously inconsistent with the good stability observed experimentally. The incorrect prediction by the PBE calculation results from its failure to predict the correct ground-state structures of AgBr, AgCl, and CsCl. By contrast, the DFT calculations based on local density approximation, optB86b-vdW, and optB88-vdW functionals predict the ground-state structures of these binary halides correctly. Furthermore, the optB88-vdW functional is found to give the most accurate description of the lattice constants of the double-perovskite halides and their competing phases. Given these two aspects, we suggest that the optB88-vdW functional should be used for predicting thermodynamic stability in the future high-throughput computational material design or the construction of the Materials Genome database for new double-perovskite halides. As a result, using different exchange-correlation functionals has little influence on the dispersion of the conduction and the valence bands near the electronic bandgap; however, the calculated bandgap can be affected indirectly by the optimized lattice constant, which varies for different functionals.« less

Quasi-laminar stability and sensitivity analyses for turbulent flows: Prediction of low-frequency unsteadiness and passive control

NASA Astrophysics Data System (ADS)

Mettot, Clément; Sipp, Denis; Bézard, Hervé

2014-04-01

This article presents a quasi-laminar stability approach to identify in high-Reynolds number flows the dominant low-frequencies and to design passive control means to shift these frequencies. The approach is based on a global linear stability analysis of mean-flows, which correspond to the time-average of the unsteady flows. Contrary to the previous work by Meliga et al. ["Sensitivity of 2-D turbulent flow past a D-shaped cylinder using global stability," Phys. Fluids 24, 061701 (2012)], we use the linearized Navier-Stokes equations based solely on the molecular viscosity (leaving aside any turbulence model and any eddy viscosity) to extract the least stable direct and adjoint global modes of the flow. Then, we compute the frequency sensitivity maps of these modes, so as to predict before hand where a small control cylinder optimally shifts the frequency of the flow. In the case of the D-shaped cylinder studied by Parezanović and Cadot [J. Fluid Mech. 693, 115 (2012)], we show that the present approach well captures the frequency of the flow and recovers accurately the frequency control maps obtained experimentally. The results are close to those already obtained by Meliga et al., who used a more complex approach in which turbulence models played a central role. The present approach is simpler and may be applied to a broader range of flows since it is tractable as soon as mean-flows — which can be obtained either numerically from simulations (Direct Numerical Simulation (DNS), Large Eddy Simulation (LES), unsteady Reynolds-Averaged-Navier-Stokes (RANS), steady RANS) or from experimental measurements (Particle Image Velocimetry - PIV) — are available. We also discuss how the influence of the control cylinder on the mean-flow may be more accurately predicted by determining an eddy-viscosity from numerical simulations or experimental measurements. From a technical point of view, we finally show how an existing compressible numerical simulation code may be used in a black-box manner to extract the global modes and sensitivity maps.

A Multicriteria Approach to Find Predictive and Sparse Models with Stable Feature Selection for High-Dimensional Data.

PubMed

Bommert, Andrea; Rahnenführer, Jörg; Lang, Michel

2017-01-01

Finding a good predictive model for a high-dimensional data set can be challenging. For genetic data, it is not only important to find a model with high predictive accuracy, but it is also important that this model uses only few features and that the selection of these features is stable. This is because, in bioinformatics, the models are used not only for prediction but also for drawing biological conclusions which makes the interpretability and reliability of the model crucial. We suggest using three target criteria when fitting a predictive model to a high-dimensional data set: the classification accuracy, the stability of the feature selection, and the number of chosen features. As it is unclear which measure is best for evaluating the stability, we first compare a variety of stability measures. We conclude that the Pearson correlation has the best theoretical and empirical properties. Also, we find that for the stability assessment behaviour it is most important that a measure contains a correction for chance or large numbers of chosen features. Then, we analyse Pareto fronts and conclude that it is possible to find models with a stable selection of few features without losing much predictive accuracy.

Thermal induced flow oscillations in heat exchangers for supercritical fluids

NASA Technical Reports Server (NTRS)

Friedly, J. C.; Manganaro, J. L.; Krueger, P. G.

1972-01-01

Analytical model has been developed to predict possible unstable behavior in supercritical heat exchangers. From complete model, greatly simplified stability criterion is derived. As result of this criterion, stability of heat exchanger system can be predicted in advance.

Theoretical Advances in Sequential Data Assimilation for the Atmosphere and Oceans

NASA Astrophysics Data System (ADS)

Ghil, M.

2007-05-01

We concentrate here on two aspects of advanced Kalman--filter-related methods: (i) the stability of the forecast- assimilation cycle, and (ii) parameter estimation for the coupled ocean-atmosphere system. The nonlinear stability of a prediction-assimilation system guarantees the uniqueness of the sequentially estimated solutions in the presence of partial and inaccurate observations, distributed in space and time; this stability is shown to be a necessary condition for the convergence of the state estimates to the true evolution of the turbulent flow. The stability properties of the governing nonlinear equations and of several data assimilation systems are studied by computing the spectrum of the associated Lyapunov exponents. These ideas are applied to a simple and an intermediate model of atmospheric variability and we show that the degree of stabilization depends on the type and distribution of the observations, as well as on the data assimilation method. These results represent joint work with A. Carrassi, A. Trevisan and F. Uboldi. Much is known by now about the main physical mechanisms that give rise to and modulate the El-Nino/Southern- Oscillation (ENSO), but the values of several parameters that enter these mechanisms are an important unknown. We apply Extended Kalman Filtering (EKF) for both model state and parameter estimation in an intermediate, nonlinear, coupled ocean-atmosphere model of ENSO. Model behavior is very sensitive to two key parameters: (a) "mu", the ocean-atmosphere coupling coefficient between the sea-surface temperature (SST) and wind stress anomalies; and (b) "delta-s", the surface-layer coefficient. Previous work has shown that "delta- s" determines the period of the model's self-sustained oscillation, while "mu' measures the degree of nonlinearity. Depending on the values of these parameters, the spatio-temporal pattern of model solutions is either that of a delayed oscillator or of a westward propagating mode. Assimilation of SST data from the NCEP- NCAR Reanalysis-2 shows that the parameters can vary on fairly short time scales and switch between values that approximate the two distinct modes of ENSO behavior. Rapid adjustments of these parameters occur, in particular, during strong ENSO events. Ways to apply EKF parameter estimation efficiently to state-of-the-art coupled ocean-atmosphere GCMs will be discussed. These results arise from joint work with D. Kondrashov and C.-j. Sun.

Microsegregation during directional solidification

NASA Technical Reports Server (NTRS)

Coriell, S. R.; Mcfadden, G. B.

1984-01-01

During the directional solidification of alloys, solute inhomogeneities transverse to the growth direction arise due to morphological instabilities (leading to cellular or dendritic growth) and/or due to convection in the melt. In the absence of convection, the conditions for the onset of morphological instability are given by the linear stability analysis of Mullins and Sekerka. For ordinary solidification rates, the predictions of linear stability analysis are similar to the constitutional supercooling criterion. However, at very rapid solidification rates, linear stability analysis predicts a vast increase in stabilization in comparison to constitutional supercooling.

Time Prediction Models for Echinococcosis Based on Gray System Theory and Epidemic Dynamics.

PubMed

Zhang, Liping; Wang, Li; Zheng, Yanling; Wang, Kai; Zhang, Xueliang; Zheng, Yujian

2017-03-04

Echinococcosis, which can seriously harm human health and animal husbandry production, has become an endemic in the Xinjiang Uygur Autonomous Region of China. In order to explore an effective human Echinococcosis forecasting model in Xinjiang, three grey models, namely, the traditional grey GM(1,1) model, the Grey-Periodic Extensional Combinatorial Model (PECGM(1,1)), and the Modified Grey Model using Fourier Series (FGM(1,1)), in addition to a multiplicative seasonal ARIMA(1,0,1)(1,1,0)₄ model, are applied in this study for short-term predictions. The accuracy of the different grey models is also investigated. The simulation results show that the FGM(1,1) model has a higher performance ability, not only for model fitting, but also for forecasting. Furthermore, considering the stability and the modeling precision in the long run, a dynamic epidemic prediction model based on the transmission mechanism of Echinococcosis is also established for long-term predictions. Results demonstrate that the dynamic epidemic prediction model is capable of identifying the future tendency. The number of human Echinococcosis cases will increase steadily over the next 25 years, reaching a peak of about 1250 cases, before eventually witnessing a slow decline, until it finally ends.

Fatigue behavior of a thermally-activated NiTiNb SMA-FRP patch

NASA Astrophysics Data System (ADS)

El-Tahan, M.; Dawood, M.

2016-01-01

This paper presents the details of an experimental study that was conducted to characterize the fatigue behavior of a thermally-activated shape memory alloy (SMA)/carbon fiber reinforced polymer (CFRP) patch that can be used to repair cracked steel members. A total of 14 thermally-activated patches were fabricated and tested to evaluate the stability of the prestress under fatigue loading. The parameters considered in this study are the prestress level in the nickel-titanium-niobium SMA wires and the applied force range. An empirical model to predict the degradation of the prestress is also presented. The results indicate that patches for which the maximum applied loads in a fatigue cycle did not cause debonding of the SMA wires from the CFRP sustained two million loading cycles with less than 20% degradation of the prestress.

Development and Application of Predictive Tools for MHD Stability Limits in Tokamaks

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

Brennan, Dylan; Miller, G. P.

This is a project to develop and apply analytic and computational tools to answer physics questions relevant to the onset of non-ideal magnetohydrodynamic (MHD) instabilities in toroidal magnetic confinement plasmas. The focused goal of the research is to develop predictive tools for these instabilities, including an inner layer solution algorithm, a resistive wall with control coils, and energetic particle effects. The production phase compares studies of instabilities in such systems using analytic techniques, PEST- III and NIMROD. Two important physics puzzles are targeted as guiding thrusts for the analyses. The first is to form an accurate description of the physicsmore » determining whether the resistive wall mode or a tearing mode will appear first as β is increased at low rotation and low error fields in DIII-D. The second is to understand the physical mechanism behind recent NIMROD results indicating strong damping and stabilization from energetic particle effects on linear resistive modes. The work seeks to develop a highly relevant predictive tool for ITER, advance the theoretical description of this physics in general, and analyze these instabilities in experiments such as ASDEX Upgrade, DIII-D, JET, JT-60U and NTSX. The awardee on this grant is the University of Tulsa. The research efforts are supervised principally by Dr. Brennan. Support is included for two graduate students, and a strong collaboration with Dr. John M. Finn of LANL. The work includes several ongoing collaborations with General Atomics, PPPL, and the NIMROD team, among others.« less

Predicting drug hydrolysis based on moisture uptake in various packaging designs.

PubMed

Naversnik, Klemen; Bohanec, Simona

2008-12-18

An attempt was made to predict the stability of a moisture sensitive drug product based on the knowledge of the dependence of the degradation rate on tablet moisture. The moisture increase inside a HDPE bottle with the drug formulation was simulated with the sorption-desorption moisture transfer model, which, in turn, allowed an accurate prediction of the drug degradation kinetics. The stability prediction, obtained by computer simulation, was made in a considerably shorter time frame and required little resources compared to a conventional stability study. The prediction was finally upgraded to a stochastic Monte Carlo simulation, which allowed quantitative incorporation of uncertainty, stemming from various sources. The resulting distribution of the outcome of interest (amount of degradation product at expiry) is a comprehensive way of communicating the result along with its uncertainty, superior to single-value results or confidence intervals.

A fresh look at electron cyclotron current drive power requirements for stabilization of tearing modes in ITER

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

La Haye, R. J., E-mail: lahaye@fusion.gat.com

2015-12-10

ITER is an international project to design and build an experimental fusion reactor based on the “tokamak” concept. ITER relies upon localized electron cyclotron current drive (ECCD) at the rational safety factor q=2 to suppress or stabilize the expected poloidal mode m=2, toroidal mode n=1 neoclassical tearing mode (NTM) islands. Such islands if unmitigated degrade energy confinement, lock to the resistive wall (stop rotating), cause loss of “H-mode” and induce disruption. The International Tokamak Physics Activity (ITPA) on MHD, Disruptions and Magnetic Control joint experiment group MDC-8 on Current Drive Prevention/Stabilization of Neoclassical Tearing Modes started in 2005, after whichmore » assessments were made for the requirements for ECCD needed in ITER, particularly that of rf power and alignment on q=2 [1]. Narrow well-aligned rf current parallel to and of order of one percent of the total plasma current is needed to replace the “missing” current in the island O-points and heal or preempt (avoid destabilization by applying ECCD on q=2 in absence of the mode) the island [2-4]. This paper updates the advances in ECCD stabilization on NTMs learned in DIII-D experiments and modeling during the last 5 to 10 years as applies to stabilization by localized ECCD of tearing modes in ITER. This includes the ECCD (inside the q=1 radius) stabilization of the NTM “seeding” instability known as sawteeth (m/n=1/1) [5]. Recent measurements in DIII-D show that the ITER-similar current profile is classically unstable, curvature stabilization must not be neglected, and the small island width stabilization effect from helical ion polarization currents is stronger than was previously thought [6]. The consequences of updated assumptions in ITER modeling of the minimum well-aligned ECCD power needed are all-in-all favorable (and well-within the ITER 24 gyrotron capability) when all effects are included. However, a “wild card” may be broadening of the localized ECCD by the presence of the island; various theories predict broadening could occur and there is experimental evidence for broadening in DIII-D. Wider than now expected ECCD in ITER would make alignment easier to do but weaken the stabilization and thus require more rf power. In addition to updated modeling for ITER, advances in the ITER-relevant DIII-D ECCD gyrotron launch mirror control system hardware and real-time plasma control system have been made [7] and there are plans for application in DIII-D ITER demonstration discharges.« less

A fresh look at electron cyclotron current drive power requirements for stabilization of tearing modes in ITER

NASA Astrophysics Data System (ADS)

La Haye, R. J.

2015-12-01

ITER is an international project to design and build an experimental fusion reactor based on the "tokamak" concept. ITER relies upon localized electron cyclotron current drive (ECCD) at the rational safety factor q=2 to suppress or stabilize the expected poloidal mode m=2, toroidal mode n=1 neoclassical tearing mode (NTM) islands. Such islands if unmitigated degrade energy confinement, lock to the resistive wall (stop rotating), cause loss of "H-mode" and induce disruption. The International Tokamak Physics Activity (ITPA) on MHD, Disruptions and Magnetic Control joint experiment group MDC-8 on Current Drive Prevention/Stabilization of Neoclassical Tearing Modes started in 2005, after which assessments were made for the requirements for ECCD needed in ITER, particularly that of rf power and alignment on q=2 [1]. Narrow well-aligned rf current parallel to and of order of one percent of the total plasma current is needed to replace the "missing" current in the island O-points and heal or preempt (avoid destabilization by applying ECCD on q=2 in absence of the mode) the island [2-4]. This paper updates the advances in ECCD stabilization on NTMs learned in DIII-D experiments and modeling during the last 5 to 10 years as applies to stabilization by localized ECCD of tearing modes in ITER. This includes the ECCD (inside the q=1 radius) stabilization of the NTM "seeding" instability known as sawteeth (m/n=1/1) [5]. Recent measurements in DIII-D show that the ITER-similar current profile is classically unstable, curvature stabilization must not be neglected, and the small island width stabilization effect from helical ion polarization currents is stronger than was previously thought [6]. The consequences of updated assumptions in ITER modeling of the minimum well-aligned ECCD power needed are all-in-all favorable (and well-within the ITER 24 gyrotron capability) when all effects are included. However, a "wild card" may be broadening of the localized ECCD by the presence of the island; various theories predict broadening could occur and there is experimental evidence for broadening in DIII-D. Wider than now expected ECCD in ITER would make alignment easier to do but weaken the stabilization and thus require more rf power. In addition to updated modeling for ITER, advances in the ITER-relevant DIII-D ECCD gyrotron launch mirror control system hardware and real-time plasma control system have been made [7] and there are plans for application in DIII-D ITER demonstration discharges.

High speed transition prediction

NASA Technical Reports Server (NTRS)

Gasperas, Gediminis

1992-01-01

The main objective of this work period was to develop, acquire and apply state-of-the-art tools for the prediction of transition at high speeds at NASA Ames. Although various stability codes as well as basic state codes were acquired, the development of a new Parabolized Stability Equation (PSE) code was minimal. The time that was initially allocated for development was used on other tasks, in particular for the Leading Edge Suction problem, in acquiring proficiency in various graphics tools, and in applying these tools to evaluate various Navier-Stokes and Euler solutions. The second objective of this work period was to attend the Transition and Turbulence Workshop at NASA Langley in July and August, 1991. A report on the Workshop follows. From July 8, 1991 to August 2, 1991, the author participated in the Transition and Turbulence Workshop at NASA Langley. For purposes of interest here, analysis can be said to consist of solving simplified governing equations by various analytical methods, such as asymptotic methods, or by use of very meager computer resources. From the composition of the various groups at the Workshop, it can be seen that analytical methods are generally more popular in Great Britain than they are in the U.S., possibly due to historical factors and the lack of computer resources. Experimenters at the Workshop were mostly concerned with subsonic flows, and a number of demonstrations were provided, among which were a hot-wire experiment to probe the boundary layer on a rotating disc, a hot-wire rake to map a free shear layer behind a cylinder, and the use of heating strips on a flat plate to control instability waves and consequent transition. A highpoint of the demonstrations was the opportunity to observe the rather noisy 'quiet' supersonic pilot tunnel in operation.

Three-step approach for prediction of limit cycle pressure oscillations in combustion chambers of gas turbines

NASA Astrophysics Data System (ADS)

Iurashev, Dmytro; Campa, Giovanni; Anisimov, Vyacheslav V.; Cosatto, Ezio

2017-11-01

Currently, gas turbine manufacturers frequently face the problem of strong acoustic combustion driven oscillations inside combustion chambers. These combustion instabilities can cause extensive wear and sometimes even catastrophic damages to combustion hardware. This requires prevention of combustion instabilities, which, in turn, requires reliable and fast predictive tools. This work presents a three-step method to find stability margins within which gas turbines can be operated without going into self-excited pressure oscillations. As a first step, a set of unsteady Reynolds-averaged Navier-Stokes simulations with the Flame Speed Closure (FSC) model implemented in the OpenFOAM® environment are performed to obtain the flame describing function of the combustor set-up. The standard FSC model is extended in this work to take into account the combined effect of strain and heat losses on the flame. As a second step, a linear three-time-lag-distributed model for a perfectly premixed swirl-stabilized flame is extended to the nonlinear regime. The factors causing changes in the model parameters when applying high-amplitude velocity perturbations are analysed. As a third step, time-domain simulations employing a low-order network model implemented in Simulink® are performed. In this work, the proposed method is applied to a laboratory test rig. The proposed method permits not only the unsteady frequencies of acoustic oscillations to be computed, but the amplitudes of such oscillations as well. Knowing the amplitudes of unstable pressure oscillations, it is possible to determine how these oscillations are harmful to the combustor equipment. The proposed method has a low cost because it does not require any license for computational fluid dynamics software.

New Tools for Hybrid Systems

DTIC Science & Technology

2007-05-02

stability of a class of discrete event systems ", IEEE Transactions on Automatic Control , vol. 39, no. 2... stability , input/output stability , external stability and incremental input/output stability , as they apply to deterministic finite state machine systems ... class of systems , incremental 1/0 stability and external stability are equivalent notions, stronger than the notion of I/O stability . 15. SUBJECT

NetMHCstab – predicting stability of peptide–MHC-I complexes; impacts for cytotoxic T lymphocyte epitope discovery

PubMed Central

Jørgensen, Kasper W; Rasmussen, Michael; Buus, Søren; Nielsen, Morten

2014-01-01

Major histocompatibility complex class I (MHC-I) molecules play an essential role in the cellular immune response, presenting peptides to cytotoxic T lymphocytes (CTLs) allowing the immune system to scrutinize ongoing intracellular production of proteins. In the early 1990s, immunogenicity and stability of the peptide–MHC-I (pMHC-I) complex were shown to be correlated. At that time, measuring stability was cumbersome and time consuming and only small data sets were analysed. Here, we investigate this fairly unexplored area on a large scale compared with earlier studies. A recent small-scale study demonstrated that pMHC-I complex stability was a better correlate of CTL immunogenicity than peptide–MHC-I affinity. We here extended this study and analysed a total of 5509 distinct peptide stability measurements covering 10 different HLA class I molecules. Artificial neural networks were used to construct stability predictors capable of predicting the half-life of the pMHC-I complex. These predictors were shown to predict T-cell epitopes and MHC ligands from SYFPEITHI and IEDB to form significantly more stable MHC-I complexes compared with affinity-matched non-epitopes. Combining the stability predictions with a state-of-the-art affinity predictions NetMHCcons significantly improved the performance for identification of T-cell epitopes and ligands. For the HLA alleles included in the study, we could identify distinct sub-motifs that differentiate between stable and unstable peptide binders and demonstrate that anchor positions in the N-terminal of the binding motif (primarily P2 and P3) play a critical role for the formation of stable pMHC-I complexes. A webserver implementing the method is available at http://www.cbs.dtu.dk/services/NetMHCstab. PMID:23927693

Stability of DIII-D high-performance, negative central shear discharges

NASA Astrophysics Data System (ADS)

Hanson, J. M.; Berkery, J. W.; Bialek, J.; Clement, M.; Ferron, J. R.; Garofalo, A. M.; Holcomb, C. T.; La Haye, R. J.; Lanctot, M. J.; Luce, T. C.; Navratil, G. A.; Olofsson, K. E. J.; Strait, E. J.; Turco, F.; Turnbull, A. D.

2017-05-01

Tokamak plasma experiments on the DIII-D device (Luxon et al 2005 Fusion Sci. Tech. 48 807) demonstrate high-performance, negative central shear (NCS) equilibria with enhanced stability when the minimum safety factor {{q}\\text{min}} exceeds 2, qualitatively confirming theoretical predictions of favorable stability in the NCS regime. The discharges exhibit good confinement with an L-mode enhancement factor H 89  =  2.5, and are ultimately limited by the ideal-wall external kink stability boundary as predicted by ideal MHD theory, as long as tearing mode (TM) locking events, resistive wall modes (RWMs), and internal kink modes are properly avoided or controlled. Although the discharges exhibit rotating TMs, locking events are avoided as long as a threshold minimum safety factor value {{q}\\text{min}}>2 is maintained. Fast timescale magnetic feedback control ameliorates RWM activity, expanding the stable operating space and allowing access to {β\\text{N}} values approaching the ideal-wall limit. Quickly growing and rotating instabilities consistent with internal kink mode dynamics are encountered when the ideal-wall limit is reached. The RWM events largely occur between the no- and ideal-wall pressure limits predicted by ideal MHD. However, evaluating kinetic contributions to the RWM dispersion relation results in a prediction of passive stability in this regime due to high plasma rotation. In addition, the ideal MHD stability analysis predicts that the ideal-wall limit can be further increased to {β\\text{N}}>4 by broadening the current profile. This path toward improved stability has the potential advantage of being compatible with the bootstrap-dominated equilibria envisioned for advanced tokamak (AT) fusion reactors.

Neural correlates of sensory prediction errors in monkeys: evidence for internal models of voluntary self-motion in the cerebellum.

PubMed

Cullen, Kathleen E; Brooks, Jessica X

2015-02-01

During self-motion, the vestibular system makes essential contributions to postural stability and self-motion perception. To ensure accurate perception and motor control, it is critical to distinguish between vestibular sensory inputs that are the result of externally applied motion (exafference) and that are the result of our own actions (reafference). Indeed, although the vestibular sensors encode vestibular afference and reafference with equal fidelity, neurons at the first central stage of sensory processing selectively encode vestibular exafference. The mechanism underlying this reafferent suppression compares the brain's motor-based expectation of sensory feedback with the actual sensory consequences of voluntary self-motion, effectively computing the sensory prediction error (i.e., exafference). It is generally thought that sensory prediction errors are computed in the cerebellum, yet it has been challenging to explicitly demonstrate this. We have recently addressed this question and found that deep cerebellar nuclei neurons explicitly encode sensory prediction errors during self-motion. Importantly, in everyday life, sensory prediction errors occur in response to changes in the effector or world (muscle strength, load, etc.), as well as in response to externally applied sensory stimulation. Accordingly, we hypothesize that altering the relationship between motor commands and the actual movement parameters will result in the updating in the cerebellum-based computation of exafference. If our hypothesis is correct, under these conditions, neuronal responses should initially be increased--consistent with a sudden increase in the sensory prediction error. Then, over time, as the internal model is updated, response modulation should decrease in parallel with a reduction in sensory prediction error, until vestibular reafference is again suppressed. The finding that the internal model predicting the sensory consequences of motor commands adapts for new relationships would have important implications for understanding how responses to passive stimulation endure despite the cerebellum's ability to learn new relationships between motor commands and sensory feedback.

Receptivity of a precessing vortex core to open-loop forcing in a swirling jet and its predictability by linear stability adjoint theory

NASA Astrophysics Data System (ADS)

Müller, Jens; Lückoff, Finn; Oberleithner, Kilian

2017-11-01

The precessing vortex core (PVC) is a dominant coherent structure which occurs in swirling jets such as in swirl-stabilised gas turbine combustors. It stems from a global hydrodynamic instability caused by an internal feedback mechanism within the jet core. In this work, open-loop forcing is applied to a generic non-reacting swirling jet to investigate its receptivity to external actuation regarding lock-in behaviour of the PVC for different streamwise positions and Reynolds numbers. The forcing is periodically exerted by zero net mass flux synthetic jets which are introduced radially through slits inside the duct walls upstream of the swirling jet's exit plane. Time-resolved pressure measurements are conducted to identify the PVC frequency and stereo PIV combined with proper orthogonal decomposition in the duct and free field is used to extract the mean flow and the PVC mode. The data is used in a global linear stability framework to gain the adjoint of the PVC which reveals the regions of highest receptivity to periodic forcing based on mean flow input only. This theoretical receptivity model is compared with the experimentally obtained receptivity results and the validity and applicability of the adjoint model for the prediction of optimal forcing positions is discussed.

A Monte-Carlo game theoretic approach for Multi-Criteria Decision Making under uncertainty

NASA Astrophysics Data System (ADS)

Madani, Kaveh; Lund, Jay R.

2011-05-01

Game theory provides a useful framework for studying Multi-Criteria Decision Making problems. This paper suggests modeling Multi-Criteria Decision Making problems as strategic games and solving them using non-cooperative game theory concepts. The suggested method can be used to prescribe non-dominated solutions and also can be used as a method to predict the outcome of a decision making problem. Non-cooperative stability definitions for solving the games allow consideration of non-cooperative behaviors, often neglected by other methods which assume perfect cooperation among decision makers. To deal with the uncertainty in input variables a Monte-Carlo Game Theory (MCGT) approach is suggested which maps the stochastic problem into many deterministic strategic games. The games are solved using non-cooperative stability definitions and the results include possible effects of uncertainty in input variables on outcomes. The method can handle multi-criteria multi-decision-maker problems with uncertainty. The suggested method does not require criteria weighting, developing a compound decision objective, and accurate quantitative (cardinal) information as it simplifies the decision analysis by solving problems based on qualitative (ordinal) information, reducing the computational burden substantially. The MCGT method is applied to analyze California's Sacramento-San Joaquin Delta problem. The suggested method provides insights, identifies non-dominated alternatives, and predicts likely decision outcomes.

Generating highly accurate prediction hypotheses through collaborative ensemble learning

NASA Astrophysics Data System (ADS)

Arsov, Nino; Pavlovski, Martin; Basnarkov, Lasko; Kocarev, Ljupco

2017-03-01

Ensemble generation is a natural and convenient way of achieving better generalization performance of learning algorithms by gathering their predictive capabilities. Here, we nurture the idea of ensemble-based learning by combining bagging and boosting for the purpose of binary classification. Since the former improves stability through variance reduction, while the latter ameliorates overfitting, the outcome of a multi-model that combines both strives toward a comprehensive net-balancing of the bias-variance trade-off. To further improve this, we alter the bagged-boosting scheme by introducing collaboration between the multi-model’s constituent learners at various levels. This novel stability-guided classification scheme is delivered in two flavours: during or after the boosting process. Applied among a crowd of Gentle Boost ensembles, the ability of the two suggested algorithms to generalize is inspected by comparing them against Subbagging and Gentle Boost on various real-world datasets. In both cases, our models obtained a 40% generalization error decrease. But their true ability to capture details in data was revealed through their application for protein detection in texture analysis of gel electrophoresis images. They achieve improved performance of approximately 0.9773 AUROC when compared to the AUROC of 0.9574 obtained by an SVM based on recursive feature elimination.

Potential of pressure solution for strain localization in the Baccu Locci Shear Zone (Sardinia, Italy)

NASA Astrophysics Data System (ADS)

Casini, Leonardo; Funedda, Antonio

2014-09-01

The mylonites of the Baccu Locci Shear Zone (BLSZ), Sardinia (Italy), were deformed during thrusting along a bottom-to-top strain gradient in lower greenschist facies. The microstructure of metavolcanic protoliths shows evidence for composite deformation accommodated by dislocation creep within strong quartz porphyroclasts, and pressure solution in the finer grained matrix. The evolution of mylonite is simulated in two sets of numerical experiments, assuming either a constant width of the deforming zone (model 1) or a narrowing shear zone (model 2). A 2-5 mm y-1 constant-external-velocity boundary condition is applied on the basis of geologic constraints. Inputs to the models are provided by inverting paleostress values obtained from quartz recrystallized grain-size paleopiezometry. Both models predict a significant stress drop across the shear zone. However, model 1 involves a dramatic decrease in strain rate towards the zone of apparent strain localization. In contrast, model 2 predicts an increase in strain rate with time (from 10-14 to 10-12 s-1), which is consistent with stabilization of the shear zone profile and localization of deformation near the hanging wall. Extrapolating these results to the general context of crust strength suggests that pressure-solution creep may be a critical process for strain softening and for the stabilization of deformation within shear zones.

Evaluation of crystallization behavior on the surface of nifedipine solid dispersion powder using inverse gas chromatography.

PubMed

Miyanishi, Hideo; Nemoto, Takayuki; Mizuno, Masayasu; Mimura, Hisashi; Kitamura, Satoshi; Iwao, Yasunori; Noguchi, Shuji; Itai, Shigeru

2013-02-01

To investigate crystallization behavior on the surface of amorphous solid dispersion powder using inverse gas chromatography (IGC) and to predict the physical stability at temperatures below the glass transition temperature (T (g)). Amorphous solid dispersion powder was prepared by melt-quenching of a mixture of crystalline nifedipine and polyvinylpyrrolidon (PVP) K-30. IGC was conducted by injecting undecane (probe gas) and methane (reference gas) repeatedly to the solid dispersion at temperatures below T (g). Surface crystallization was evaluated by the retention volume change of undecane based on the observation that the surface of the solid dispersion with crystallized nifedipine gives an increased retention volume. On applying the retention volume change to the Hancock-Sharp equation, surface crystallization was found to follow a two-dimensional growth of nuclei mechanism. Estimation of the crystallization rates at temperatures far below T (g) using the Avrami-Erofeev equation and Arrhenius equation showed that, to maintain its quality for at least three years, the solid dispersion should be stored at -20°C (T (g) - 65°C). IGC can be used to evaluate crystallization behavior on the surface of a solid dispersion powder, and, unlike traditional techniques, can also predict the stability of the solid dispersion based on the surface crystallization behavior.

Design and quasi-static characterization of SMASH (SMA stabilizing handgrip)

NASA Astrophysics Data System (ADS)

Pathak, Anupam; Brei, Diann; Luntz, Jonathan; LaVigna, Chris; Kwatny, Harry

2007-04-01

Due to physiologically induced body tremors, there is a need for active stabilization in many hand-held devices such as surgical tools, optical equipment (cameras), manufacturing tools, and small arms weapons. While active stabilization has been achieved with electromagnetic and piezoceramics actuators for cameras and surgical equipment, the hostile environment along with larger loads introduced by manufacturing and battlefield environments make these approaches unsuitable. Shape Memory Alloy (SMA) actuators are capable of alleviating these limitations with their large force/stroke generation, smaller size, lower weight, and increased ruggedness. This paper presents the actuator design and quasi-static characterization of a SMA Stabilizing Handgrip (SMASH). SMASH is an antagonistically SMA actuated two degree-of-freedom stabilizer for disturbances in the elevation and azimuth directions. The design of the SMASH for a given application is challenging because of the difficulty in accurately modeling systems loads such as friction and unknown shakedown SMA material behavior (which is dependent upon the system loads). Thus, an iterative empirical design process is introduced that provides a method to estimate system loads, a SMA shakedown procedure using the system loads to reduce material creep, and a final selection and prediction for the full SMASH system performance. As means to demonstrate this process, a SMASH was designed, built and experimentally characterized for the extreme case study of small arms stabilization for a US Army M16 rifle. This study successfully demonstrated the new SMASH technology along with the unique design procedure that can be applied to small arms along with a variety of other hand-held devices.

Combustion Dynamics and Stability Modeling of a Liquid Oxygen/RP-2 Oxygen-Rich Staged Combustion Preburner and Thrust Chamber Assembly with Gas-Centered Swirl Coaxial Injector Elements

NASA Technical Reports Server (NTRS)

Casiano, M. J.; Kenny, R. J.; Protz, C. S.; Garcia, C. P.; Simpson, S. P.; Elmore, J. L.; Fischbach, S. R.; Giacomoni, C. B.; Hulka, J. R.

2016-01-01

The Combustion Stability Tool Development (CSTD) project, funded by the Air Force Space and Missile Systems Center, began in March 2015 supporting a renewed interest in the development of a liquid oxygen/hydrocarbon, oxygen-rich combustion engine. The project encompasses the design, assembly, and hot-fire testing of the NASA Marshall Space Flight Center 40-klbf Integrated Test Rig (MITR). The test rig models a staged-combustion configuration by combining an oxygen-rich preburner (ORPB), to generate hot gas, with a thrust chamber assembly (TCA) using gas-centered swirl coaxial injector elements. There are five separately designed interchangeable injectors in the TCA that each contain 19- or 27- injector elements. A companion paper in this JANNAF conference describes the design characteristics, rationale, and fabrication issues for all the injectors. The data acquired from a heavily instrumented rig encompasses several injectors, several operating points, and stability bomb tests. Another companion paper in this JANNAF conference describes this test program in detail. In this paper, dynamic data from the hot-fire testing is characterized and used to identify the responses in the ORPB and TCA. A brief review of damping metrics are discussed and applied as a measure of stability margin for damped acoustic modes. Chug and longitudinal combustion stability models and predictions are described which includes new dynamic models for compressible flow through an orifice and a modification to incorporate a third feed line for inclusion of the fuel-film coolant. Flow-acoustics finite element modeling is used to investigate the anticipated TCA acoustics, the effects of injector element length on stability margin, and the potential use of an ORPB orifice trip ring for improving longitudinal stability margin.

Transport and stability analyses supporting disruption prediction in high beta KSTAR plasmas

NASA Astrophysics Data System (ADS)

Ahn, J.-H.; Sabbagh, S. A.; Park, Y. S.; Berkery, J. W.; Jiang, Y.; Riquezes, J.; Lee, H. H.; Terzolo, L.; Scott, S. D.; Wang, Z.; Glasser, A. H.

2017-10-01

KSTAR plasmas have reached high stability parameters in dedicated experiments, with normalized beta βN exceeding 4.3 at relatively low plasma internal inductance li (βN/li>6). Transport and stability analyses have begun on these plasmas to best understand a disruption-free path toward the design target of βN = 5 while aiming to maximize the non-inductive fraction of these plasmas. Initial analysis using the TRANSP code indicates that the non-inductive current fraction in these plasmas has exceeded 50 percent. The advent of KSTAR kinetic equilibrium reconstructions now allows more accurate computation of the MHD stability of these plasmas. Attention is placed on code validation of mode stability using the PEST-3 and resistive DCON codes. Initial evaluation of these analyses for disruption prediction is made using the disruption event characterization and forecasting (DECAF) code. The present global mode kinetic stability model in DECAF developed for low aspect ratio plasmas is evaluated to determine modifications required for successful disruption prediction of KSTAR plasmas. Work supported by U.S. DoE under contract DE-SC0016614.

Test Framing Generates a Stability Bias for Predictions of Learning by Causing People to Discount their Learning Beliefs

PubMed Central

Ariel, Robert; Hines, Jarrod C.; Hertzog, Christopher

2014-01-01

People estimate minimal changes in learning when making predictions of learning (POLs) for future study opportunities despite later showing increased performance and an awareness of that increase (Kornell & Bjork, 2009). This phenomenon is conceptualized as a stability bias in judgments about learning. We investigated the malleability of this effect, and whether it reflected people’s underlying beliefs about learning. We manipulated prediction framing to emphasize the role of testing vs. studying on memory and directly measured beliefs about multi-trial study effects on learning by having participants construct predicted learning curves before and after the experiment. Mean POLs were more sensitive to the number of study-test opportunities when performance was framed in terms of study benefits rather than testing benefits and POLs reflected pre-existing beliefs about learning. The stability bias is partially due to framing and reflects discounted beliefs about learning benefits rather than inherent belief in the stability of performance. PMID:25067885

Test Framing Generates a Stability Bias for Predictions of Learning by Causing People to Discount their Learning Beliefs.

PubMed

Ariel, Robert; Hines, Jarrod C; Hertzog, Christopher

2014-08-01

People estimate minimal changes in learning when making predictions of learning (POLs) for future study opportunities despite later showing increased performance and an awareness of that increase (Kornell & Bjork, 2009). This phenomenon is conceptualized as a stability bias in judgments about learning. We investigated the malleability of this effect, and whether it reflected people's underlying beliefs about learning. We manipulated prediction framing to emphasize the role of testing vs. studying on memory and directly measured beliefs about multi-trial study effects on learning by having participants construct predicted learning curves before and after the experiment. Mean POLs were more sensitive to the number of study-test opportunities when performance was framed in terms of study benefits rather than testing benefits and POLs reflected pre-existing beliefs about learning. The stability bias is partially due to framing and reflects discounted beliefs about learning benefits rather than inherent belief in the stability of performance.

Initial Evaluations of LoC Prediction Algorithms Using the NASA Vertical Motion Simulator

NASA Technical Reports Server (NTRS)

Krishnakumar, Kalmanje; Stepanyan, Vahram; Barlow, Jonathan; Hardy, Gordon; Dorais, Greg; Poolla, Chaitanya; Reardon, Scott; Soloway, Donald

2014-01-01

Flying near the edge of the safe operating envelope is an inherently unsafe proposition. Edge of the envelope here implies that small changes or disturbances in system state or system dynamics can take the system out of the safe envelope in a short time and could result in loss-of-control events. This study evaluated approaches to predicting loss-of-control safety margins as the aircraft gets closer to the edge of the safe operating envelope. The goal of the approach is to provide the pilot aural, visual, and tactile cues focused on maintaining the pilot's control action within predicted loss-of-control boundaries. Our predictive architecture combines quantitative loss-of-control boundaries, an adaptive prediction method to estimate in real-time Markov model parameters and associated stability margins, and a real-time data-based predictive control margins estimation algorithm. The combined architecture is applied to a nonlinear transport class aircraft. Evaluations of various feedback cues using both test and commercial pilots in the NASA Ames Vertical Motion-base Simulator (VMS) were conducted in the summer of 2013. The paper presents results of this evaluation focused on effectiveness of these approaches and the cues in preventing the pilots from entering a loss-of-control event.

Using open source computational tools for predicting human metabolic stability and additional absorption, distribution, metabolism, excretion, and toxicity properties.

PubMed

Gupta, Rishi R; Gifford, Eric M; Liston, Ted; Waller, Chris L; Hohman, Moses; Bunin, Barry A; Ekins, Sean

2010-11-01

Ligand-based computational models could be more readily shared between researchers and organizations if they were generated with open source molecular descriptors [e.g., chemistry development kit (CDK)] and modeling algorithms, because this would negate the requirement for proprietary commercial software. We initially evaluated open source descriptors and model building algorithms using a training set of approximately 50,000 molecules and a test set of approximately 25,000 molecules with human liver microsomal metabolic stability data. A C5.0 decision tree model demonstrated that CDK descriptors together with a set of Smiles Arbitrary Target Specification (SMARTS) keys had good statistics [κ = 0.43, sensitivity = 0.57, specificity = 0.91, and positive predicted value (PPV) = 0.64], equivalent to those of models built with commercial Molecular Operating Environment 2D (MOE2D) and the same set of SMARTS keys (κ = 0.43, sensitivity = 0.58, specificity = 0.91, and PPV = 0.63). Extending the dataset to ∼193,000 molecules and generating a continuous model using Cubist with a combination of CDK and SMARTS keys or MOE2D and SMARTS keys confirmed this observation. When the continuous predictions and actual values were binned to get a categorical score we observed a similar κ statistic (0.42). The same combination of descriptor set and modeling method was applied to passive permeability and P-glycoprotein efflux data with similar model testing statistics. In summary, open source tools demonstrated predictive results comparable to those of commercial software with attendant cost savings. We discuss the advantages and disadvantages of open source descriptors and the opportunity for their use as a tool for organizations to share data precompetitively, avoiding repetition and assisting drug discovery.

Experimental investigation of condensation predictions for dust-enriched systems

NASA Astrophysics Data System (ADS)

Ustunisik, Gokce; Ebel, Denton S.; Walker, David; Boesenberg, Joseph S.

2014-10-01

Condensation models describe the equilibrium distribution of elements between coexisting phases (mineral solid solutions, silicate liquid, and vapor) in a closed chemical system, where the vapor phase is always present, using equations of state of the phases involved at a fixed total pressure (<1 bar) and temperature (T). The VAPORS code uses a CaO-MgO-Al2O3-SiO2 (CMAS) liquid model at T above the stability field of olivine, and the MELTS thermodynamics algorithm at lower T. Quenched high-T crystal + liquid assemblages are preserved in meteorites as Type B Ca-, Al-rich inclusions (CAIs), and olivine-rich ferromagnesian chondrules. Experimental tests of compositional regions within 100 K of the predicted T of olivine stability may clarify the nature of the phases present, the phase boundaries, and the partition of trace elements among these phases. Twenty-three Pt-loop equilibrium experiments in seven phase fields on twelve bulk compositions at specific T and dust enrichment factors tested the predicted stability fields of forsteritic olivine (Mg2SiO4), enstatite (MgSiO3), Cr-bearing spinel (MgAl2O4), perovskite (CaTiO3), melilite (Ca2Al2SiO7-Ca2Mg2Si2O7) and/or grossite (CaAl4O7) crystallizing from liquid. Experimental results for forsterite, enstatite, and grossite are in very good agreement with predictions, both in chemistry and phase abundances. On the other hand the stability of spinel with olivine, and stability of perovskite and gehlenite are quite different from predictions. Perovskite is absent in all experiments. Even at low oxygen fugacity (IW-3.4), the most TiO2-rich experiments do not crystallize Al-, Ti-bearing calcic pyroxene. The stability of spinel and olivine together is limited to a smaller phase field than is predicted. The melilite stability field is much larger than predicted, indicating a deficiency of current liquid or melilite activity models. In that respect, these experiments contribute to improving the data for calibrating thermodynamic models including MELTS.

Advanced stability analysis for laminar flow control

NASA Technical Reports Server (NTRS)

Orszag, S. A.

1981-01-01

Five classes of problems are addressed: (1) the extension of the SALLY stability analysis code to the full eighth order compressible stability equations for three dimensional boundary layer; (2) a comparison of methods for prediction of transition using SALLY for incompressible flows; (3) a study of instability and transition in rotating disk flows in which the effects of Coriolis forces and streamline curvature are included; (4) a new linear three dimensional instability mechanism that predicts Reynolds numbers for transition to turbulence in planar shear flows in good agreement with experiment; and (5) a study of the stability of finite amplitude disturbances in axisymmetric pipe flow showing the stability of this flow to all nonlinear axisymmetric disturbances.

Mali and Islamic Extremism: Applying Lessons Learned from Afghanistan

DTIC Science & Technology

2016-11-21

Stability operations use the pop- ulation as the center of gravity.40 U.S. military doctrine directs us to review political, military, economic ...military success or lasting stability . This article addresses the similar contexts between the two countries and how lessons from Afghanistan can be...applied to Mali to improve chances for lasting stability . Keywords: Africa, Mali, Azawad, asymmetric warfare, belligerent forces, jihad, Islamic

Flight Stability and Control and Performance Results from the Linear Aerospike SR-71 Experiment (LASRE)

NASA Technical Reports Server (NTRS)

Moes, Timothy R.; Cobleigh, Brent R.; Cox, Timothy H.; Conners, Timothy R.; Iliff, Kenneth W.; Powers, Bruce G.

1998-01-01

The Linear Aerospike SR-71 Experiment (LASRE) is presently being conducted to test a 20-percent-scale version of the Linear Aerospike rocket engine. This rocket engine has been chosen to power the X-33 Single Stage to Orbit Technology Demonstrator Vehicle. The rocket engine was integrated into a lifting body configuration and mounted to the upper surface of an SR-71 aircraft. This paper presents stability and control results and performance results from the envelope expansion flight tests of the LASRE configuration up to Mach 1.8 and compares the results with wind tunnel predictions. Longitudinal stability and elevator control effectiveness were well-predicted from wind tunnel tests. Zero-lift pitching moment was mispredicted transonically. Directional stability, dihedral stability, and rudder effectiveness were overpredicted. The SR-71 handling qualities were never significantly impacted as a result of the missed predictions. Performance results confirmed the large amount of wind-tunnel-predicted transonic drag for the LASRE configuration. This drag increase made the performance of the vehicle so poor that acceleration through transonic Mach numbers could not be achieved on a hot day without depleting the available fuel.

[Vis-NIR spectroscopic pattern recognition combined with SG smoothing applied to breed screening of transgenic sugarcane].

PubMed

Liu, Gui-Song; Guo, Hao-Song; Pan, Tao; Wang, Ji-Hua; Cao, Gan

2014-10-01

Based on Savitzky-Golay (SG) smoothing screening, principal component analysis (PCA) combined with separately supervised linear discriminant analysis (LDA) and unsupervised hierarchical clustering analysis (HCA) were used for non-destructive visible and near-infrared (Vis-NIR) detection for breed screening of transgenic sugarcane. A random and stability-dependent framework of calibration, prediction, and validation was proposed. A total of 456 samples of sugarcane leaves planting in the elongating stage were collected from the field, which was composed of 306 transgenic (positive) samples containing Bt and Bar gene and 150 non-transgenic (negative) samples. A total of 156 samples (negative 50 and positive 106) were randomly selected as the validation set; the remaining samples (negative 100 and positive 200, a total of 300 samples) were used as the modeling set, and then the modeling set was subdivided into calibration (negative 50 and positive 100, a total of 150 samples) and prediction sets (negative 50 and positive 100, a total of 150 samples) for 50 times. The number of SG smoothing points was ex- panded, while some modes of higher derivative were removed because of small absolute value, and a total of 264 smoothing modes were used for screening. The pairwise combinations of first three principal components were used, and then the optimal combination of principal components was selected according to the model effect. Based on all divisions of calibration and prediction sets and all SG smoothing modes, the SG-PCA-LDA and SG-PCA-HCA models were established, the model parameters were optimized based on the average prediction effect for all divisions to produce modeling stability. Finally, the model validation was performed by validation set. With SG smoothing, the modeling accuracy and stability of PCA-LDA, PCA-HCA were signif- icantly improved. For the optimal SG-PCA-LDA model, the recognition rate of positive and negative validation samples were 94.3%, 96.0%; and were 92.5%, 98.0% for the optimal SG-PCA-LDA model, respectively. Vis-NIR spectro- scopic pattern recognition combined with SG smoothing could be used for accurate recognition of transgenic sugarcane leaves, and provided a convenient screening method for transgenic sugarcane breeding.

Bent-core fiber structure: Experimental and theoretical studies of fiber stability

NASA Astrophysics Data System (ADS)

Bailey, C.; Gartland, E.; Jakli, A.

2007-03-01

Recent studies have shown that bent core liquid crystals in the B7 and B2 phases can form stable freestanding fibers with a so called ``jelly-roll'' layer configuration, which means that the smectic layers would be arranged in concentric cylindrical shells. This configuration shows layer curvature is necessary for fiber stability. Classically this effect would destabilize the fiber configuration because of the energy cost of layer distortions and surface tension. We propose a model that can predict fiber stability in the experimentally observed range of a few micrometers, by assuming that layer curvature can be stabilized by including a term dealing with the linear divergence of the polarization direction if the polarization is allowed to have a component normal to the smectic layers. We show that this term can stabilize the fiber configuration if its strength is larger than the surface tension. We also propose an entropic model to explain the strength of this term by considering steric effects. Finally we will take results from this model and apply them to better understand experimental findings of bent-core fibers. Financial support by NSF FRG under contract DMS-0456221. Prof. Daniel Phillips, Particia Bauman and Jie Shen at Purdue Univ., Prof. Maria Carme Calderer at Univ. of Minnesota, and Prof. Jonathan Selinger at Kent State Univ. Liou Qiu and Dr. O.D. Lavrentovich, Characterization Facilities, Liquid Crystal Institute, Kent State Univ. Julie Kim and Dr. Quan Li, Chemical Synthesis Facilities, Liquid Crystal Institute, Kent State Univ.

Structural analysis of thermostabilizing mutations of cocaine esterase

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

Narasimhan, Diwahar; Nance, Mark R.; Gao, Daquan

Cocaine is considered to be the most addictive of all substances of abuse and mediates its effects by inhibiting monoamine transporters, primarily the dopamine transporters. There are currently no small molecules that can be used to combat its toxic and addictive properties, in part because of the difficulty of developing compounds that inhibit cocaine binding without having intrinsic effects on dopamine transport. Most of the effective cocaine inhibitors also display addictive properties. We have recently reported the use of cocaine esterase (CocE) to accelerate the removal of systemic cocaine and to prevent cocaine-induced lethality. However, wild-type CocE is relatively unstablemore » at physiological temperatures ({tau}{sub 1/2} {approx} 13 min at 37 C), presenting challenges for its development as a viable therapeutic agent. We applied computational approaches to predict mutations to stabilize CocE and showed that several of these have increased stability both in vitro and in vivo, with the most efficacious mutant (T172R/G173Q) extending half-life up to 370 min. Here we present novel X-ray crystallographic data on these mutants that provide a plausible model for the observed enhanced stability. We also more extensively characterize the previously reported variants and report on a new stabilizing mutant, L169K. The improved stability of these engineered CocE enzymes will have a profound influence on the use of this protein to combat cocaine-induced toxicity and addiction in humans.« less

Effect of stabilization annealing on SCC susceptibility of β-annealed Ti-6Al-4V alloy in 0.6 M NaCl solution

NASA Astrophysics Data System (ADS)

Jeong, Daeho; Park, Jiho; Ahn, Soojin; Sung, Hyokyung; Kwon, Yongnam; Kim, Sangshik

2018-01-01

The effect of stabilization annealing on the stress corrosion cracking (SCC) susceptibility of β-annealed Ti-6Al-4V (Ti64) alloy was examined in an aqueous 0.6 M NaCl solution under various applied potentials of +0.1, -0.05 and -0.1 V vs Ecorr, respectively, at a strain rate of 10 -6 s -1. The stabilization annealing substantially improved the resistance to SCC of β-annealed Ti64 alloy in 0.6 M NaCl solution under cathodic applied potentials, while the effect was marginal under an anodic applied potential. It was also noted that the areal fraction between ductile and brittle fracture of β-annealed Ti64 specimens, which were slow strain rate tested in 0.6 M NaCl solution, varied with stabilization annealing and applied potentials. The effect of stabilization annealing on the SCC behavior of β-annealed Ti64 alloy in SCC-causing environment was discussed based on the micrographic and fractographic observation.

A novel integrated framework and improved methodology of computer-aided drug design.

PubMed

Chen, Calvin Yu-Chian

2013-01-01

Computer-aided drug design (CADD) is a critical initiating step of drug development, but a single model capable of covering all designing aspects remains to be elucidated. Hence, we developed a drug design modeling framework that integrates multiple approaches, including machine learning based quantitative structure-activity relationship (QSAR) analysis, 3D-QSAR, Bayesian network, pharmacophore modeling, and structure-based docking algorithm. Restrictions for each model were defined for improved individual and overall accuracy. An integration method was applied to join the results from each model to minimize bias and errors. In addition, the integrated model adopts both static and dynamic analysis to validate the intermolecular stabilities of the receptor-ligand conformation. The proposed protocol was applied to identifying HER2 inhibitors from traditional Chinese medicine (TCM) as an example for validating our new protocol. Eight potent leads were identified from six TCM sources. A joint validation system comprised of comparative molecular field analysis, comparative molecular similarity indices analysis, and molecular dynamics simulation further characterized the candidates into three potential binding conformations and validated the binding stability of each protein-ligand complex. The ligand pathway was also performed to predict the ligand "in" and "exit" from the binding site. In summary, we propose a novel systematic CADD methodology for the identification, analysis, and characterization of drug-like candidates.

Development of simple-to-apply biogas kinetic models for the co-digestion of food waste and maize husk.

PubMed

Owamah, H I; Izinyon, O C

2015-10-01

Biogas kinetic models are often used to characterize substrate degradation and prediction of biogas production potential. Most of these existing models are however difficult to apply to substrates they were not developed for since their applications are usually substrate specific. Biodegradability kinetic (BIK) model and maximum biogas production potential and stability assessment (MBPPSA) model were therefore developed in this study for better understanding of the anaerobic co-digestion of food waste and maize husk for biogas production. Biodegradability constant (k) was estimated as 0.11 d(-1) using the BIK model. The results of maximum biogas production potential (A) obtained using the MBPPSA model were found to be in good correspondence, both in value and trend with the results obtained using the popular but complex modified Gompertz model for digesters B-1, B-2, B-3, B-4, and B-5. The (If) value of MBPPSA model also showed that digesters B-3, B-4, and B-5 were stable, while B-1 and B-2 were inhibited/unstable. Similar stability observation was also obtained using the modified Gompertz model. The MBPPSA model can therefore be used as an alternative model for anaerobic digestion feasibility studies and plant design. Copyright © 2015 Elsevier Ltd. All rights reserved.

Steady states and linear stability analysis of precipitation pattern formation at geothermal hot springs.

PubMed

Chan, Pak Yuen; Goldenfeld, Nigel

2007-10-01

A dynamical theory of geophysical precipitation pattern formation is presented and applied to irreversible calcium carbonate (travertine) deposition. Specific systems studied here are the terraces and domes observed at geothermal hot springs, such as those at Yellowstone National Park, and speleothems, particularly stalactites and stalagmites. The theory couples the precipitation front dynamics with shallow water flow, including corrections for turbulent drag and curvature effects. In the absence of capillarity and with a laminar flow profile, the theory predicts a one-parameter family of steady state solutions to the moving boundary problem describing the precipitation front. These shapes match the measured shapes near the vent at the top of observed travertine domes well. Closer to the base of the dome, the solutions deviate from observations and circular symmetry is broken by a fluting pattern, which we show is associated with capillary forces causing thin film break-up. We relate our model to that recently proposed for stalactite growth, and calculate the linear stability spectrum of both travertine domes and stalactites. Lastly, we apply the theory to the problem of precipitation pattern formation arising from turbulent flow down an inclined plane and identify a linear instability that underlies scale-invariant travertine terrace formation at geothermal hot springs.

Steady states and linear stability analysis of precipitation pattern formation at geothermal hot springs

NASA Astrophysics Data System (ADS)

Chan, Pak Yuen; Goldenfeld, Nigel

2007-10-01

A dynamical theory of geophysical precipitation pattern formation is presented and applied to irreversible calcium carbonate (travertine) deposition. Specific systems studied here are the terraces and domes observed at geothermal hot springs, such as those at Yellowstone National Park, and speleothems, particularly stalactites and stalagmites. The theory couples the precipitation front dynamics with shallow water flow, including corrections for turbulent drag and curvature effects. In the absence of capillarity and with a laminar flow profile, the theory predicts a one-parameter family of steady state solutions to the moving boundary problem describing the precipitation front. These shapes match the measured shapes near the vent at the top of observed travertine domes well. Closer to the base of the dome, the solutions deviate from observations and circular symmetry is broken by a fluting pattern, which we show is associated with capillary forces causing thin film break-up. We relate our model to that recently proposed for stalactite growth, and calculate the linear stability spectrum of both travertine domes and stalactites. Lastly, we apply the theory to the problem of precipitation pattern formation arising from turbulent flow down an inclined plane and identify a linear instability that underlies scale-invariant travertine terrace formation at geothermal hot springs.

Biomechanical Measures During Landing and Postural Stability Predict Second Anterior Cruciate Ligament Injury After Anterior Cruciate Ligament Reconstruction and Return to Sport

PubMed Central

Paterno, Mark V.; Schmitt, Laura C.; Ford, Kevin R.; Rauh, Mitchell J.; Myer, Gregory D.; Huang, Bin; Hewett, Timothy E.

2016-01-01

Background Athletes who return to sport participation after anterior cruciate ligament reconstruction (ACLR) have a higher risk of a second anterior cruciate ligament injury (either reinjury or contralateral injury) compared with non–anterior cruciate ligament–injured athletes. Hypotheses Prospective measures of neuromuscular control and postural stability after ACLR will predict relative increased risk for a second anterior cruciate ligament injury. Study Design Cohort study (prognosis); Level of evidence, 2. Methods Fifty-six athletes underwent a prospective biomechanical screening after ACLR using 3-dimensional motion analysis during a drop vertical jump maneuver and postural stability assessment before return to pivoting and cutting sports. After the initial test session, each subject was followed for 12 months for occurrence of a second anterior cruciate ligament injury. Lower extremity joint kinematics, kinetics, and postural stability were assessed and analyzed. Analysis of variance and logistic regression were used to identify predictors of a second anterior cruciate ligament injury. Results Thirteen athletes suffered a subsequent second anterior cruciate ligament injury. Transverse plane hip kinetics and frontal plane knee kinematics during landing, sagittal plane knee moments at landing, and deficits in postural stability predicted a second injury in this population (C statistic = 0.94) with excellent sensitivity (0.92) and specificity (0.88). Specific predictive parameters included an increase in total frontal plane (valgus) movement, greater asymmetry in internal knee extensor moment at initial contact, and a deficit in single-leg postural stability of the involved limb, as measured by the Biodex stability system. Hip rotation moment independently predicted second anterior cruciate ligament injury (C = 0.81) with high sensitivity (0.77) and specificity (0.81). Conclusion Altered neuromuscular control of the hip and knee during a dynamic landing task and postural stability deficits after ACLR are predictors of a second anterior cruciate ligament injury after an athlete is released to return to sport. PMID:20702858

Empirical parameterization of a model for predicting peptide helix/coil equilibrium populations.

PubMed Central

Andersen, N. H.; Tong, H.

1997-01-01

A modification of the Lifson-Roig formulation of helix/coil transitions is presented; it (1) incorporates end-capping and coulombic (salt bridges, hydrogen bonding, and side-chain interactions with charged termini and the helix dipole) effects, (2) helix-stabilizing hydrophobic clustering, (3) allows for different inherent termination probabilities of individual residues, and (4) differentiates helix elongation in the first versus subsequent turns of a helix. Each residue is characterized by six parameters governing helix formation. The formulation of the conditional probability of helix initiation and termination that we developed is essentially the same as one presented previously (Shalongo W, Stellwagen, E. 1995. Protein Sci 4:1161-1166) and nearly the mathematical equivalent of the new capping formulation incorporated in the model presented by Rohl et al. (1996. Protein Sci 5:2623-2637). Side-chain/side-chain interactions are, in most cases, incorporated as context dependent modifications of propagation rather than nucleation parameters. An alternative procedure for converting [theta]221 values to experimental fractional helicities () is presented. Tests of the program predictions suggest this method may have some advantages both for designed peptides and for the analysis of secondary structure preferences that could drive the formation of molten-globule intermediates on protein folding pathways. The model predicts the fractional helicity of 385 peptides with a root-mean-square deviation (RMSD) of 0.050 and locates (with precise definition of the termini in many cases) helices in proteins as well as competing methods. The propagation and nucleation parameters were derived from NMR data and from the CD data for a 79 peptide "learning set" for which an excellent fit resulted (RMSD = 0.0295). The current set of parameter corrections for capping boxes, helix dipole interactions, and side-chain/side-chain interactions (coulombic, hydrogen bonding and hydrophobic clustering), although still under development provide a significant improvement in both helix/coil equilibrium prediction for peptides and helix location in protein sequences. This is clearly evident in the rms deviations between CD measures and calculated values of fractional helicity for different classes of peptides before and after applying the corrections: for peptides lacking capping boxes and i/i + 3 and i/i + 4 side-chain/side-chain interactions RMSD = 0.044 (n = 164) versus RMSD = 0.054 (0.172 without the corrections, n = 221) for peptides that required context-dependent corrections of the parameters. If we restrict the analysis to N-acylated peptides with helix stabilizing side-chain/side-chain interactions (including N-capping boxes), the degree to which our corrections account for the stabilizing interaction can be judged from the change in helicity underestimation, (calc-CD): -0.15 +/- 0.10, which is reduced to -0.018 +/- 0.048 (n = 191) upon applying the corrections. PMID:9300492

An Ensemble Successive Project Algorithm for Liquor Detection Using Near Infrared Sensor.

PubMed

Qu, Fangfang; Ren, Dong; Wang, Jihua; Zhang, Zhong; Lu, Na; Meng, Lei

2016-01-11

Spectral analysis technique based on near infrared (NIR) sensor is a powerful tool for complex information processing and high precision recognition, and it has been widely applied to quality analysis and online inspection of agricultural products. This paper proposes a new method to address the instability of small sample sizes in the successive projections algorithm (SPA) as well as the lack of association between selected variables and the analyte. The proposed method is an evaluated bootstrap ensemble SPA method (EBSPA) based on a variable evaluation index (EI) for variable selection, and is applied to the quantitative prediction of alcohol concentrations in liquor using NIR sensor. In the experiment, the proposed EBSPA with three kinds of modeling methods are established to test their performance. In addition, the proposed EBSPA combined with partial least square is compared with other state-of-the-art variable selection methods. The results show that the proposed method can solve the defects of SPA and it has the best generalization performance and stability. Furthermore, the physical meaning of the selected variables from the near infrared sensor data is clear, which can effectively reduce the variables and improve their prediction accuracy.

Implementations of geographically weighted lasso in spatial data with multicollinearity (Case study: Poverty modeling of Java Island)

NASA Astrophysics Data System (ADS)

Setiyorini, Anis; Suprijadi, Jadi; Handoko, Budhi

2017-03-01

Geographically Weighted Regression (GWR) is a regression model that takes into account the spatial heterogeneity effect. In the application of the GWR, inference on regression coefficients is often of interest, as is estimation and prediction of the response variable. Empirical research and studies have demonstrated that local correlation between explanatory variables can lead to estimated regression coefficients in GWR that are strongly correlated, a condition named multicollinearity. It later results on a large standard error on estimated regression coefficients, and, hence, problematic for inference on relationships between variables. Geographically Weighted Lasso (GWL) is a method which capable to deal with spatial heterogeneity and local multicollinearity in spatial data sets. GWL is a further development of GWR method, which adds a LASSO (Least Absolute Shrinkage and Selection Operator) constraint in parameter estimation. In this study, GWL will be applied by using fixed exponential kernel weights matrix to establish a poverty modeling of Java Island, Indonesia. The results of applying the GWL to poverty datasets show that this method stabilizes regression coefficients in the presence of multicollinearity and produces lower prediction and estimation error of the response variable than GWR does.

Thermodynamic database for proteins: features and applications.

PubMed

Gromiha, M Michael; Sarai, Akinori

2010-01-01

We have developed a thermodynamic database for proteins and mutants, ProTherm, which is a collection of a large number of thermodynamic data on protein stability along with the sequence and structure information, experimental methods and conditions, and literature information. This is a valuable resource for understanding/predicting the stability of proteins, and it can be accessible at http://www.gibk26.bse.kyutech.ac.jp/jouhou/Protherm/protherm.html . ProTherm has several features including various search, display, and sorting options and visualization tools. We have analyzed the data in ProTherm to examine the relationship among thermodynamics, structure, and function of proteins. We describe the progress on the development of methods for understanding/predicting protein stability, such as (i) relationship between the stability of protein mutants and amino acid properties, (ii) average assignment method, (iii) empirical energy functions, (iv) torsion, distance, and contact potentials, and (v) machine learning techniques. The list of online resources for predicting protein stability has also been provided.

Designing Liquid Rocket Engine Injectors for Performance, Stability, and Cost

NASA Technical Reports Server (NTRS)

Westra, Douglas G.; West, Jeffrey S.

2014-01-01

NASA is developing the Space Launch System (SLS) for crewed exploration missions beyond low Earth orbit. Marshall Space Flight Center (MSFC) is designing rocket engines for the SLS Advanced Booster (AB) concepts being developed to replace the Shuttle-derived solid rocket boosters. One AB concept uses large, Rocket-Propellant (RP)-fueled engines that pose significant design challenges. The injectors for these engines require high performance and stable operation while still meeting aggressive cost reduction goals for access to space. Historically, combustion stability problems have been a critical issue for such injector designs. Traditional, empirical injector design tools and methodologies, however, lack the ability to reliably predict complex injector dynamics that often lead to combustion stability. Reliance on these tools alone would likely result in an unaffordable test-fail-fix cycle for injector development. Recently at MSFC, a massively parallel computational fluid dynamics (CFD) program was successfully applied in the SLS AB injector design process. High-fidelity reacting flow simulations were conducted for both single-element and seven-element representations of the full-scale injector. Data from the CFD simulations was then used to significantly augment and improve the empirical design tools, resulting in a high-performance, stable injector design.

Rational Development of Neutral Aqueous Electrolytes for Zinc–Air Batteries

PubMed Central

Clark, Simon; Latz, Arnulf

2017-01-01

Abstract Neutral aqueous electrolytes have been shown to extend both the calendar life and cycling stability of secondary zinc–air batteries (ZABs). Despite this promise, there are currently no modeling studies investigating the performance of neutral ZABs. Traditional continuum models are numerically insufficient to simulate the dynamic behavior of these complex systems because of the rapid, orders‐of‐magnitude concentration shifts that occur. In this work, we present a novel framework for modeling the cell‐level performance of pH‐buffered aqueous electrolytes. We apply our model to conduct the first continuum‐scale simulation of secondary ZABs using aqueous ZnCl2–NH4Cl as electrolyte. We first use our model to interpret the results of two recent experimental studies of neutral ZABs, showing that the stability of the pH value is a significant factor in cell performance. We then optimize the composition of the electrolyte and the design of the cell considering factors including pH stability, final discharge product, and overall energy density. Our simulations predict that the effectiveness of the pH buffer is limited by slow mass transport and that chlorine‐containing solids may precipitate in addition to ZnO. PMID:28898553

Final Report: “Energetics of Nanomaterials”

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

Woodfield, Brian F.; navrotsky, alexandra; Ross, Nancy

2016-08-30

Nanomaterials, solids with very small particle size, form the basis of new technologies that are revolutionizing fields such as energy, lighting, electronics, medical diagnostics, and drug delivery. These nanoparticles are different from conventional bulk materials in many ways we do not yet fully understand. This project focused on their structure and thermodynamics and emphasized the role of water in nanoparticle surfaces. Using a unique and synergistic combination of high-tech techniques—namely oxide melt solution calorimetry, cryogenic heat capacity measurements, and inelastic neutron scattering—this work has identified differences in structure, thermodynamic stability, and water behavior on nanoparticles as a function of compositionmore » and particle size. The systematics obtained increase the fundamental understanding needed to synthesize, retain, and apply these technologically important nanomaterials and to predict and tailor new materials for enhanced functionality, eventually leading to a more sustainable way of life. Highlights are reported on the following topics: surface energies, thermochemistry of nanoparticles, and changes in stability at the nanoscale; heat capacity models and the gapped phonon spectrum; control of pore structure, acid sites, and thermal stability in synthetic γ-aluminas; the lattice contribution is the same for bulk and nanomaterials; and inelastic neutron scattering studies of water on nanoparticle surfaces.« less

Final Report: "Energetics of Nanomaterials

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

Navrotsky, Alexandra; Ross, Nancy; Woodfield, Brian

2015-02-14

Nanomaterials, solids with very small particle size, form the basis of new technologies that are revolutionizing fields such as energy, lighting, electronics, medical diagnostics, and drug delivery. These nanoparticles are different from conventional bulk materials in many ways we do not yet fully understand. This project focused on their structure and thermodynamics and emphasized the role of water in nanoparticle surfaces. Using a unique and synergistic combination of high-tech techniques—namely oxide melt solution calorimetry, cryogenic heat capacity measurements, and inelastic neutron scattering—this work has identified differences in structure, thermodynamic stability, and water behavior on nanoparticles as a function of compositionmore » and particle size. The systematics obtained increase the fundamental understanding needed to synthesize, retain, and apply these technologically important nanomaterials and to predict and tailor new materials for enhanced functionality, eventually leading to a more sustainable way of life. Highlights are reported on the following topics: surface energies, thermochemistry of nanoparticles, and changes in stability at the nanoscale; heat capacity models and the gapped phonon spectrum; control of pore structure, acid sites, and thermal stability in synthetic γ-aluminas; the lattice contribution is the same for bulk and nanomaterials; and inelastic neutron scattering studies of water on nanoparticle surfaces.« less

Aeroservoelastic Uncertainty Model Identification from Flight Data

NASA Technical Reports Server (NTRS)

Brenner, Martin J.

2001-01-01

Uncertainty modeling is a critical element in the estimation of robust stability margins for stability boundary prediction and robust flight control system development. There has been a serious deficiency to date in aeroservoelastic data analysis with attention to uncertainty modeling. Uncertainty can be estimated from flight data using both parametric and nonparametric identification techniques. The model validation problem addressed in this paper is to identify aeroservoelastic models with associated uncertainty structures from a limited amount of controlled excitation inputs over an extensive flight envelope. The challenge to this problem is to update analytical models from flight data estimates while also deriving non-conservative uncertainty descriptions consistent with the flight data. Multisine control surface command inputs and control system feedbacks are used as signals in a wavelet-based modal parameter estimation procedure for model updates. Transfer function estimates are incorporated in a robust minimax estimation scheme to get input-output parameters and error bounds consistent with the data and model structure. Uncertainty estimates derived from the data in this manner provide an appropriate and relevant representation for model development and robust stability analysis. This model-plus-uncertainty identification procedure is applied to aeroservoelastic flight data from the NASA Dryden Flight Research Center F-18 Systems Research Aircraft.

Nonparallel linear stability analysis of unconfined vortices

NASA Astrophysics Data System (ADS)

Herrada, M. A.; Barrero, A.

2004-10-01

Parabolized stability equations [F. P. Bertolotti, Th. Herbert, and P. R. Spalart, J. Fluid. Mech. 242, 441 (1992)] have been used to study the stability of a family of swirling jets at high Reynolds numbers whose velocity and pressure fields decay far from the axis as rm-2 and r2(m-2), respectively [M. Pérez-Saborid, M. A. Herrada, A. Gómez-Barea, and A. Barrero, J. Fluid. Mech. 471, 51 (2002)]; r is the radial distance and m is a real number in the interval 0

Polymorphism and Elastic Response of Molecular Materials from First Principles: How Hard Can it Be?

NASA Astrophysics Data System (ADS)

Reilly, Anthony; Tkatchenko, Alexandre

2014-03-01

Molecular materials are of great fundamental and applied importance in science and industry, with numerous applications in pharmaceuticals, electronics, sensing, and catalysis. A key challenge for theory has been the prediction of their stability, polymorphism and response to perturbations. While pairwise models of van der Waals (vdW) interactions have improved the ability of density functional theory (DFT) to model these systems, substantial quantitative and even qualitative failures remain. In this contribution we show how a many-body description of vdW interactions can dramatically improve the accuracy of DFT for molecular materials, yielding quantitative description of stabilities and polymorphism for these challenging systems. Moreover, the role of many-body vdW interactions goes beyond stabilities to response properties. In particular, we have studied the elastic properties of a series of molecular crystals, finding that many-body vdW interactions can account for up to 30% of the elastic response, leading to quantitative and qualitative changes in elastic behavior. We will illustrate these crucial effects with the challenging case of the polymorphs of aspirin, leading to a better understanding of the conflicting experimental and theoretical studies of this system.

Rotation in vibration, optimization, and aeroelastic stability problems. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Kaza, K. R. V.

1974-01-01

The effects of rotation in the areas of vibrations, dynamic stability, optimization, and aeroelasticity were studied. The governing equations of motion for the study of vibration and dynamic stability of a rapidly rotating deformable body were developed starting from the nonlinear theory of elasticity. Some common features such as the limitations of the classical theory of elasticity, the choice of axis system, the property of self-adjointness, the phenomenon of frequency splitting, shortcomings of stability methods as applied to gyroscopic systems, and the effect of internal and external damping on stability in gyroscopic systems are identified and discussed, and are then applied to three specific problems.

Prediction of in vivo developmental toxicity by combination of Hand1-Luc embryonic stem cell test and metabolic stability test with clarification of metabolically inapplicable candidates.

PubMed

Nagahori, Hirohisa; Suzuki, Noriyuki; Le Coz, Florian; Omori, Takashi; Saito, Koichi

2016-09-30

Hand1-Luc Embryonic Stem Cell Test (Hand1-Luc EST) is a promising alternative method for evaluation of developmental toxicity. However, the problems of predictivity have remained due to appropriateness of the solubility, metabolic system, and prediction model. Therefore, we assessed the usefulness of rat liver S9 metabolic stability test using LC-MS/MS to develop new prediction model. A total of 71 chemicals were analyzed by measuring cytotoxicity and differentiation toxicity, and highly reproducible (CV=20%) results were obtained. The first prediction model was developed by discriminant analysis performed on a full dataset using Hand1-Luc EST, and 66.2% of the chemicals were correctly classified by the cross-validated classification. A second model was developed with additional descriptors obtained from the metabolic stability test to calculate hepatic availability, and an accuracy of 83.3% was obtained with applicability domain of 50.7% (=36/71) after exclusion of 22 metabolically inapplicable candidates, which potentially have a metabolic activation property. A step-wise prediction scheme with combination of Hand1-Luc EST and metabolic stability test was therefore proposed. The current results provide a promising in vitro test method for accurately predicting in vivo developmental toxicity. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Extinction vulnerability of coral reef fishes.

PubMed

Graham, Nicholas A J; Chabanet, Pascale; Evans, Richard D; Jennings, Simon; Letourneur, Yves; Aaron Macneil, M; McClanahan, Tim R; Ohman, Marcus C; Polunin, Nicholas V C; Wilson, Shaun K

2011-04-01

With rapidly increasing rates of contemporary extinction, predicting extinction vulnerability and identifying how multiple stressors drive non-random species loss have become key challenges in ecology. These assessments are crucial for avoiding the loss of key functional groups that sustain ecosystem processes and services. We developed a novel predictive framework of species extinction vulnerability and applied it to coral reef fishes. Although relatively few coral reef fishes are at risk of global extinction from climate disturbances, a negative convex relationship between fish species locally vulnerable to climate change vs. fisheries exploitation indicates that the entire community is vulnerable on the many reefs where both stressors co-occur. Fishes involved in maintaining key ecosystem functions are more at risk from fishing than climate disturbances. This finding is encouraging as local and regional commitment to fisheries management action can maintain reef ecosystem functions pending progress towards the more complex global problem of stabilizing the climate. © 2011 Blackwell Publishing Ltd/CNRS.

Prediction of the Hydrogen Peroxide-Induced Methionine Oxidation Propensity in Monoclonal Antibodies.

PubMed

Agrawal, Neeraj J; Dykstra, Andrew; Yang, Jane; Yue, Hai; Nguyen, Xichdao; Kolvenbach, Carl; Angell, Nicolas

2018-05-01

Methionine oxidation in therapeutic antibodies can impact the product's stability, clinical efficacy, and safety and hence it is desirable to address the methionine oxidation liability during antibody discovery and development phase. Although the current experimental approaches can identify the oxidation-labile methionine residues, their application is limited mostly to the development phase. We demonstrate an in silico method that can be used to predict oxidation-labile residues based solely on the antibody sequence and structure information. Since antibody sequence information is available in the discovery phase, the in silico method can be applied very early on to identify the oxidation-labile methionine residues and subsequently address the oxidation liability. We believe that the in silico method for methionine oxidation liability assessment can aid in antibody discovery and development phase to address the liability in a more rational way. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Prediction of axial limit capacity of stone columns using dimensional analysis

NASA Astrophysics Data System (ADS)

Nazaruddin A., T.; Mohamed, Zainab; Mohd Azizul, L.; Hafez M., A.

2017-08-01

Stone column is the most favorable method used by engineers in designing work for stabilization of soft ground for road embankment, and foundation for liquid structure. Easy installation and cheaper cost are among the factors that make stone column more preferable than other method. Furthermore, stone column also can acts as vertical drain to increase the rate of consolidation during preloading stage before construction work started. According to previous studied there are several parameters that influence the capacity of stone column. Among of them are angle friction of among the stones, arrangement of column (two pattern arrangement most applied triangular and square), spacing center to center between columns, shear strength of soil, and physical size of column (diameter and length). Dimensional analysis method (Buckingham-Pi Theorem) has used to carry out the new formula for prediction of load capacity stone columns. Experimental data from two previous studies was used for analysis of study.

Visualizing In Situ Microstructure Dependent Crack Tip Stress Distribution in IN-617 Using Nano-mechanical Raman Spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, Yang; Mohanty, Debapriya P.; Tomar, Vikas

2016-11-01

Inconel 617 (IN-617) is a solid solution alloy, which is widely used in applications that require high-temperature component operation due to its high-temperature stability and strength as well as strong resistance to oxidation and carburization. The current work focuses on in situ measurements of stress distribution under 3-point bending at elevated temperature in IN-617. A nanomechanical Raman spectroscopy measurement platform was designed and built based on a combination of a customized open Raman spectroscopy (NMRS) system incorporating a motorized scanning and imaging system with a nanomechanical loading platform. Based on the scanning of the crack tip notch area using the NMRS notch tip, stress distribution under applied load with micron-scale resolution for analyzed microstructures is predicted. A finite element method-based formulation to predict crack tip stresses is presented and validated using the presented experimental data.

Extinction vulnerability of coral reef fishes

PubMed Central

Graham, Nicholas A J; Chabanet, Pascale; Evans, Richard D; Jennings, Simon; Letourneur, Yves; Aaron MacNeil, M; McClanahan, Tim R; Öhman, Marcus C; Polunin, Nicholas V C; Wilson, Shaun K

2011-01-01

With rapidly increasing rates of contemporary extinction, predicting extinction vulnerability and identifying how multiple stressors drive non-random species loss have become key challenges in ecology. These assessments are crucial for avoiding the loss of key functional groups that sustain ecosystem processes and services. We developed a novel predictive framework of species extinction vulnerability and applied it to coral reef fishes. Although relatively few coral reef fishes are at risk of global extinction from climate disturbances, a negative convex relationship between fish species locally vulnerable to climate change vs. fisheries exploitation indicates that the entire community is vulnerable on the many reefs where both stressors co-occur. Fishes involved in maintaining key ecosystem functions are more at risk from fishing than climate disturbances. This finding is encouraging as local and regional commitment to fisheries management action can maintain reef ecosystem functions pending progress towards the more complex global problem of stabilizing the climate. PMID:21320260

Perceived Marginalization and the Prediction of Romantic Relationship Stability

ERIC Educational Resources Information Center

Lehmiller, Justin J.; Agnew, Christopher R.

2007-01-01

The present research examined how perceived marginalization of one's romantic relationship is associated with level of future commitment to and stability of that involvement. Results from a 7-month longitudinal study of romantically involved individuals (N = 215) revealed that perceived social network marginalization at Time 1 predicted breakup…

Predicting the Stability of Hypervalent Molecules

ERIC Educational Resources Information Center

Mitchell, Tracy A.; Finnocchio, Debbie; Kua, Jeremy

2007-01-01

An exercise is described which introduces students to using concepts in thermochemistry to predict relative stability of a hypervalent molecule. Students will compare the energies of formation for both fluoride and the hydride by calculations and they will also explore the issue of partial ionic character in polar covalent bonds.

Aeroelastic loads and stability investigation of a full-scale hingeless rotor

NASA Technical Reports Server (NTRS)

Peterson, Randall L.; Johnson, Wayne

1991-01-01

An analytical investigation was conducted to study the influence of various parameters on predicting the aeroelastic loads and stability of a full-scale hingeless rotor in hover and forward flight. The CAMRAD/JA (Comprehensive Analytical Model of Rotorcraft Aerodynamics and Dynamics, Johnson Aeronautics) analysis code is used to obtain the analytical predictions. Data are presented for rotor blade bending and torsional moments as well as inplane damping data obtained for rotor operation in hover at a constant rotor rotational speed of 425 rpm and thrust coefficients between 0.0 and 0.12. Experimental data are presented from a test in the wind tunnel. Validation of the rotor system structural model with experimental rotor blade loads data shows excellent correlation with analytical results. Using this analysis, the influence of different aerodynamic inflow models, the number of generalized blade and body degrees of freedom, and the control-system stiffness at predicted stability levels are shown. Forward flight predictions of the BO-105 rotor system for 1-G thrust conditions at advance ratios of 0.0 to 0.35 are presented. The influence of different aerodynamic inflow models, dynamic inflow models and shaft angle variations on predicted stability levels are shown as a function of advance ratio.

Pairing states of superfluid 3He in uniaxially anisotropic aerogel

NASA Astrophysics Data System (ADS)

Aoyama, Kazushi; Ikeda, Ryusuke

2006-02-01

Stable pairing states of superfluid 3He in aerogel are examined in the case with a global uniaxial anisotropy which may be created by applying a uniaxial stress to the aerogel. Due to such a global anisotropy, the stability region of an Anderson-Brinkman-Morel (ABM) pairing state becomes wider. In a uniaxially stretched aerogel, the pure polar pairing state with a horizontal line node is predicted to occur, as a three-dimensional superfluid phase, over a measurable width just below the superfluid transition at Tc (P) . A possible relevance of the present results to the case with no global anisotropy is also discussed.

Non-circulatory fluid forces on porous bodies with application to panel flutter

NASA Astrophysics Data System (ADS)

Hajian, Rozhin; Jaworski, Justin W.

2017-11-01

The non-circulatory fluid forces acting on an oscillating porous panel or airfoil in uniform incompressible flow are derived from linearized potential theory. The fundamental integral equation for Holder-continuous porosity distributions is formulated and solved numerically for the special cases of non-porous and uniformly-porous panels with prescribed structural deformations. The new unsteady aerodynamic forces are then applied to aeroelastic stability predictions for porous panels or liners. Results from this analysis aim to form the basis of a complete unsteady aerodynamic theory for porous airfoils and their acoustic emissions based upon the unique attributes of natural fliers and swimmers.

Modeling and control of plasma rotation and βn for NSTX-U using Neoclassical Toroidal Viscosity and Neutral Beam Injection

NASA Astrophysics Data System (ADS)

Goumiri, Imene; Rowley, Clarence; Sabbagh, Steven; Gates, David; Gerhardt, Stefan; Boyer, Mark

2015-11-01

A model-based system is presented allowing control of the plasma rotation profile in a magnetically confined toroidal fusion device to maintain plasma stability for long pulse operation. The analysis, using NSTX data and NSTX-U TRANSP simulations, is aimed at controlling plasma rotation using momentum from six injected neutral beams and neoclassical toroidal viscosity generated by three-dimensional applied magnetic fields as actuators. Based on the momentum diffusion and torque balance model obtained, a feedback controller is designed and predictive simulations using TRANSP will be presented. Robustness of the model and the rotation controller will be discussed.

Criticality of Adaptive Control Dynamics

NASA Astrophysics Data System (ADS)

Patzelt, Felix; Pawelzik, Klaus

2011-12-01

We show, that stabilization of a dynamical system can annihilate observable information about its structure. This mechanism induces critical points as attractors in locally adaptive control. It also reveals, that previously reported criticality in simple controllers is caused by adaptation and not by other controller details. We apply these results to a real-system example: human balancing behavior. A model of predictive adaptive closed-loop control subject to some realistic constraints is introduced and shown to reproduce experimental observations in unprecedented detail. Our results suggests, that observed error distributions in between the Lévy and Gaussian regimes may reflect a nearly optimal compromise between the elimination of random local trends and rare large errors.

A slewing control experiment for flexible structures

NASA Technical Reports Server (NTRS)

Juang, J.-N.; Horta, L. G.; Robertshaw, H. H.

1985-01-01

A hardware set-up has been developed to study slewing control for flexible structures including a steel beam and a solar panel. The linear optimal terminal control law is used to design active controllers which are implemented in an analog computer. The objective of this experiment is to demonstrate and verify the dynamics and optimal terminal control laws as applied to flexible structures for large angle maneuver. Actuation is provided by an electric motor while sensing is given by strain gages and angle potentiometer. Experimental measurements are compared with analytical predictions in terms of modal parameters of the system stability matrix and sufficient agreement is achieved to validate the theory.

STRUM: structure-based prediction of protein stability changes upon single-point mutation.

PubMed

Quan, Lijun; Lv, Qiang; Zhang, Yang

2016-10-01

Mutations in human genome are mainly through single nucleotide polymorphism, some of which can affect stability and function of proteins, causing human diseases. Several methods have been proposed to predict the effect of mutations on protein stability; but most require features from experimental structure. Given the fast progress in protein structure prediction, this work explores the possibility to improve the mutation-induced stability change prediction using low-resolution structure modeling. We developed a new method (STRUM) for predicting stability change caused by single-point mutations. Starting from wild-type sequences, 3D models are constructed by the iterative threading assembly refinement (I-TASSER) simulations, where physics- and knowledge-based energy functions are derived on the I-TASSER models and used to train STRUM models through gradient boosting regression. STRUM was assessed by 5-fold cross validation on 3421 experimentally determined mutations from 150 proteins. The Pearson correlation coefficient (PCC) between predicted and measured changes of Gibbs free-energy gap, ΔΔG, upon mutation reaches 0.79 with a root-mean-square error 1.2 kcal/mol in the mutation-based cross-validations. The PCC reduces if separating training and test mutations from non-homologous proteins, which reflects inherent correlations in the current mutation sample. Nevertheless, the results significantly outperform other state-of-the-art methods, including those built on experimental protein structures. Detailed analyses show that the most sensitive features in STRUM are the physics-based energy terms on I-TASSER models and the conservation scores from multiple-threading template alignments. However, the ΔΔG prediction accuracy has only a marginal dependence on the accuracy of protein structure models as long as the global fold is correct. These data demonstrate the feasibility to use low-resolution structure modeling for high-accuracy stability change prediction upon point mutations. http://zhanglab.ccmb.med.umich.edu/STRUM/ CONTACT: qiang@suda.edu.cn and zhng@umich.edu Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

STRUM: structure-based prediction of protein stability changes upon single-point mutation

PubMed Central

Quan, Lijun; Lv, Qiang; Zhang, Yang

2016-01-01

Motivation: Mutations in human genome are mainly through single nucleotide polymorphism, some of which can affect stability and function of proteins, causing human diseases. Several methods have been proposed to predict the effect of mutations on protein stability; but most require features from experimental structure. Given the fast progress in protein structure prediction, this work explores the possibility to improve the mutation-induced stability change prediction using low-resolution structure modeling. Results: We developed a new method (STRUM) for predicting stability change caused by single-point mutations. Starting from wild-type sequences, 3D models are constructed by the iterative threading assembly refinement (I-TASSER) simulations, where physics- and knowledge-based energy functions are derived on the I-TASSER models and used to train STRUM models through gradient boosting regression. STRUM was assessed by 5-fold cross validation on 3421 experimentally determined mutations from 150 proteins. The Pearson correlation coefficient (PCC) between predicted and measured changes of Gibbs free-energy gap, ΔΔG, upon mutation reaches 0.79 with a root-mean-square error 1.2 kcal/mol in the mutation-based cross-validations. The PCC reduces if separating training and test mutations from non-homologous proteins, which reflects inherent correlations in the current mutation sample. Nevertheless, the results significantly outperform other state-of-the-art methods, including those built on experimental protein structures. Detailed analyses show that the most sensitive features in STRUM are the physics-based energy terms on I-TASSER models and the conservation scores from multiple-threading template alignments. However, the ΔΔG prediction accuracy has only a marginal dependence on the accuracy of protein structure models as long as the global fold is correct. These data demonstrate the feasibility to use low-resolution structure modeling for high-accuracy stability change prediction upon point mutations. Availability and Implementation: http://zhanglab.ccmb.med.umich.edu/STRUM/ Contact: qiang@suda.edu.cn and zhng@umich.edu Supplementary information: Supplementary data are available at Bioinformatics online. PMID:27318206

Food web complexity and stability across habitat connectivity gradients.

PubMed

LeCraw, Robin M; Kratina, Pavel; Srivastava, Diane S

2014-12-01

The effects of habitat connectivity on food webs have been studied both empirically and theoretically, yet the question of whether empirical results support theoretical predictions for any food web metric other than species richness has received little attention. Our synthesis brings together theory and empirical evidence for how habitat connectivity affects both food web stability and complexity. Food web stability is often predicted to be greatest at intermediate levels of connectivity, representing a compromise between the stabilizing effects of dispersal via rescue effects and prey switching, and the destabilizing effects of dispersal via regional synchronization of population dynamics. Empirical studies of food web stability generally support both this pattern and underlying mechanisms. Food chain length has been predicted to have both increasing and unimodal relationships with connectivity as a result of predators being constrained by the patch occupancy of their prey. Although both patterns have been documented empirically, the underlying mechanisms may differ from those predicted by models. In terms of other measures of food web complexity, habitat connectivity has been empirically found to generally increase link density but either reduce or have no effect on connectance, whereas a unimodal relationship is expected. In general, there is growing concordance between empirical patterns and theoretical predictions for some effects of habitat connectivity on food webs, but many predictions remain to be tested over a full connectivity gradient, and empirical metrics of complexity are rarely modeled. Closing these gaps will allow a deeper understanding of how natural and anthropogenic changes in connectivity can affect real food webs.

Improving the accuracy of protein stability predictions with multistate design using a variety of backbone ensembles.

PubMed

Davey, James A; Chica, Roberto A

2014-05-01

Multistate computational protein design (MSD) with backbone ensembles approximating conformational flexibility can predict higher quality sequences than single-state design with a single fixed backbone. However, it is currently unclear what characteristics of backbone ensembles are required for the accurate prediction of protein sequence stability. In this study, we aimed to improve the accuracy of protein stability predictions made with MSD by using a variety of backbone ensembles to recapitulate the experimentally measured stability of 85 Streptococcal protein G domain β1 sequences. Ensembles tested here include an NMR ensemble as well as those generated by molecular dynamics (MD) simulations, by Backrub motions, and by PertMin, a new method that we developed involving the perturbation of atomic coordinates followed by energy minimization. MSD with the PertMin ensembles resulted in the most accurate predictions by providing the highest number of stable sequences in the top 25, and by correctly binning sequences as stable or unstable with the highest success rate (≈90%) and the lowest number of false positives. The performance of PertMin ensembles is due to the fact that their members closely resemble the input crystal structure and have low potential energy. Conversely, the NMR ensemble as well as those generated by MD simulations at 500 or 1000 K reduced prediction accuracy due to their low structural similarity to the crystal structure. The ensembles tested herein thus represent on- or off-target models of the native protein fold and could be used in future studies to design for desired properties other than stability. Copyright © 2013 Wiley Periodicals, Inc.

Thermally driven magnetic precession in spin valves

NASA Astrophysics Data System (ADS)

Luc, David; Waintal, Xavier

2014-10-01

We investigate the angular dependence of the spin torque generated when applying a temperature difference across a spin valve. Our study shows the presence of a nontrivial fixed point in this angular dependence. This fixed point opens the possibility for a temperature gradient to stabilize radio frequency oscillations without the need for an external magnetic field. This so-called "wavy" behavior can already be found upon applying a voltage difference across a spin valve but we find that this effect is much more pronounced with a temperature difference. We find that a spin asymmetry of the Seebeck coefficient of the order of 20 μ VK -1 should be large enough for a temperature gradient of a few degrees to trigger the radio-frequency oscillations. Our semiclassical theory is fully parametrized with experimentally measured(able) parameters and allows one to quantitatively predict the amplitude of the torque.

Flight test evaluation of predicted light aircraft drag, performance, and stability

NASA Technical Reports Server (NTRS)

Smetana, F. O.; Fox, S. R.

1979-01-01

A technique was developed which permits simultaneous extraction of complete lift, drag, and thrust power curves from time histories of a single aircraft maneuver such as a pull up (from V max to V stall) and pushover (to V max for level flight). The technique, which is an extension of nonlinear equations of motion of the parameter identification methods of Iliff and Taylor and includes provisions for internal data compatibility improvement as well, was shown to be capable of correcting random errors in the most sensitive data channel and yielding highly accurate results. Flow charts, listings, sample inputs and outputs for the relevant routines are provided as appendices. This technique was applied to flight data taken on the ATLIT aircraft. Lack of adequate knowledge of the correct full throttle thrust horsepower true airspeed variation and considerable internal data inconsistency made it impossible to apply the trajectory matching features of the technique.

First-principles predictions of structural, mechanical and electronic properties of βTiNb under high pressure

NASA Astrophysics Data System (ADS)

Wang, Z. P.; Fang, Q. H.; Li, J.; Liu, B.

2018-04-01

Structural, mechanical and electronic properties of βTiNb alloy under high pressure have been investigated based on the density functional theory (DFT). The dependences of dimensionless volume ratio, elastic constants, bulk modulus, Young's modulus, shear modulus, ductile/brittle, anisotropy and Poisson's ratio on applied pressure are all calculated successfully. The results reveal that βTiNb alloy is mechanically stable under pressure below 23.45 GPa, and the pressure-induced phase transformation could occur beyond this critical value. Meanwhile, the applied pressure can effectively promote the mechanical properties of βTiNb alloy, including the resistances to volume change, elastic deformation and shear deformation, as well as the material ductility and metallicity. Furthermore, the calculated electronic structures testify that βTiNb alloy performs the metallicity and the higher pressure reduces the structural stability of unit cell.

Catch bonding in the forced dissociation of a polymer endpoint

NASA Astrophysics Data System (ADS)

Vrusch, Cyril; Storm, Cornelis

2018-04-01

Applying a force to certain supramolecular bonds may initially stabilize them, manifested by a lower dissociation rate. We show that this behavior, known as catch bonding and by now broadly reported in numerous biophysics bonds, is generically expected when either or both the trapping potential and the force applied to the bond possess some degree of nonlinearity. We enumerate possible scenarios and for each identify the possibility and, if applicable, the criterion for catch bonding to occur. The effect is robustly predicted by Kramers theory and Mean First Passage Time theory and confirmed in direct molecular dynamics simulation. Among the catch scenarios, one plays out essentially any time the force on the bond originates in a polymeric object, implying that some degree of catch bond behavior is to be expected in many settings relevant to polymer network mechanics or optical tweezer experiments.

Inducible defenses in food webs: Chapter 3.4

USGS Publications Warehouse

Vos, Matthijs; Kooi, Bob W.; DeAngelis, Donald L.; Mooij, Wolf M.; de Ruiter, Peter; Wolters, Volkmar; Moore, John C.; Melville-Smith, Kimberly

2005-01-01

This chapter reviews the predicted effects of induced defenses on trophic structure and two aspects of stability, “local” stability and persistence, as well as presenting novel results on a third, resilience. Food webs are structures of populations in a given location organized according to their predator–prey interactions. Interaction strengths and, therefore, prey defenses are generally recognized as important ecological factors affecting food webs. Despite this, surprisingly, little light has been shed on the food web-level consequences of inducible defenses. Inducible defenses occur in many taxa in both terrestrial and aquatic food webs. They include refuge use, reduced activity, adaptive life history changes, the production of toxins, synomones and extrafloral nectar, and the formation of colonies, helmets, thorns, or spines. In the chapter, theoretical results for the effects of inducible defenses on trophic structure and the three aspects of stability are reviewed. This is done, in part, using bifurcation analysis—a type of analysis that is applied to nonlinear dynamic systems described by a set of ordinary differential or difference equations. The work presented in the chapter suggests that heterogeneity, as caused by induced defenses in prey species, has major effects on the functioning of food webs. Inducible defenses occur in many species in both aquatic and terrestrial systems, and theoretical work indicates they have major effects on important food web properties such as trophic structure, local stability, persistence, and resilience.

Generalization of von Neumann analysis for a model of two discrete half-spaces: The acoustic case

USGS Publications Warehouse

Haney, M.M.

2007-01-01

Evaluating the performance of finite-difference algorithms typically uses a technique known as von Neumann analysis. For a given algorithm, application of the technique yields both a dispersion relation valid for the discrete time-space grid and a mathematical condition for stability. In practice, a major shortcoming of conventional von Neumann analysis is that it can be applied only to an idealized numerical model - that of an infinite, homogeneous whole space. Experience has shown that numerical instabilities often arise in finite-difference simulations of wave propagation at interfaces with strong material contrasts. These interface instabilities occur even though the conventional von Neumann stability criterion may be satisfied at each point of the numerical model. To address this issue, I generalize von Neumann analysis for a model of two half-spaces. I perform the analysis for the case of acoustic wave propagation using a standard staggered-grid finite-difference numerical scheme. By deriving expressions for the discrete reflection and transmission coefficients, I study under what conditions the discrete reflection and transmission coefficients become unbounded. I find that instabilities encountered in numerical modeling near interfaces with strong material contrasts are linked to these cases and develop a modified stability criterion that takes into account the resulting instabilities. I test and verify the stability criterion by executing a finite-difference algorithm under conditions predicted to be stable and unstable. ?? 2007 Society of Exploration Geophysicists.

Model Checking a Byzantine-Fault-Tolerant Self-Stabilizing Protocol for Distributed Clock Synchronization Systems

NASA Technical Reports Server (NTRS)

Malekpour, Mahyar R.

2007-01-01

This report presents the mechanical verification of a simplified model of a rapid Byzantine-fault-tolerant self-stabilizing protocol for distributed clock synchronization systems. This protocol does not rely on any assumptions about the initial state of the system. This protocol tolerates bursts of transient failures, and deterministically converges within a time bound that is a linear function of the self-stabilization period. A simplified model of the protocol is verified using the Symbolic Model Verifier (SMV) [SMV]. The system under study consists of 4 nodes, where at most one of the nodes is assumed to be Byzantine faulty. The model checking effort is focused on verifying correctness of the simplified model of the protocol in the presence of a permanent Byzantine fault as well as confirmation of claims of determinism and linear convergence with respect to the self-stabilization period. Although model checking results of the simplified model of the protocol confirm the theoretical predictions, these results do not necessarily confirm that the protocol solves the general case of this problem. Modeling challenges of the protocol and the system are addressed. A number of abstractions are utilized in order to reduce the state space. Also, additional innovative state space reduction techniques are introduced that can be used in future verification efforts applied to this and other protocols.

Cy3 and Cy5 dyes attached to oligonucleotide terminus stabilize DNA duplexes: predictive thermodynamic model.

PubMed

Moreira, Bernardo G; You, Yong; Owczarzy, Richard

2015-03-01

Cyanine dyes are important chemical modifications of oligonucleotides exhibiting intensive and stable fluorescence at visible light wavelengths. When Cy3 or Cy5 dye is attached to 5' end of a DNA duplex, the dye stacks on the terminal base pair and stabilizes the duplex. Using optical melting experiments, we have determined thermodynamic parameters that can predict the effects of the dyes on duplex stability quantitatively (ΔG°, Tm). Both Cy dyes enhance duplex formation by 1.2 kcal/mol on average, however, this Gibbs energy contribution is sequence-dependent. If the Cy5 is attached to a pyrimidine nucleotide of pyrimidine-purine base pair, the stabilization is larger compared to the attachment to a purine nucleotide. This is likely due to increased stacking interactions of the dye to the purine of the complementary strand. Dangling (unpaired) nucleotides at duplex terminus are also known to enhance duplex stability. Stabilization originated from the Cy dyes is significantly larger than the stabilization due to the presence of dangling nucleotides. If both the dangling base and Cy3 are present, their thermodynamic contributions are approximately additive. New thermodynamic parameters improve predictions of duplex folding, which will help design oligonucleotide sequences for biophysical, biological, engineering, and nanotechnology applications. Copyright © 2015. Published by Elsevier B.V.

Predicting fluctuations-caused regime shifts in a time delayed dynamics of an invading species

NASA Astrophysics Data System (ADS)

Xie, Qingshuang; Wang, Tonghuan; Zeng, Chunhua; Dong, Xiaohui; Guan, Lin

2018-03-01

In this paper, we investigate early warning signals (EWS) of regime shifts in a density-dependent invading population model with time delay, in which the population density is assumed to be disturbed by intrinsic and extrinsic fluctuations. It is shown that the time delay and noises can cause the regime shifts between low and high population density states. The regime shift time (RST) as a function of noise intensity exhibits a maximum, which identifies the signature of the noise-enhanced stability of the low density state, while the time delay weakens the stability of the low density state. Applying the Kramers time technique, we also discuss the intersection point of the RST between low and high population density states, i.e., a critical point in the RST is found. Therefore, the critical point may give an EWS of regime shifts from one alternative state to another one for the changes in the noise parameters and time delay.

Excimer lasers

NASA Technical Reports Server (NTRS)

Palmer, A. J.; Hess, L. D.; Stephens, R. R.; Pepper, D. M.

1977-01-01

The results of a two-year investigation into the possibility of developing continuous wave excimer lasers are reported. The program included the evaluation and selection of candidate molecular systems and discharge pumping techniques. The K Ar/K2 excimer dimer molecules and the xenon fluoride excimer molecule were selected for study; each used a transverse and capillary discharges pumping technique. Experimental and theoretical studies of each of the two discharge techniques applied to each of the two molecular systems are reported. Discharge stability and fluorine consumption were found to be the principle impediments to extending the XeF excimer laser into the continuous wave regime. Potassium vapor handling problems were the principal difficulty in achieving laser action on the K Ar/K2 system. Of the four molecular systems and pumping techniques explored, the capillary discharge pumped K Ar/K2 system appears to be the most likely candidate for demonstrating continuous wave excimer laser action primarily because of its predicted lower pumping threshold and a demonstrated discharge stability advantage.

Mode-locking evolution in ring fiber lasers with tunable repetition rate.

PubMed

Korobko, D A; Fotiadi, A A; Zolotovskii, I O

2017-09-04

We have applied a simple approach to analyze behavior of the harmonically mode-locked fiber laser incorporating an adjustable Mach-Zehnder interferometer (MZI). Our model is able to describe key features of the laser outputs and explore limitations of physical mechanisms responsible for laser operation at different pulse repetition rates tuned over a whole GHz range. At low repetition rates the laser operates as a harmonically mode-locked soliton laser triggered by a fast saturable absorber. At high repetition rates the laser mode-locking occurs due to dissipative four-wave mixing seeded by MZI and gain spectrum filtering. However, the laser stability in this regime is rather low due to poor mode selectivity provided by MZI that is able to support the desired laser operation just near the lasing threshold. The use of a double MZI instead of a single MZI could improve the laser stability and extends the range of the laser tunability. The model predicts a gap between two repetitive rate ranges where pulse train generation is not supported.

BLSTA: A boundary layer code for stability analysis

NASA Technical Reports Server (NTRS)

Wie, Yong-Sun

1992-01-01

A computer program is developed to solve the compressible, laminar boundary-layer equations for two-dimensional flow, axisymmetric flow, and quasi-three-dimensional flows including the flow along the plane of symmetry, flow along the leading-edge attachment line, and swept-wing flows with a conical flow approximation. The finite-difference numerical procedure used to solve the governing equations is second-order accurate. The flow over a wide range of speed, from subsonic to hypersonic speed with perfect gas assumption, can be calculated. Various wall boundary conditions, such as wall suction or blowing and hot or cold walls, can be applied. The results indicate that this boundary-layer code gives velocity and temperature profiles which are accurate, smooth, and continuous through the first and second normal derivatives. The code presented herein can be coupled with a stability analysis code and used to predict the onset of the boundary-layer transition which enables the assessment of the laminar flow control techniques. A user's manual is also included.

Mechanistic insights into chemical and photochemical transformations of bismuth vanadate photoanodes

DOE PAGES

Toma, Francesca M.; Cooper, Jason K.; Kunzelmann, Viktoria; ...

2016-07-05

Artificial photosynthesis relies on the availability of semiconductors that are chemically stable and can efficiently capture solar energy. Although metal oxide semiconductors have been investigated for their promise to resist oxidative attack, materials in this class can suffer from chemical and photochemical instability. Here we present a methodology for evaluating corrosion mechanisms and apply it to bismuth vanadate, a state-of-the-art photoanode. Analysis of changing morphology and composition under solar water splitting conditions reveals chemical instabilities that are not predicted from thermodynamic considerations of stable solid oxide phases, as represented by the Pourbaix diagram for the system. Computational modelling indicates thatmore » photoexcited charge carriers accumulated at the surface destabilize the lattice, and that self-passivation by formation of a chemically stable surface phase is kinetically hindered. Although chemical stability of metal oxides cannot be assumed, insight into corrosion mechanisms aids development of protection strategies and discovery of semiconductors with improved stability.« less

An integrated control strategy for the composite braking system of an electric vehicle with independently driven axles

NASA Astrophysics Data System (ADS)

Sun, Fengchun; Liu, Wei; He, Hongwen; Guo, Hongqiang

2016-08-01

For an electric vehicle with independently driven axles, an integrated braking control strategy was proposed to coordinate the regenerative braking and the hydraulic braking. The integrated strategy includes three modes, namely the hybrid composite mode, the parallel composite mode and the pure hydraulic mode. For the hybrid composite mode and the parallel composite mode, the coefficients of distributing the braking force between the hydraulic braking and the two motors' regenerative braking were optimised offline, and the response surfaces related to the driving state parameters were established. Meanwhile, the six-sigma method was applied to deal with the uncertainty problems for reliability. Additionally, the pure hydraulic mode is activated to ensure the braking safety and stability when the predictive failure of the response surfaces occurs. Experimental results under given braking conditions showed that the braking requirements could be well met with high braking stability and energy regeneration rate, and the reliability of the braking strategy was guaranteed on general braking conditions.

Multifunctional cyanate ester nanocomposites reinforced by hexagonal boron nitride after noncovalent biomimetic functionalization.

PubMed

Wu, Hongchao; Kessler, Michael R

2015-03-18

Boron nitride (BN) reinforced polymer nanocomposites have attracted a growing research interest in the microelectronic industry for their uniquely thermal conductive but electrical insulating properties. To overcome the challenges in surface functionalization, in this study, hexagonal boron nitride (h-BN) nanoparticles were noncovalently modified with polydopamine in a solvent-free aqueous condition. The strong π-π interaction between the hexagonal structural BN and aromatic dopamine molecules facilitated 15 wt % polydopamine encapsulating the nanoparticles. High-performance bisphenol E cyanate ester (BECy) was incorporated by homogeneously dispersed h-BN at different loadings and functionalities to investigate their effects on thermo-mechanical, dynamic-mechanical, and dielectric properties, as well as thermal conductivity. Different theoretical and empirical models were successfully applied to predict thermal and dielectric properties of h-BN/BECy nanocomposites. Overall, the prepared h-BN/BECy nanocomposites exhibited outstanding performance in dimensional stability, dynamic-mechanical properties, and thermal conductivity, together with the controllable dielectric property and preserved thermal stability for high-temperature applications.

Towards Adaptive Educational Assessments: Predicting Student Performance using Temporal Stability and Data Analytics in Learning Management Systems

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

Thakur, Gautam; Olama, Mohammed M; McNair, Wade

Data-driven assessments and adaptive feedback are becoming a cornerstone research in educational data analytics and involve developing methods for exploring the unique types of data that come from the educational context. For example, predicting college student performance is crucial for both the students and educational institutions. It can support timely intervention to prevent students from failing a course, increasing efficacy of advising functions, and improving course completion rate. In this paper, we present our efforts in using data analytics that enable educationists to design novel data-driven assessment and feedback mechanisms. In order to achieve this objective, we investigate temporal stabilitymore » of students grades and perform predictive analytics on academic data collected from 2009 through 2013 in one of the most commonly used learning management systems, called Moodle. First, we have identified the data features useful for assessments and predicting student outcomes such as students scores in homework assignments, quizzes, exams, in addition to their activities in discussion forums and their total Grade Point Average(GPA) at the same term they enrolled in the course. Second, time series models in both frequency and time domains are applied to characterize the progression as well as overall projections of the grades. In particular, the model analyzed the stability as well as fluctuation of grades among students during the collegiate years (from freshman to senior) and disciplines. Third, Logistic Regression and Neural Network predictive models are used to identify students as early as possible who are in danger of failing the course they are currently enrolled in. These models compute the likelihood of any given student failing (or passing) the current course. The time series analysis indicates that assessments and continuous feedback are critical for freshman and sophomores (even with easy courses) than for seniors, and those assessments may be provided using the predictive models. Numerical results are presented to evaluate and compare the performance of the developed models and their predictive accuracy. Our results show that there are strong ties associated with the first few weeks for coursework and they have an impact on the design and distribution of individual modules.« less

Stability and change in alcohol habits of different socio-demographic subgroups--a cohort study.

PubMed

Sydén, Lovisa; Wennberg, Peter; Forsell, Yvonne; Romelsjö, Anders

2014-05-29

Stability in alcohol habits varies over time and in subgroups, but there are few longitudinal studies assessing stability in alcohol habits by socio-demographic subgroups and potential predictors of stability and change. The aim was to study stability and change in alcohol habits by sex, age, and socio-economic position (SEP). Data derived from two longitudinal population based studies in Sweden; the PART study comprising 19 457 individuals aged 20-64 years in 1998-2000, and the Stockholm Public Health Cohort (SPHC) with 50 067 individuals aged 18-84 years in 2002. Both cohorts were followed-up twice; PART 2000-2003 and 2010, and SPHC 2007 and 2010. Alcohol habits were measured with the Alcohol Use Disorders Identification Test (AUDIT), and with normal weekly alcohol consumption (NWAC). Stability in alcohol habits was measured with intraclass correlation. Odds ratios were estimated in multinomial logistic regression analysis to predict stability in alcohol habits. For the two drinking measures there were no consistent patterns of stability in alcohol habits by sex or educational level. The stability was higher for older age groups and self-employed women. To be a man aged 30-39 at baseline predicted both increase and decrease in alcohol habits. The findings illustrate higher stability in alcohol habits with increasing age and among self-employed women with risky alcohol habits. To be a man and the age 30-39 predicted change in alcohol habits. No conclusive pattern of socio-economic position as predictor of change in alcohol habits was found and other studies of potential predictors seem warranted.

The effect of periodic forcing on the stability transition of ice friction

NASA Astrophysics Data System (ADS)

McCarthy, C.; Savage, H. M.; Skarbek, R. M.; Nettles, M.

2017-12-01

A growing body of literature documents the sensitivity of glacier flow to tidal modulation, raising the possibility of using glacier and ice stream response to relatively well-known periodic forcing to infer key glacier properties. However, much is unknown about the physics of tidal response, which can be quite large despite the small size of the tidal signal. Glaciers in Antarctica and Greenland display tidally triggered responses that vary from continuously modulated steady sliding to stick-slip motion with accompanying seismicity. In an attempt to explain differing behaviors of basal slip and aid in the prediction of future stability, we ran a series of laboratory friction experiments to explore the onset of stick-slip behavior in a simple ice-on-rock system exposed to shear velocity oscillations. Using a custom, cryo-friction apparatus, we conducted experiments in a double direct shear configuration in vertical displacement control, with constant horizontal/normal stress and at controlled temperature. A sinusoid in velocity was applied on top of the median load point velocity at various frequencies and amplitudes. We examined the effects of temperature (-2°C to -10°C), normal stress (0.1 to 1MPa), median velocity (1 and 10 microns/s), frequency (1 to 0.01 Hz), and amplitude (100% to 20% of the median) on frictional response. By varying the conditions within a single experiment, we observed transitions from smooth modulation, to repeatable stick-slips, to slow slip events. The rate and magnitude of loading appear to most strongly affect the system response. Velocity steps were analyzed to identify key rate-state parameters for the system. We will present a stability map that details the transition from stable to unstable sliding as functions of the above parameters. Ultimately these results can be scaled up to a glacier system, extended to include till and entrained debris, and used in modeling efforts to predict longterm stability of tidewater glaciers and ice streams.

Linear stability analysis of the three-dimensional thermally-driven ocean circulation: application to interdecadal oscillations

NASA Astrophysics Data System (ADS)

Huck, Thierry; Vallis, Geoffrey K.

2001-08-01

What can we learn from performing a linear stability analysis of the large-scale ocean circulation? Can we predict from the basic state the occurrence of interdecadal oscillations, such as might be found in a forward integration of the full equations of motion? If so, do the structure and period of the linearly unstable modes resemble those found in a forward integration? We pursue here a preliminary study of these questions for a case in idealized geometry, in which the full nonlinear behavior can also be explored through forward integrations. Specifically, we perform a three-dimensional linear stability analysis of the thermally-driven circulation of the planetary geostrophic equations. We examine the resulting eigenvalues and eigenfunctions, comparing them with the structure of the interdecadal oscillations found in the fully nonlinear model in various parameter regimes. We obtain a steady state by running the time-dependent, nonlinear model to equilibrium using restoring boundary conditions on surface temperature. If the surface heat fluxes are then diagnosed, and these values applied as constant flux boundary conditions, the nonlinear model switches into a state of perpetual, finite amplitude, interdecadal oscillations. We construct a linearized version of the model by empirically evaluating the tangent linear matrix at the steady state, under both restoring and constant-flux boundary conditions. An eigen-analysis shows there are no unstable eigenmodes of the linearized model with restoring conditions. In contrast, under constant flux conditions, we find a single unstable eigenmode that shows a striking resemblance to the fully-developed oscillations in terms of three-dimensional structure, period and growth rate. The mode may be damped through either surface restoring boundary conditions or sufficiently large horizontal tracer diffusion. The success of this simple numerical method in idealized geometry suggests applications in the study of the stability of the ocean circulation in more realistic configurations, and the possibility of predicting potential oceanic modes, even weakly damped, that might be excited by stochastic atmospheric forcing or mesoscale ocean eddies.

Sensitivity analysis and calibration of a dynamic physically based slope stability model

NASA Astrophysics Data System (ADS)

Zieher, Thomas; Rutzinger, Martin; Schneider-Muntau, Barbara; Perzl, Frank; Leidinger, David; Formayer, Herbert; Geitner, Clemens

2017-06-01

Physically based modelling of slope stability on a catchment scale is still a challenging task. When applying a physically based model on such a scale (1 : 10 000 to 1 : 50 000), parameters with a high impact on the model result should be calibrated to account for (i) the spatial variability of parameter values, (ii) shortcomings of the selected model, (iii) uncertainties of laboratory tests and field measurements or (iv) parameters that cannot be derived experimentally or measured in the field (e.g. calibration constants). While systematic parameter calibration is a common task in hydrological modelling, this is rarely done using physically based slope stability models. In the present study a dynamic, physically based, coupled hydrological-geomechanical slope stability model is calibrated based on a limited number of laboratory tests and a detailed multitemporal shallow landslide inventory covering two landslide-triggering rainfall events in the Laternser valley, Vorarlberg (Austria). Sensitive parameters are identified based on a local one-at-a-time sensitivity analysis. These parameters (hydraulic conductivity, specific storage, angle of internal friction for effective stress, cohesion for effective stress) are systematically sampled and calibrated for a landslide-triggering rainfall event in August 2005. The identified model ensemble, including 25 behavioural model runs with the highest portion of correctly predicted landslides and non-landslides, is then validated with another landslide-triggering rainfall event in May 1999. The identified model ensemble correctly predicts the location and the supposed triggering timing of 73.0 % of the observed landslides triggered in August 2005 and 91.5 % of the observed landslides triggered in May 1999. Results of the model ensemble driven with raised precipitation input reveal a slight increase in areas potentially affected by slope failure. At the same time, the peak run-off increases more markedly, suggesting that precipitation intensities during the investigated landslide-triggering rainfall events were already close to or above the soil's infiltration capacity.

Equilibrium high entropy alloy phase stability from experiments and thermodynamic modeling

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

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

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

Equilibrium high entropy alloy phase stability from experiments and thermodynamic modeling

DOE PAGES

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

2017-10-29

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

Prediction of packaging seal life using thermoanalytical techniques

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

Nigrey, P.J.

1997-11-01

In this study, Thermogravimetric Analysis (TGA) has been used to study silicone, Viton and Ethylene Propylene (EPDM) rubber. The studies have shown that TGA accurately predicts the relative order of thermo-oxidative stability of these three materials from the calculated activation energies. As expected, the greatest thermal stability was found in silicone rubber followed by Viton and EPDM rubber. The calculated lifetimes for these materials were in relatively close agreement with published values. The preliminary results also accurately reflect decreased thermal stability and lifetime for EPDM rubber exposed to radiation and chemicals. These results suggest TGA provides a rapid method tomore » evaluate material stability.« less

Efficient first-principles prediction of solid stability: Towards chemical accuracy

NASA Astrophysics Data System (ADS)

Zhang, Yubo; Kitchaev, Daniil A.; Yang, Julia; Chen, Tina; Dacek, Stephen T.; Sarmiento-Pérez, Rafael A.; Marques, Maguel A. L.; Peng, Haowei; Ceder, Gerbrand; Perdew, John P.; Sun, Jianwei

2018-03-01

The question of material stability is of fundamental importance to any analysis of system properties in condensed matter physics and materials science. The ability to evaluate chemical stability, i.e., whether a stoichiometry will persist in some chemical environment, and structure selection, i.e. what crystal structure a stoichiometry will adopt, is critical to the prediction of materials synthesis, reactivity and properties. Here, we demonstrate that density functional theory, with the recently developed strongly constrained and appropriately normed (SCAN) functional, has advanced to a point where both facets of the stability problem can be reliably and efficiently predicted for main group compounds, while transition metal compounds are improved but remain a challenge. SCAN therefore offers a robust model for a significant portion of the periodic table, presenting an opportunity for the development of novel materials and the study of fine phase transformations even in largely unexplored systems with little to no experimental data.

Flight evaluation of the transonic stability and control characteristics of an airplane incorporating a supercritical wing

NASA Technical Reports Server (NTRS)

Matheny, N. W.; Gatlin, D. H.

1978-01-01

A TF-8A airplane was equipped with a transport type supercritical wing and fuselage fairings to evaluate predicted performance improvements for cruise at transonic speeds. A comparison of aerodynamic derivatives extracted from flight and wind tunnel data showed that static longitudinal stability, effective dihedral, and aileron effectiveness, were higher than predicted. The static directional stability derivative was slower than predicted. The airplane's handling qualities were acceptable with the stability augmentation system on. The unaugmented airplane exhibited some adverse lateral directional characteristics that involved low Dutch roll damping and low roll control power at high angles of attack and roll control power that was greater than satisfactory for transport aircraft at cruise conditions. Longitudinally, the aircraft exhibited a mild pitchup tendency. Leading edge vortex generators delayed the onset of flow separation, moving the pitchup point to a higher lift coefficient and reducing its severity.

Simulating bank erosion over an extended natural sinuous river reach using a universal slope stability algorithm coupled with a morphodynamic model

NASA Astrophysics Data System (ADS)

Rousseau, Yannick Y.; Van de Wiel, Marco J.; Biron, Pascale M.

2017-10-01

Meandering river channels are often associated with cohesive banks. Yet only a few river modelling packages include geotechnical and plant effects. Existing packages are solely compatible with single-threaded channels, require a specific mesh structure, derive lateral migration rates from hydraulic properties, determine stability based on friction angle, rely on nonphysical assumptions to describe cutoffs, or exclude floodplain processes and vegetation. In this paper, we evaluate the accuracy of a new geotechnical module that was developed and coupled with Telemac-Mascaret to address these limitations. Innovatively, the newly developed module relies on a fully configurable, universal genetic algorithm with tournament selection that permits it (1) to assess geotechnical stability along potentially unstable slope profiles intersecting liquid-solid boundaries, and (2) to predict the shape and extent of slump blocks while considering mechanical plant effects, bank hydrology, and the hydrostatic pressure caused by flow. The profiles of unstable banks are altered while ensuring mass conservation. Importantly, the new stability module is independent of mesh structure and can operate efficiently along multithreaded channels, cutoffs, and islands. Data collected along a 1.5-km-long reach of the semialluvial Medway Creek, Canada, over a period of 3.5 years are used to evaluate the capacity of the coupled model to accurately predict bank retreat in meandering river channels and to evaluate the extent to which the new model can be applied to a natural river reach located in a complex environment. Our results indicate that key geotechnical parameters can indeed be adjusted to fit observations, even with a minimal calibration effort, and that the model correctly identifies the location of the most severely eroded bank regions. The combined use of genetic and spatial analysis algorithms, in particular for the evaluation of geotechnical stability independently of the hydrodynamic mesh, permits the consideration of biophysical conditions for an extended river reach with complex bank geometries, with only a minor increase in run time. Further improvements with respect to plant representation could assist scientists in better understanding channel-floodplain interactions and in evaluating channel designs in river management projects.

Flight test evaluation of predicted light aircraft drag, performance, and stability

NASA Technical Reports Server (NTRS)

Smetana, F. O.; Fox, S. R.

1979-01-01

A technique was developed which permits simultaneous extraction of complete lift, drag, and thrust power curves from time histories of a single aircraft maneuver such as a pullup (from V sub max to V sub stall) and pushover (to sub V max for level flight.) The technique is an extension to non-linear equations of motion of the parameter identification methods of lliff and Taylor and includes provisions for internal data compatibility improvement as well. The technique was show to be capable of correcting random errors in the most sensitive data channel and yielding highly accurate results. This technique was applied to flight data taken on the ATLIT aircraft. The drag and power values obtained from the initial least squares estimate are about 15% less than the 'true' values. If one takes into account the rather dirty wing and fuselage existing at the time of the tests, however, the predictions are reasonably accurate. The steady state lift measurements agree well with the extracted values only for small values of alpha. The predicted value of the lift at alpha = 0 is about 33% below that found in steady state tests while the predicted lift slope is 13% below the steady state value.

Thirty-Year Stability and Predictive Validity of Vocational Interests

ERIC Educational Resources Information Center

Rottinghaus, Patrick J.; Coon, Kristin L.; Gaffey, Abigail R.; Zytowski, Donald G.

2007-01-01

This study reports a 30-year follow-up of 107 former high school juniors and seniors from a rural Midwestern community who completed the Kuder Occupational Interest Survey (KOIS) in 1975 and 2005. Absolute, intra-individual, and test-retest stability of interests, and predictive validity of occupations were examined. Results showed minor absolute…

The Role of Three-Dimensional Boundary Stresses in Limiting the Occurrence and Size of Experimental Landslides

NASA Astrophysics Data System (ADS)

Prancevic, Jeffrey P.; Lamb, Michael P.; Palucis, Marisa C.; Venditti, Jeremy G.

2018-01-01

The occurrence of seepage-induced shallow landslides on hillslopes and steep channel beds is important for landscape evolution and natural hazards. Infinite-slope stability models have been applied for seven decades, but sediment beds generally require higher water saturation levels than predicted for failure, and controlled experiments are needed to test models. We initiated 90 landslides in a 5 m long laboratory flume with a range in sediment sizes (D = 0.7, 2, 5, and 15 mm) and hillslope angles (θ = 20° to 43°), resulting in subsurface flow that spanned the Darcian and turbulent regimes, and failures that occurred with subsaturated and supersaturated sediment beds. Near complete saturation was required for failure in most experiments, with water levels far greater than predicted by infinite-slope stability models. Although 3-D force balance models predict that larger landslides are less stable, observed downslope landslide lengths were typically only several decimeters, not the entire flume length. Boundary stresses associated with short landslides can explain the increased water levels required for failure, and we suggest that short failures are tied to heterogeneities in granular properties. Boundary stresses also limited landslide thicknesses, and landslides progressively thinned on lower gradient hillslopes until they were one grain diameter thick, corresponding to a change from near-saturated to supersaturated sediment beds. Thus, landslides are expected to be thick on steep hillslopes with large frictional stresses acting on the boundaries, whereas landslides should be thin on low-gradient hillslopes or in channel beds with a critical saturation level that is determined by sediment size.

Thin film instabilities: Rayleigh-Taylor with thermocapillarity and Kolmogorov flow in a soap film

NASA Astrophysics Data System (ADS)

Burgess, John Matthew

The Rayleigh-Taylor instability occurs when a more dense fluid layer is suspended above a less dense fluid layer in a gravitational field. The horizontal interface between the two fluids is unstable to infinitesimal deformations and the dense fluid falls. To counteract the destabilizing effects of gravity on the interface between two thin fluid layers, we apply a vertical temperature gradient, heating from below. The dependence of surface tension on temperature (``thermocapillarity'') can cause spatially-varying interfacial forces between two immiscible fluid layers if a variation in temperature along the interface is introduced. With an applied vertical temperature gradient, the deforming interface spontaneously develops temperature variations which locally adjust the surface tension to restore a flat interface. We find that these surface tension gradients can stabilize a more dense thin fluid layer (silicone oil, 0.015 cm thick) above a less dense thin fluid layer (air, 0.025 cm thick) in a gravitational field, in qualitative agreement with linear stability analysis. This is the first experimental observation of the stabilization of Rayleigh-Taylor instability by thermocapillary forces. We also examine the instability of a soap film flow driven by a time-independent force that is spatially periodic in the direction perpendicular to the forcing (Kolmogorov flow). The film is in the x- y plane, where the forcing approximates a shape sin (y)x̂. Linear stability analysis of an idealized model of this flow predicts a critical Reynolds number Rc~2 . In our soap film experiment, we find a critical value Rc~70 . This discrepancy can be ascribed to frictional effects from viscous coupling of gas to the film, which is neglected in the idealized model. The kinematic viscosity of the surrounding gas and the thickness of gas layers on each side of the soap film are varied in the experiments to better understand these frictional effects. We conclude that flows in soap films cannot be decoupled from flows in the surrounding gas.

Evaluation of microwave oven heating for prediction of drug-excipient compatibilities and accelerated stability studies.

PubMed

Schou-Pedersen, Anne Marie V; Østergaard, Jesper; Cornett, Claus; Hansen, Steen Honoré

2015-05-15

Microwave ovens have been used extensively in organic synthesis in order to accelerate reaction rates. Here, a set up comprising a microwave oven combined with silicon carbide (SiC) plates for the controlled microwave heating of model formulations has been applied in order to investigate, if a microwave oven is applicable for accelerated drug stability testing. Chemical interactions were investigated in three selected model formulations of drug and excipients regarding the formation of ester and amide reaction products. In the accelerated stability studies, a design of experiments (DoE) approach was applied in order to be able to rank excipients regarding reactivity: Study A: cetirizine with PEG 400, sorbitol, glycerol and propylene glycol. Study B: 6-aminocaproic acid with citrate, acetate, tartrate and gluconate. Study C: atenolol with citric, tartaric, malic, glutaric, and sorbic acid. The model formulations were representative for oral solutions (co-solvents), parenteral solutions (buffer species) and solid dosage forms (organic acids applicable for solubility enhancement). The DoE studies showed overall that the same impurities were generated by microwave oven heating leading to temperatures between 150°C and 180°C as compared to accelerated stability studies performed at 40°C and 80°C using a conventional oven. Ranking of the reactivity of the excipients could be made in the DoE studies performed at 150-180°C, which was representative for the ranking obtained after storage at 40°C and 80°C. It was possible to reduce the time needed for drug-excipient compatibility testing of the three model formulations from weeks to less than an hour in the three case studies. The microwave oven is therefore considered to be an interesting alternative to conventional thermal techniques for the investigation of drug-excipient interactions during preformulation. Copyright © 2015 Elsevier B.V. All rights reserved.

Optimization of rotamers prior to template minimization improves stability predictions made by computational protein design.

PubMed

Davey, James A; Chica, Roberto A

2015-04-01

Computational protein design (CPD) predictions are highly dependent on the structure of the input template used. However, it is unclear how small differences in template geometry translate to large differences in stability prediction accuracy. Herein, we explored how structural changes to the input template affect the outcome of stability predictions by CPD. To do this, we prepared alternate templates by Rotamer Optimization followed by energy Minimization (ROM) and used them to recapitulate the stability of 84 protein G domain β1 mutant sequences. In the ROM process, side-chain rotamers for wild-type (WT) or mutant sequences are optimized on crystal or nuclear magnetic resonance (NMR) structures prior to template minimization, resulting in alternate structures termed ROM templates. We show that use of ROM templates prepared from sequences known to be stable results predominantly in improved prediction accuracy compared to using the minimized crystal or NMR structures. Conversely, ROM templates prepared from sequences that are less stable than the WT reduce prediction accuracy by increasing the number of false positives. These observed changes in prediction outcomes are attributed to differences in side-chain contacts made by rotamers in ROM templates. Finally, we show that ROM templates prepared from sequences that are unfolded or that adopt a nonnative fold result in the selective enrichment of sequences that are also unfolded or that adopt a nonnative fold, respectively. Our results demonstrate the existence of a rotamer bias caused by the input template that can be harnessed to skew predictions toward sequences displaying desired characteristics. © 2014 The Protein Society.

Time Prediction Models for Echinococcosis Based on Gray System Theory and Epidemic Dynamics

PubMed Central

Zhang, Liping; Wang, Li; Zheng, Yanling; Wang, Kai; Zhang, Xueliang; Zheng, Yujian

2017-01-01

Echinococcosis, which can seriously harm human health and animal husbandry production, has become an endemic in the Xinjiang Uygur Autonomous Region of China. In order to explore an effective human Echinococcosis forecasting model in Xinjiang, three grey models, namely, the traditional grey GM(1,1) model, the Grey-Periodic Extensional Combinatorial Model (PECGM(1,1)), and the Modified Grey Model using Fourier Series (FGM(1,1)), in addition to a multiplicative seasonal ARIMA(1,0,1)(1,1,0)4 model, are applied in this study for short-term predictions. The accuracy of the different grey models is also investigated. The simulation results show that the FGM(1,1) model has a higher performance ability, not only for model fitting, but also for forecasting. Furthermore, considering the stability and the modeling precision in the long run, a dynamic epidemic prediction model based on the transmission mechanism of Echinococcosis is also established for long-term predictions. Results demonstrate that the dynamic epidemic prediction model is capable of identifying the future tendency. The number of human Echinococcosis cases will increase steadily over the next 25 years, reaching a peak of about 1250 cases, before eventually witnessing a slow decline, until it finally ends. PMID:28273856

QSAR classification models for the prediction of endocrine disrupting activity of brominated flame retardants.

PubMed

Kovarich, Simona; Papa, Ester; Gramatica, Paola

2011-06-15

The identification of potential endocrine disrupting (ED) chemicals is an important task for the scientific community due to their diffusion in the environment; the production and use of such compounds will be strictly regulated through the authorization process of the REACH regulation. To overcome the problem of insufficient experimental data, the quantitative structure-activity relationship (QSAR) approach is applied to predict the ED activity of new chemicals. In the present study QSAR classification models are developed, according to the OECD principles, to predict the ED potency for a class of emerging ubiquitary pollutants, viz. brominated flame retardants (BFRs). Different endpoints related to ED activity (i.e. aryl hydrocarbon receptor agonism and antagonism, estrogen receptor agonism and antagonism, androgen and progesterone receptor antagonism, T4-TTR competition, E2SULT inhibition) are modeled using the k-NN classification method. The best models are selected by maximizing the sensitivity and external predictive ability. We propose simple QSARs (based on few descriptors) characterized by internal stability, good predictive power and with a verified applicability domain. These models are simple tools that are applicable to screen BFRs in relation to their ED activity, and also to design safer alternatives, in agreement with the requirements of REACH regulation at the authorization step. Copyright © 2011 Elsevier B.V. All rights reserved.

Increasing Plasma Parameters using Sheared Flow Stabilization of a Z-Pinch

NASA Astrophysics Data System (ADS)

Shumlak, Uri

2016-10-01

Recent experiments on the ZaP Flow Z-Pinch at the University of Washington have been successful in compressing the plasma column to smaller radii, producing the predicted increases in plasma density (1018 cm-3), temperature (200 eV), and magnetic fields (4 T), while maintaining plasma stability for many Alfven times (over 40 μs) using sheared plasma flows. These results indicate the suitability of the device as a discovery science platform for astrophysical and high energy density plasma research, and keeps open a possible path to achieving burning plasma conditions in a compact fusion device. Long-lived Z-pinch plasmas have been produced with dimensions of 1 cm radius and 100 cm long that are stabilized by sheared axial flows for over 1000 Alfven radial transit times. The observed plasma stability is coincident with the presence of a sheared flow as measured by time-resolved multi-chord ion Doppler spectroscopy applied to impurity ion radiation. These measurements yield insights into the evolution of the velocity profile and show that the stabilizing behavior of flow shear agrees with theoretical calculations and 2-D MHD computational simulations. The flow shear value, extent, and duration are shown to be consistent with theoretical models of the plasma viscosity, which places a design constraint on the maximum axial length of a sheared flow stabilized Z-pinch. Measurements of the magnetic field topology indicate simultaneous azimuthal symmetry and axial uniformity along the entire 100 cm length of the Z-pinch plasma. Separate control of plasma acceleration and compression have increased the accessible plasma parameters and have generated stable plasmas with radii below 0.5 cm, as measured with a high resolution digital holographic interferometer. This work was supported by Grants from U.S. DOE, NNSA, and ARPA-E.

Reliable and accurate point-based prediction of cumulative infiltration using soil readily available characteristics: A comparison between GMDH, ANN, and MLR

NASA Astrophysics Data System (ADS)

Rahmati, Mehdi

2017-08-01

Developing accurate and reliable pedo-transfer functions (PTFs) to predict soil non-readily available characteristics is one of the most concerned topic in soil science and selecting more appropriate predictors is a crucial factor in PTFs' development. Group method of data handling (GMDH), which finds an approximate relationship between a set of input and output variables, not only provide an explicit procedure to select the most essential PTF input variables, but also results in more accurate and reliable estimates than other mostly applied methodologies. Therefore, the current research was aimed to apply GMDH in comparison with multivariate linear regression (MLR) and artificial neural network (ANN) to develop several PTFs to predict soil cumulative infiltration point-basely at specific time intervals (0.5-45 min) using soil readily available characteristics (RACs). In this regard, soil infiltration curves as well as several soil RACs including soil primary particles (clay (CC), silt (Si), and sand (Sa)), saturated hydraulic conductivity (Ks), bulk (Db) and particle (Dp) densities, organic carbon (OC), wet-aggregate stability (WAS), electrical conductivity (EC), and soil antecedent (θi) and field saturated (θfs) water contents were measured at 134 different points in Lighvan watershed, northwest of Iran. Then, applying GMDH, MLR, and ANN methodologies, several PTFs have been developed to predict cumulative infiltrations using two sets of selected soil RACs including and excluding Ks. According to the test data, results showed that developed PTFs by GMDH and MLR procedures using all soil RACs including Ks resulted in more accurate (with E values of 0.673-0.963) and reliable (with CV values lower than 11 percent) predictions of cumulative infiltrations at different specific time steps. In contrast, ANN procedure had lower accuracy (with E values of 0.356-0.890) and reliability (with CV values up to 50 percent) compared to GMDH and MLR. The results also revealed that Ks exclusion from input variables list caused around 30 percent decrease in PTFs accuracy for all applied procedures. However, it seems that Ks exclusion resulted in more practical PTFs especially in the case of GMDH network applying input variables which are less time consuming than Ks. In general, it is concluded that GMDH provides more accurate and reliable estimates of cumulative infiltration (a non-readily available characteristic of soil) with a minimum set of input variables (2-4 input variables) and can be promising strategy to model soil infiltration combining the advantages of ANN and MLR methodologies.

Analysis and test evaluation of the dynamic response and stability of three advanced turboprop models

NASA Technical Reports Server (NTRS)

Bansal, P. N.; Arseneaux, P. J.; Smith, A. F.; Turnberg, J. E.; Brooks, B. M.

1985-01-01

Results of dynamic response and stability wind tunnel tests of three 62.2 cm (24.5 in) diameter models of the Prop-Fan, advanced turboprop, are presented. Measurements of dynamic response were made with the rotors mounted on an isolated nacelle, with varying tilt for nonuniform inflow. One model was also tested using a semi-span wing and fuselage configuration for response to realistic aircraft inflow. Stability tests were performed using tunnel turbulence or a nitrogen jet for excitation. Measurements are compared with predictions made using beam analysis methods for the model with straight blades, and finite element analysis methods for the models with swept blades. Correlations between measured and predicted rotating blade natural frequencies for all the models are very good. The IP dynamic response of the straight blade model is reasonably well predicted. The IP response of the swept blades is underpredicted and the wing induced response of the straight blade is overpredicted. Two models did not flutter, as predicted. One swept blade model encountered an instability at a higher RPM than predicted, showing predictions to be conservative.

A Machine Learns to Predict the Stability of Tightly Packed Planetary Systems

NASA Astrophysics Data System (ADS)

Tamayo, Daniel; Silburt, Ari; Valencia, Diana; Menou, Kristen; Ali-Dib, Mohamad; Petrovich, Cristobal; Huang, Chelsea X.; Rein, Hanno; van Laerhoven, Christa; Paradise, Adiv; Obertas, Alysa; Murray, Norman

2016-12-01

The requirement that planetary systems be dynamically stable is often used to vet new discoveries or set limits on unconstrained masses or orbital elements. This is typically carried out via computationally expensive N-body simulations. We show that characterizing the complicated and multi-dimensional stability boundary of tightly packed systems is amenable to machine-learning methods. We find that training an XGBoost machine-learning algorithm on physically motivated features yields an accurate classifier of stability in packed systems. On the stability timescale investigated (107 orbits), it is three orders of magnitude faster than direct N-body simulations. Optimized machine-learning classifiers for dynamical stability may thus prove useful across the discipline, e.g., to characterize the exoplanet sample discovered by the upcoming Transiting Exoplanet Survey Satellite. This proof of concept motivates investing computational resources to train algorithms capable of predicting stability over longer timescales and over broader regions of phase space.

Vortex-antivortex phenomena in superconductors with antidot arrays

NASA Astrophysics Data System (ADS)

Berdiyorov, Golibjon; Milosevic, Milorad; Geurts, Roeland; Peeters, Francois

2007-03-01

We investigated in detail the vortex configurations in superconducting films with regular antidot-arrays within the non-linear Ginzburg-Landau theory, where demagnetization effects and overlapping vortex cores are fully taken into account (contrary to the London approach). In addition to the well-known matching phenomena, we predict: (i) the nucleation of giant-vortex states at interstitial sites; (ii) the combination of giant- and multi-vortices at rational matching fields; and (iii) for particular interstitial vorticity, the symmetry imposed creation of vortex-antivortex configurations. As a consequence of (iii), we predict resistance maxima at particular matching fields, opposite to the expected minima due to commensurability effects. Using the same principle, we stabilized vortex-antivortex molecules in finite submicron superconducting polygons by strategically placed nanoholes. Compared to earlier predictions, we enhanced the stamina of the antivortex with respect to temperature, applied fields and geometrical defects in the sample. Further, increased vortex-antivortex spacing and pronounced amplitudes of the local magnetic field in our system make these fascinating structures observable by e.g. Scanning Tunneling or Hall probe microscopy.

Prediction of protein tertiary structure to low resolution: performance for a large and structurally diverse test set.

PubMed

Eyrich, V A; Standley, D M; Friesner, R A

1999-05-14

We report the tertiary structure predictions for 95 proteins ranging in size from 17 to 160 residues starting from known secondary structure. Predictions are obtained from global minimization of an empirical potential function followed by the application of a refined atomic overlap potential. The minimization strategy employed represents a variant of the Monte Carlo plus minimization scheme of Li and Scheraga applied to a reduced model of the protein chain. For all of the cases except beta-proteins larger than 75 residues, a native-like structure, usually 4-6 A root-mean-square deviation from the native, is located. For beta-proteins larger than 75 residues, the energy gap between native-like structures and the lowest energy structures produced in the simulation is large, so that low RMSD structures are not generated starting from an unfolded state. This is attributed to the lack of an explicit hydrogen bond term in the potential function, which we hypothesize is necessary to stabilize large assemblies of beta-strands. Copyright 1999 Academic Press.

Evaluating Predictive Models of Software Quality

NASA Astrophysics Data System (ADS)

Ciaschini, V.; Canaparo, M.; Ronchieri, E.; Salomoni, D.

2014-06-01

Applications from High Energy Physics scientific community are constantly growing and implemented by a large number of developers. This implies a strong churn on the code and an associated risk of faults, which is unavoidable as long as the software undergoes active evolution. However, the necessities of production systems run counter to this. Stability and predictability are of paramount importance; in addition, a short turn-around time for the defect discovery-correction-deployment cycle is required. A way to reconcile these opposite foci is to use a software quality model to obtain an approximation of the risk before releasing a program to only deliver software with a risk lower than an agreed threshold. In this article we evaluated two quality predictive models to identify the operational risk and the quality of some software products. We applied these models to the development history of several EMI packages with intent to discover the risk factor of each product and compare it with its real history. We attempted to determine if the models reasonably maps reality for the applications under evaluation, and finally we concluded suggesting directions for further studies.

Measuring self-esteem in context: the importance of stability of self-esteem in psychological functioning.

PubMed

Kernis, Michael H

2005-12-01

In this article, I report on a research program that has focused on the joint roles of stability and level of self-esteem in various aspects of psychological functioning. Stability of self-esteem refers to the magnitude of short-term fluctuations that people experience in their current, contextually based feelings of self-worth. In contrast, level of self-esteem refers to representations of people's general, or typical, feelings of self-worth. A considerable amount of research reveals that self-esteem stability has predictive value beyond the predictive value of self-esteem level. Moreover, considering self-esteem stability provides one way to distinguish fragile from secure forms of high self-esteem. Results from a number of studies are presented and theoretical implications are discussed.

Thermodynamic stability of RNA structures formed by CNG trinucleotide repeats. Implication for prediction of RNA structure.

PubMed

Broda, Magdalena; Kierzek, Elzbieta; Gdaniec, Zofia; Kulinski, Tadeusz; Kierzek, Ryszard

2005-08-16

Trinucleotide repeat expansion diseases (TREDs) are correlated with elongation of CNG DNA and RNA repeats to pathological level. This paper shows, for the first time, complete data concerning thermodynamic stabilities of RNA with CNG trinucleotide repeats. Our studies include the stability of oligoribonucleotides composed of two to seven of CAG, CCG, CGG, and CUG repeats. The thermodynamic parameters of helix propagation correlated with the presence of multiple N-N mismatches within CNG RNA duplexes were also determined. Moreover, the total stability of CNG RNA hairpins, as well as the contribution of trinucleotide repeats placed only in the stem or loop regions, was evaluated. The improved thermodynamic parameters allow to predict much more accurately the thermodynamic stabilities and structures of CNG RNAs.

Deep convolutional neural networks for pan-specific peptide-MHC class I binding prediction.

PubMed

Han, Youngmahn; Kim, Dongsup

2017-12-28

Computational scanning of peptide candidates that bind to a specific major histocompatibility complex (MHC) can speed up the peptide-based vaccine development process and therefore various methods are being actively developed. Recently, machine-learning-based methods have generated successful results by training large amounts of experimental data. However, many machine learning-based methods are generally less sensitive in recognizing locally-clustered interactions, which can synergistically stabilize peptide binding. Deep convolutional neural network (DCNN) is a deep learning method inspired by visual recognition process of animal brain and it is known to be able to capture meaningful local patterns from 2D images. Once the peptide-MHC interactions can be encoded into image-like array(ILA) data, DCNN can be employed to build a predictive model for peptide-MHC binding prediction. In this study, we demonstrated that DCNN is able to not only reliably predict peptide-MHC binding, but also sensitively detect locally-clustered interactions. Nonapeptide-HLA-A and -B binding data were encoded into ILA data. A DCNN, as a pan-specific prediction model, was trained on the ILA data. The DCNN showed higher performance than other prediction tools for the latest benchmark datasets, which consist of 43 datasets for 15 HLA-A alleles and 25 datasets for 10 HLA-B alleles. In particular, the DCNN outperformed other tools for alleles belonging to the HLA-A3 supertype. The F1 scores of the DCNN were 0.86, 0.94, and 0.67 for HLA-A*31:01, HLA-A*03:01, and HLA-A*68:01 alleles, respectively, which were significantly higher than those of other tools. We found that the DCNN was able to recognize locally-clustered interactions that could synergistically stabilize peptide binding. We developed ConvMHC, a web server to provide user-friendly web interfaces for peptide-MHC class I binding predictions using the DCNN. ConvMHC web server can be accessible via http://jumong.kaist.ac.kr:8080/convmhc . We developed a novel method for peptide-HLA-I binding predictions using DCNN trained on ILA data that encode peptide binding data and demonstrated the reliable performance of the DCNN in nonapeptide binding predictions through the independent evaluation on the latest IEDB benchmark datasets. Our approaches can be applied to characterize locally-clustered patterns in molecular interactions, such as protein/DNA, protein/RNA, and drug/protein interactions.

Transitioning to adolescence: how changes in child personality and overreactive parenting predict adolescent adjustment problems.

PubMed

van den Akker, Alithe L; Deković, Maja; Prinzie, Peter

2010-01-01

The present study examined how changes in child Big Five personality characteristics and overreactive parenting during the transition from childhood to adolescence predict adolescent adjustment problems. The sample included 290 children, aged 8-9 years. At three moments, with 2-year intervals, mothers, fathers, and a teacher reported on the child's personality, and mothers and fathers reported on their parenting behavior. At the third measurement moment, mothers, fathers, and children reported on the child's adjustment problems. Rank-order stability of the personality dimensions and overreactive parenting were high. Univariate latent growth models revealed mean-level decreases for extraversion, conscientiousness, and imagination. Mean levels of benevolence, emotional stability, and overreactive parenting were stable. Multivariate latent growth models revealed that decreases in extraversion and emotional stability predicted internalizing problems, whereas decreases in benevolence, conscientiousness, and emotional stability predicted externalizing problems. Increases in overreactive parenting predicted externalizing, but not internalizing problems. The associations were similar for boys and girls. The results indicate that changes in child personality and overreactive parenting during the transition to adolescence are associated with adolescent adjustment problems. Overall, child personality was more important than overreactive parenting, and children were more likely to "act out" than to "withdraw" in reaction to overreactive parenting.

Real-time flutter boundary prediction based on time series models

NASA Astrophysics Data System (ADS)

Gu, Wenjing; Zhou, Li

2018-03-01

For the purpose of predicting the flutter boundary in real time during flutter flight tests, two time series models accompanied with corresponding stability criterion are adopted in this paper. The first method simplifies a long nonstationary response signal as many contiguous intervals and each is considered to be stationary. The traditional AR model is then established to represent each interval of signal sequence. While the second employs a time-varying AR model to characterize actual measured signals in flutter test with progression variable speed (FTPVS). To predict the flutter boundary, stability parameters are formulated by the identified AR coefficients combined with Jury's stability criterion. The behavior of the parameters is examined using both simulated and wind-tunnel experiment data. The results demonstrate that both methods show significant effectiveness in predicting the flutter boundary at lower speed level. A comparison between the two methods is also given in this paper.

Shortening a loop can increase protein native state entropy.

PubMed

Gavrilov, Yulian; Dagan, Shlomi; Levy, Yaakov

2015-12-01

Protein loops are essential structural elements that influence not only function but also protein stability and folding rates. It was recently reported that shortening a loop in the AcP protein may increase its native state conformational entropy. This effect on the entropy of the folded state can be much larger than the lower entropic penalty of ordering a shorter loop upon folding, and can therefore result in a more pronounced stabilization than predicted by polymer model for loop closure entropy. In this study, which aims at generalizing the effect of loop length shortening on native state dynamics, we use all-atom molecular dynamics simulations to study how gradual shortening a very long or solvent-exposed loop region in four different proteins can affect their stability. For two proteins, AcP and Ubc7, we show an increase in native state entropy in addition to the known effect of the loop length on the unfolded state entropy. However, for two permutants of SH3 domain, shortening a loop results only with the expected change in the entropy of the unfolded state, which nicely reproduces the observed experimental stabilization. Here, we show that an increase in the native state entropy following loop shortening is not unique to the AcP protein, yet nor is it a general rule that applies to all proteins following the truncation of any loop. This modification of the loop length on the folded state and on the unfolded state may result with a greater effect on protein stability. © 2015 Wiley Periodicals, Inc.

An isolated SNM model for high-stability multi-port register file in 65 nm CMOS

NASA Astrophysics Data System (ADS)

Zhang, Yuejun; Wang, Pengjun; Li, Gang

2017-09-01

In modern microprocessors, the multi-port register file is one of the key modules which provides fast and multiple data access for instructions. As the number of access ports in register files increases, stability becomes a key issue due to the voltage fluctuation on bit lines. We propose to apply an isolated inverter to address the voltage fluctuation. To assess the register stability, we derive a closed-form expression of static noise margin (SNM) for our register file. The proposed SNM model can be used as a guideline to predict the impact of several register parameters on the stability and optimize register file designs. To validate the proposed SNM model, we fabricated a test chip of two-write-four-read (2W4R) 1024 bits register file in a TSMC 65 nm low-power CMOS technology. The experimental result shows that the stability of our register file cells with an isolated inverter improve the conventional cells by approximately 2.4 times. Also, the supply voltage causes a fluctuation of SNM of about 65%, while temperature and transistor mismatch cause a fluctuation of SNM of about 20%. Project supported by the National Natural Science Foundation of China (Nos, 61404076, 61474068), the Zhejiang Provincial Natural Science Foundation of China (No. LQ14F040001), the S&T Plan of Zhejiang Provincial Science and Technology Department (No. 2015C31010), the China Spark Program (No. 2015GA701053), the Ningbo Natural Science Foundation (Nos. 2014A610148, 2015A610107), and the K. C. Wong Magna Fund in Ningbo University, China.

Primary stability of a cementless acetabular cup in a cohort of patient-specific finite element models.

PubMed

O'Rourke, Dermot; Al-Dirini, Rami Ma; Taylor, Mark

2018-03-01

The primary stability achieved during total hip arthroplasty determines the long-term success of cementless acetabular cups. Pre-clinical finite element testing of cups typically use a model of a single patient and assume the results can be extrapolated to the general population. This study explored the variability in predicted primary stability of a Pinnacle ® cementless acetabular cup in 103 patient-specific finite element models of the hemipelvis and examined the association between patient-related factors and the observed variability. Cups were inserted by displacement-control into the FE models and then a loading configuration simulating a complete level gait cycle was applied. The cohort showed a range of polar gap of 284-1112 μm and 95th percentile composite peak micromotion (CPM) of 18-624 μm. Regression analysis was not conclusive on the relationship between patient-related factors and primary stability. No relationship was found between polar gap and micromotion. However, when the patient-related factors were categorised into quartile groups, trends suggested higher polar gaps occurred in subjects with small and shallow acetabular geometries and cup motion during gait was affected most by low elastic modulus and high bodyweight. The variation in primary stability in the cohort for an acetabular cup with a proven clinical track record may provide benchmark data when evaluating new cup designs. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 36:1012-1023, 2018. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

Rotordynamic Instability Problems in High-Performance Turbomachinery

NASA Technical Reports Server (NTRS)

1984-01-01

Rotordynamics and predictions on the stability of characteristics of high performance turbomachinery were discussed. Resolutions of problems on experimental validation of the forces that influence rotordynamics were emphasized. The programs to predict or measure forces and force coefficients in high-performance turbomachinery are illustrated. Data to design new machines with enhanced stability characteristics or upgrading existing machines are presented.

Flight-determined aerodynamic derivatives of the AD-1 oblique-wing research airplane

NASA Technical Reports Server (NTRS)

Sim, A. G.; Curry, R. E.

1984-01-01

The AD-1 is a variable-sweep oblique-wing research airplane that exhibits unconventional stability and control characteristics. In this report, flight-determined and predicted stability and control derivatives for the AD-1 airplane are compared. The predictions are based on both wind tunnel and computational results. A final best estimate of derivatives is presented.

Implementation of model predictive control for resistive wall mode stabilization on EXTRAP T2R

NASA Astrophysics Data System (ADS)

Setiadi, A. C.; Brunsell, P. R.; Frassinetti, L.

2015-10-01

A model predictive control (MPC) method for stabilization of the resistive wall mode (RWM) in the EXTRAP T2R reversed-field pinch is presented. The system identification technique is used to obtain a linearized empirical model of EXTRAP T2R. MPC employs the model for prediction and computes optimal control inputs that satisfy performance criterion. The use of a linearized form of the model allows for compact formulation of MPC, implemented on a millisecond timescale, that can be used for real-time control. The design allows the user to arbitrarily suppress any selected Fourier mode. The experimental results from EXTRAP T2R show that the designed and implemented MPC successfully stabilizes the RWM.

Diabetes may affect intracranial aneurysm stabilization in older patients: Analysis based on intraoperative findings

PubMed Central

Song, Jihye; Shin, Yong Sam

2016-01-01

Background: Only a small proportion of aneurysms progress to rupture. Previous studies have focused on predicting the rupture risk of intracranial aneurysms. Atherosclerotic aneurysm wall appears resistant to rupture. The purpose of this study was to evaluate clinical and morphological factors affecting atherosclerosis of an aneurysm and identify the parameters that predict aneurysm stabilization. Methods: We conducted a retrospective analysis of 253 consecutive patients with 291 unruptured aneurysms who underwent clipping surgery in a single institution between January 2012 and October 2013. Aneurysms were categorized based on intraoperative video findings and assessed morphologic and demographic data. Aneurysms which had the atherosclerotic wall without any super thin and transparent portion were defined as stabilized group and the others as a not-stabilized group. Results: Of the 207 aneurysms, 176 (85.0%) were assigned to the not-stabilized group and 31 (15.0%) to the stabilized group. The relative proportion of stabilized aneurysms increased significantly as the age increased (P < 0.001). Univariate logistic analysis showed that age ≥65 years (P < 0.001), hypertension (P = 0.012), diabetes (P = 0.007), and height ≥3 mm (P = 0.007) were correlated with stabilized aneurysms. Multivariate logistic analysis showed that age ≥65 years (P = 0.009) and hypertension (P = 0.041) were strongly correlated with stable aneurysms. In older patients (≥65 years of age), multivariate logistic regression revealed that only diabetes was associated with stabilized aneurysms (P = 0.027). Conclusions: In patients ≥65 years of age, diabetes mellitus may highly predict the stabilized aneurysms. These results provide useful information in determining treatment and follow-up strategies, especially in older patients. PMID:27313965

Insert Tidal Here: Finding Stability of Galilean Satellite Interiors

NASA Astrophysics Data System (ADS)

Walker, M.; Bills, B. G.; Mitchell, J.; Rhoden, A.

2017-12-01

The tidal environment is often hypothesized as a cause of surface expression in the satellites of the outer solar system. In two notable cases, Io's volcanism is thought to be driven by tidal heating of its mantle while the shattered surface of Europa's ice shell is said to be generated by tidal stresses in that ice. Being adjacent moons of Jupiter, these satellites give us a unique opportunity to apply a single set of general coupled models at each body to predict how one model can predict the heat generation and flow, strain and stress states, and structural parameters for each body. We include the effects of interior evolution into the tidal environment in addition to an evolving orbit. We find that the interiors of Io and Europa will evolve, as a consequence of the heat transfer from interior to surface, and stable structural and heat flow conditions are found. Then as their orbits evolve, perturbed by the mutual interactions of the Laplace mean motion resonance, those conditions of structural and heat stability also change. In particular, we find that at current orbital conditions there is sufficient heat to completely melt Io models for which a convecting interior is capped by a conducting lid. This argues for the presence of a non dissipating (or barely dissipating) core below the mantle, which future Io structure models should include. For the Europa model at current orbit, we use a silicate interior under an ocean capped by a two layer ice; convecting below with a conducting surface. We find stability in heat and structure occurs when the lower ice melts and recedes until the shell is roughly 50km thick. We present a variety of plausible structures for these bodies, and track how the stability of those structures trend as the orbit (in particular the orbital eccentricity, mean motion, and obliquity) change. We show how the Love numbers, layer thicknesses, surface heat flow, and orbital parameters are all linked. For Europa, upcoming measurements from Clipper should provide the necessary constraints to tune our model for the present day. This will also allow us to use today's initial conditions so that we can predict the history of the Galilean satellite's evolution as well as the changes we expect for their future.

Predicting helix–helix interactions from residue contacts in membrane proteins

PubMed Central

Lo, Allan; Chiu, Yi-Yuan; Rødland, Einar Andreas; Lyu, Ping-Chiang; Sung, Ting-Yi; Hsu, Wen-Lian

2009-01-01

Motivation: Helix–helix interactions play a critical role in the structure assembly, stability and function of membrane proteins. On the molecular level, the interactions are mediated by one or more residue contacts. Although previous studies focused on helix-packing patterns and sequence motifs, few of them developed methods specifically for contact prediction. Results: We present a new hierarchical framework for contact prediction, with an application in membrane proteins. The hierarchical scheme consists of two levels: in the first level, contact residues are predicted from the sequence and their pairing relationships are further predicted in the second level. Statistical analyses on contact propensities are combined with other sequence and structural information for training the support vector machine classifiers. Evaluated on 52 protein chains using leave-one-out cross validation (LOOCV) and an independent test set of 14 protein chains, the two-level approach consistently improves the conventional direct approach in prediction accuracy, with 80% reduction of input for prediction. Furthermore, the predicted contacts are then used to infer interactions between pairs of helices. When at least three predicted contacts are required for an inferred interaction, the accuracy, sensitivity and specificity are 56%, 40% and 89%, respectively. Our results demonstrate that a hierarchical framework can be applied to eliminate false positives (FP) while reducing computational complexity in predicting contacts. Together with the estimated contact propensities, this method can be used to gain insights into helix-packing in membrane proteins. Availability: http://bio-cluster.iis.sinica.edu.tw/TMhit/ Contact: tsung@iis.sinica.edu.tw Supplementary information:Supplementary data are available at Bioinformatics online. PMID:19244388

Synergies in the space of control variables within the equilibrium-point hypothesis.

PubMed

Ambike, S; Mattos, D; Zatsiorsky, V M; Latash, M L

2016-02-19

We use an approach rooted in the recent theory of synergies to analyze possible co-variation between two hypothetical control variables involved in finger force production based on the equilibrium-point (EP) hypothesis. These control variables are the referent coordinate (R) and apparent stiffness (C) of the finger. We tested a hypothesis that inter-trial co-variation in the {R; C} space during repeated, accurate force production trials stabilizes the fingertip force. This was expected to correspond to a relatively low amount of inter-trial variability affecting force and a high amount of variability keeping the force unchanged. We used the "inverse piano" apparatus to apply small and smooth positional perturbations to fingers during force production tasks. Across trials, R and C showed strong co-variation with the data points lying close to a hyperbolic curve. Hyperbolic regressions accounted for over 99% of the variance in the {R; C} space. Another analysis was conducted by randomizing the original {R; C} data sets and creating surrogate data sets that were then used to compute predicted force values. The surrogate sets always showed much higher force variance compared to the actual data, thus reinforcing the conclusion that finger force control was organized in the {R; C} space, as predicted by the EP hypothesis, and involved co-variation in that space stabilizing total force. Copyright © 2015 IBRO. Published by Elsevier Ltd. All rights reserved.

A quality by design approach to optimization of emulsions for electrospinning using factorial and D-optimal designs.

PubMed

Badawi, Mariam A; El-Khordagui, Labiba K

2014-07-16

Emulsion electrospinning is a multifactorial process used to generate nanofibers loaded with hydrophilic drugs or macromolecules for diverse biomedical applications. Emulsion electrospinnability is greatly impacted by the emulsion pharmaceutical attributes. The aim of this study was to apply a quality by design (QbD) approach based on design of experiments as a risk-based proactive approach to achieve predictable critical quality attributes (CQAs) in w/o emulsions for electrospinning. Polycaprolactone (PCL)-thickened w/o emulsions containing doxycycline HCl were formulated using a Span 60/sodium lauryl sulfate (SLS) emulsifier blend. The identified emulsion CQAs (stability, viscosity and conductivity) were linked with electrospinnability using a 3(3) factorial design to optimize emulsion composition for phase stability and a D-optimal design to optimize stable emulsions for viscosity and conductivity after shifting the design space. The three independent variables, emulsifier blend composition, organic:aqueous phase ratio and polymer concentration, had a significant effect (p<0.05) on emulsion CQAs, the emulsifier blend composition exerting prominent main and interaction effects. Scanning electron microscopy (SEM) of emulsion-electrospun NFs and desirability functions allowed modeling of emulsion CQAs to predict electrospinnable formulations. A QbD approach successfully built quality in electrospinnable emulsions, allowing development of hydrophilic drug-loaded nanofibers with desired morphological characteristics. Copyright © 2014 Elsevier B.V. All rights reserved.

Synergies in the space of control variables within the equilibrium-point hypothesis

PubMed Central

Ambike, Satyajit; Mattos, Daniela; Zatsiorsky, Vladimir M.; Latash, Mark L.

2015-01-01

We use an approach rooted in the recent theory of synergies to analyze possible co-variation between two hypothetical control variables involved in finger force production based in the equilibrium-point hypothesis. These control variables are the referent coordinate (R) and apparent stiffness (C) of the finger. We tested a hypothesis that inter-trial co-variation in the {R; C} space during repeated, accurate force production trials stabilizes the fingertip force. This was expected to correspond to a relatively low amount of inter-trial variability affecting force and a high amount of variability keeping the force unchanged. We used the “inverse piano” apparatus to apply small and smooth positional perturbations to fingers during force production tasks. Across trials, R and C showed strong co-variation with the data points lying close to a hyperbolic curve. Hyperbolic regressions accounted for over 99% of the variance in the {R; C} space. Another analysis was conducted by randomizing the original {R; C} data sets and creating surrogate data sets that were then used to compute predicted force values. The surrogate sets always showed much higher force variance compared to the actual data, thus reinforcing the conclusion that finger force control was organized in the {R; C} space, as predicted by the equilibrium-point hypothesis, and involved co-variation in that space stabilizing total force. PMID:26701299

"Squishy capacitor" model for electrical double layers and the stability of charged interfaces.

PubMed

Partenskii, Michael B; Jordan, Peter C

2009-07-01

Negative capacitance (NC), predicted by various electrical double layer (EDL) theories, is critically reviewed. Physically possible for individual components of the EDL, the compact or diffuse layer, it is strictly prohibited for the whole EDL or for an electrochemical cell with two electrodes. However, NC is allowed for the artificial conditions of sigma control, where an EDL is described by the equilibrium electric response of electrolyte to a field of fixed, and typically uniform, surface charge-density distributions, sigma. The contradiction is only apparent; in fact local sigma cannot be set independently, but is established by the equilibrium response to physically controllable variables, i.e., applied voltage phi (phi control) or total surface charge q (q control). NC predictions in studies based on sigma control signify potential instabilities and phase transitions for physically realizable conditions. Building on our previous study of phi control [M. B. Partenskii and P. C. Jordan, Phys. Rev. E 77, 061117 (2008)], here we analyze critical behavior under q control, clarifying the basic picture using an exactly solvable "squishy capacitor" toy model. We find that phi can change discontinuously in the presence of a lateral transition, specify stability conditions for an electrochemical cell, analyze the origin of the EDL's critical point in terms of compact and diffuse serial contributions, and discuss perspectives and challenges for theoretical studies not limited by sigma control.

Long-range empirical potential model: extension to hexagonal close-packed metals.

PubMed

Dai, Y; Li, J H; Liu, B X

2009-09-23

An n-body potential is developed and satisfactorily applied to hcp metals, Co, Hf, Mg, Re, Ti, and Zr, in the form of long-range empirical potential. The potential can well reproduce the lattice constants, c/a ratios, cohesive energies, and the bulk modulus for their stable structures (hcp) and metastable structures (bcc or fcc). Meanwhile, the potential can correctly predict the order of structural stability and distinguish the energy differences between their stable hcp structure and other structures. The energies and forces derived by the potential can smoothly go to zero at cutoff radius, thus completely avoiding the unphysical behaviors in the simulations. The developed potential is applied to study the vacancy, surface fault, stacking fault and self-interstitial atom in the hcp metals. The calculated formation energies of vacancy and divacancy and activation energies of self-diffusion by vacancies are in good agreement with the values in experiments and in other works. The calculated surface energies and stacking fault energies are also consistent with the experimental data and those obtained in other theoretical works. The calculated formation energies generally agree with the results in other works, although the stable configurations of self-interstitial atoms predicted in this work somewhat contrast with those predicted by other methods. The proposed potential is shown to be relevant for describing the interaction of bcc, fcc and hcp metal systems, bringing great convenience for researchers in constructing potentials for metal systems constituted by any combination of bcc, fcc and hcp metals.

Modeling the Soft Geometry of Biological Membranes

NASA Astrophysics Data System (ADS)

Daly, K.

This dissertation presents work done applying the techniques of physics to biological systems. The difference in length scales of the thickness of the phospolipid bilayer and overall size of a biological cell allows bilayer to be modeled elastically as a thin sheet. The Helfrich free energy is extended applied to models representing various biological systems, in order to find quasi-equilibrium states as well as transitions between states. Morphologies are approximated as axially sym-metric. Stable morphologies are de-termined analytically and through the use of computer simulation. The simple morphologies examined analytically give a model for the pearling transition seen in growing biological cells. An analytic model of celluar bulging in gram-negative bacteria predicts a critical pore radius for bulging of 20 nanometers. This model is extended to the membrane dynamics of human red blood cells, predicting three morphologic phases which are seen in vivo. A computer simulation was developed to study more complex morphologies with models representing different bilayer compositions. Single and multi-component bilayer models reproduce morphologies previously predicted by Seifert. A mean field model representing the intrinsic curvature of proteins coupling to membrane curvature is used to explore the stability of the particular morphology of rod outer segment cells. The process of pore formation and expansion in cell-cell fusion is not well understood. Simulation of the pore created in cell-cell fusion led to the finding of a minimal pore radius required for pore expansion, suggesting pores formed in nature are formed with a minimum size.

Model for the prediction of subsurface strata movement due to underground mining

NASA Astrophysics Data System (ADS)

Cheng, Jianwei; Liu, Fangyuan; Li, Siyuan

2017-12-01

The problem of ground control stability due to large underground mining operations is often associated with large movements and deformations of strata. It is a complicated problem, and can induce severe safety or environmental hazards either at the surface or in strata. Hence, knowing the subsurface strata movement characteristics, and making any subsidence predictions in advance, are desirable for mining engineers to estimate any damage likely to affect the ground surface or subsurface strata. Based on previous research findings, this paper broadly applies a surface subsidence prediction model based on the influence function method to subsurface strata, in order to predict subsurface stratum movement. A step-wise prediction model is proposed, to investigate the movement of underground strata. The model involves a dynamic iteration calculation process to derive the movements and deformations for each stratum layer; modifications to the influence method function are also made for more precise calculations. The critical subsidence parameters, incorporating stratum mechanical properties and the spatial relationship of interest at the mining level, are thoroughly considered, with the purpose of improving the reliability of input parameters. Such research efforts can be very helpful to mining engineers’ understanding of the moving behavior of all strata over underground excavations, and assist in making any damage mitigation plan. In order to check the reliability of the model, two methods are carried out and cross-validation applied. One is to use a borehole TV monitor recording to identify the progress of subsurface stratum bedding and caving in a coal mine, the other is to conduct physical modelling of the subsidence in underground strata. The results of these two methods are used to compare with theoretical results calculated by the proposed mathematical model. The testing results agree well with each other, and the acceptable accuracy and reliability of the proposed prediction model are thus validated.

Accelerating Vaccine Formulation Development Using Design of Experiment Stability Studies.

PubMed

Ahl, Patrick L; Mensch, Christopher; Hu, Binghua; Pixley, Heidi; Zhang, Lan; Dieter, Lance; Russell, Ryann; Smith, William J; Przysiecki, Craig; Kosinski, Mike; Blue, Jeffrey T

2016-10-01

Vaccine drug product thermal stability often depends on formulation input factors and how they interact. Scientific understanding and professional experience typically allows vaccine formulators to accurately predict the thermal stability output based on formulation input factors such as pH, ionic strength, and excipients. Thermal stability predictions, however, are not enough for regulators. Stability claims must be supported by experimental data. The Quality by Design approach of Design of Experiment (DoE) is well suited to describe formulation outputs such as thermal stability in terms of formulation input factors. A DoE approach particularly at elevated temperatures that induce accelerated degradation can provide empirical understanding of how vaccine formulation input factors and interactions affect vaccine stability output performance. This is possible even when clear scientific understanding of particular formulation stability mechanisms are lacking. A DoE approach was used in an accelerated 37(°)C stability study of an aluminum adjuvant Neisseria meningitidis serogroup B vaccine. Formulation stability differences were identified after only 15 days into the study. We believe this study demonstrates the power of combining DoE methodology with accelerated stress stability studies to accelerate and improve vaccine formulation development programs particularly during the preformulation stage. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Predictive Control of Networked Multiagent Systems via Cloud Computing.

PubMed

Liu, Guo-Ping

2017-01-18

This paper studies the design and analysis of networked multiagent predictive control systems via cloud computing. A cloud predictive control scheme for networked multiagent systems (NMASs) is proposed to achieve consensus and stability simultaneously and to compensate for network delays actively. The design of the cloud predictive controller for NMASs is detailed. The analysis of the cloud predictive control scheme gives the necessary and sufficient conditions of stability and consensus of closed-loop networked multiagent control systems. The proposed scheme is verified to characterize the dynamical behavior and control performance of NMASs through simulations. The outcome provides a foundation for the development of cooperative and coordinative control of NMASs and its applications.

Iodine-stabilized single-frequency green InGaN diode laser.

PubMed

Chen, Yi-Hsi; Lin, Wei-Chen; Shy, Jow-Tsong; Chui, Hsiang-Chen

2018-01-01

A 520-nm InGaN diode laser can emit a milliwatt-level, single-frequency laser beam when the applied current slightly exceeds the lasing threshold. The laser frequency was less sensitive to diode temperature and could be finely tuned by adjusting the applied current. Laser frequency was stabilized onto a hyperfine component in an iodine transition through the saturated absorption spectroscopy. The uncertainty of frequency stabilization was approximately 8×10 -9 at a 10-s integration time. This compact laser system can replace the conventional green diode-pumped solid-state laser and applied as a frequency reference. A single longitudinal mode operational region with diode temperature, current, and output power was investigated.

StaRProtein, A Web Server for Prediction of the Stability of Repeat Proteins

PubMed Central

Xu, Yongtao; Zhou, Xu; Huang, Meilan

2015-01-01

Repeat proteins have become increasingly important due to their capability to bind to almost any proteins and the potential as alternative therapy to monoclonal antibodies. In the past decade repeat proteins have been designed to mediate specific protein-protein interactions. The tetratricopeptide and ankyrin repeat proteins are two classes of helical repeat proteins that form different binding pockets to accommodate various partners. It is important to understand the factors that define folding and stability of repeat proteins in order to prioritize the most stable designed repeat proteins to further explore their potential binding affinities. Here we developed distance-dependant statistical potentials using two classes of alpha-helical repeat proteins, tetratricopeptide and ankyrin repeat proteins respectively, and evaluated their efficiency in predicting the stability of repeat proteins. We demonstrated that the repeat-specific statistical potentials based on these two classes of repeat proteins showed paramount accuracy compared with non-specific statistical potentials in: 1) discriminate correct vs. incorrect models 2) rank the stability of designed repeat proteins. In particular, the statistical scores correlate closely with the equilibrium unfolding free energies of repeat proteins and therefore would serve as a novel tool in quickly prioritizing the designed repeat proteins with high stability. StaRProtein web server was developed for predicting the stability of repeat proteins. PMID:25807112

Stability of the discretization of the electron avalanche phenomenon

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

Villa, Andrea, E-mail: andrea.villa@rse-web.it; Barbieri, Luca, E-mail: luca.barbieri@rse-web.it; Gondola, Marco, E-mail: marco.gondola@rse-web.it

2015-09-01

The numerical simulation of the discharge inception is an active field of applied physics with many industrial applications. In this work we focus on the drift-reaction equation that describes the electron avalanche. This phenomenon is one of the basic building blocks of the streamer model. The main difficulty of the electron avalanche equation lies in the fact that the reaction term is positive when a high electric field is applied. It leads to exponentially growing solutions and this has a major impact on the behavior of numerical schemes. We analyze the stability of a reference finite volume scheme applied tomore » this latter problem. The stability of the method may impose a strict mesh spacing, therefore a proper stabilized scheme, which is stable whatever spacing is used, has been developed. The convergence of the scheme is treated as well as some numerical experiments.« less

Predicting Mouse Liver Microsomal Stability with “Pruned” Machine Learning Models and Public Data

PubMed Central

Perryman, Alexander L.; Stratton, Thomas P.; Ekins, Sean; Freundlich, Joel S.

2015-01-01

Purpose Mouse efficacy studies are a critical hurdle to advance translational research of potential therapeutic compounds for many diseases. Although mouse liver microsomal (MLM) stability studies are not a perfect surrogate for in vivo studies of metabolic clearance, they are the initial model system used to assess metabolic stability. Consequently, we explored the development of machine learning models that can enhance the probability of identifying compounds possessing MLM stability. Methods Published assays on MLM half-life values were identified in PubChem, reformatted, and curated to create a training set with 894 unique small molecules. These data were used to construct machine learning models assessed with internal cross-validation, external tests with a published set of antitubercular compounds, and independent validation with an additional diverse set of 571 compounds (PubChem data on percent metabolism). Results “Pruning” out the moderately unstable/moderately stable compounds from the training set produced models with superior predictive power. Bayesian models displayed the best predictive power for identifying compounds with a half-life ≥1 hour. Conclusions Our results suggest the pruning strategy may be of general benefit to improve test set enrichment and provide machine learning models with enhanced predictive value for the MLM stability of small organic molecules. This study represents the most exhaustive study to date of using machine learning approaches with MLM data from public sources. PMID:26415647

Predicting Mouse Liver Microsomal Stability with "Pruned" Machine Learning Models and Public Data.

PubMed

Perryman, Alexander L; Stratton, Thomas P; Ekins, Sean; Freundlich, Joel S

2016-02-01

Mouse efficacy studies are a critical hurdle to advance translational research of potential therapeutic compounds for many diseases. Although mouse liver microsomal (MLM) stability studies are not a perfect surrogate for in vivo studies of metabolic clearance, they are the initial model system used to assess metabolic stability. Consequently, we explored the development of machine learning models that can enhance the probability of identifying compounds possessing MLM stability. Published assays on MLM half-life values were identified in PubChem, reformatted, and curated to create a training set with 894 unique small molecules. These data were used to construct machine learning models assessed with internal cross-validation, external tests with a published set of antitubercular compounds, and independent validation with an additional diverse set of 571 compounds (PubChem data on percent metabolism). "Pruning" out the moderately unstable / moderately stable compounds from the training set produced models with superior predictive power. Bayesian models displayed the best predictive power for identifying compounds with a half-life ≥1 h. Our results suggest the pruning strategy may be of general benefit to improve test set enrichment and provide machine learning models with enhanced predictive value for the MLM stability of small organic molecules. This study represents the most exhaustive study to date of using machine learning approaches with MLM data from public sources.

Moisture-induced phase separation and recrystallization in amorphous solid dispersions.

PubMed

Luebbert, Christian; Sadowski, Gabriele

2017-10-30

Active Pharmaceutical Ingredients (APIs) are often dissolved in polymeric matrices to control the gastrointestinal dissolution and to stabilize the amorphous state of the API. During the pharmaceutical development of new formulations, stability studies via storage at certain temperature and relative humidity (RH) have to be carried out to verify the long-term thermodynamic stability of these formulations against unwanted recrystallization and moisture-induced amorphous-amorphous phase separation (MIAPS). This study focuses on predicting the MIAPS of API/polymer formulations at elevated RH. In a first step, the phase behavior of water-free formulations of ibuprofen (IBU) and felodipine (FEL) combined with the polymers poly(vinyl pyrrolidone) (PVP), poly(vinyl acetate) (PVAC) and poly (vinyl pyrrolidone-co-vinyl acetate) (PVPVA64) was determined experimentally by differential scanning calorimetry (DSC). The phase behavior of these water-free formulations was modeled using the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT). Based on this, the API solubility and MIAPS in the above-mentioned formulations at humid conditions was predicted in perfect agreement with the results of two-year lasting stability studies at 25°C/0% RH and 40°C/75% RH. MIAPS was predicted and also experimentally found for the FEL/PVP, FEL/PVPVA64 and IBU/PVP formulations, whereas MIAPS was neither predicted nor measured for the IBU/PVPVA64 system and PVAC-containing formulations. It was thus shown that the results of time-consuming long-term stability tests can be correctly predicted via thermodynamic modeling with PC-SAFT. Copyright © 2017 Elsevier B.V. All rights reserved.

Molecular mobility in amorphous state: Implications on physical stability

NASA Astrophysics Data System (ADS)

Bhardwaj, Sunny Piyush

Amorphous pharmaceuticals are desirable in drug development due to their advantageous biopharmaceutical properties of higher apparent aqueous solubility and dissolution rate. The main obstacle in their widespread use, however, is their higher physicochemical instability than their crystalline counterparts. The goal of the present research project was to investigate correlations between the molecular mobility and physical stability in model amorphous compounds. The objective was to identify the specific mobility which is responsible for the physical instability in each case. This will potentially enable the development of effective strategies for the stabilization of amorphous pharmaceuticals. Moreover, these correlations can be used to develop predictive models for the stability at the pharmaceutically relevant storage conditions. Subtraction of dc conductivity enabled the comprehensive characterization of molecular mobility in amorphous trehalose. This was followed by investigation of correlation between crystallization behavior and different relaxations. Global mobility was found to be strongly coupled to both crystallization onset time and rate. Different preparation methods imparted different mobility states to amorphous trehalose which was postulated to be the reason for the significant physical stability differences. Predictive models were developed and a good agreement was found between the predicted and the experimental crystallization onset times at temperatures around and below the glass transition temperature (Tg). Effect of annealing was investigated on water sorption, enthalpic recovery and dielectric relaxation times in amorphous trehalose. Global mobility was found to be linearly correlated to the water sorption potential which enabled the development of predictive models. Global mobility was also found to be strongly correlated to physical instability in amorphous itraconazole. Effect of polymer (PVP and HPMCAS) on itraconazole mobility and stability was also evaluated. Global mobility was found to be correlated to stability in both the solid dispersions. HPMCAS was found to be a better stabilizer than PVP due to its pronounced effect on global mobility.

Efficiency of Hysteresis Rods in Small Spacecraft Attitude Stabilization

PubMed Central

Farrahi, Assal; Sanz-Andrés, Ángel

2013-01-01

A semiempirical method for predicting the damping efficiency of hysteresis rods on-board small satellites is presented. It is based on the evaluation of dissipating energy variation of different ferromagnetic materials for two different rod shapes: thin film and circular cross-section rods, as a function of their elongation. Based on this formulation, an optimum design considering the size of hysteresis rods, their cross section shape, and layout has been proposed. Finally, the formulation developed was applied to the case of four existing small satellites, whose corresponding in-flight data are published. A good agreement between the estimated rotational speed decay time and the in-flight data has been observed. PMID:24501579

[Development of an automatic pneumatic tourniquet system that determines pressures in synchrony with systolic blood pressure].

PubMed

Liu, Hongyun; Li, Kaiyuan; Zhang, Zhengbo; Guo, Junyan; Wang, Weidong

2012-11-01

The correlation coefficients between arterial occlusion pressure and systolic blood pressure, diastolic blood pressure, limb circumference, body mass etc were obtained through healthy volunteer experiments, in which tourniquet were applied on upper/lower extremities. The prediction equations were derived from the data of experiments by multiple regression analysis. Based on the microprocessor C8051F340, a new pneumatic tourniquet system that can determine tourniquet pressure in synchrony with systolic blood pressure was developed and verified the function and stability of designed system. Results showed that the pneumatic tourniquet which automatically adjusts occlusion pressure in accordance with systolic blood pressure could stop the flow of blood to get a bloodless field.

An Analysis of Wave Interactions in Swept-Wing Flows

NASA Technical Reports Server (NTRS)

Reed, H. L.

1984-01-01

Crossflow instabilities dominate disturbance growth in the leading-edge region of swept wings. Streamwise vortices in a boundary layer strongly influence the behavior of other disturbances. Amplification of crossflow vortices near the leading edge produces a residual spanwise nonuniformity in the mid-chord regions where Tollmien-Schlichting (T-S) waves are strongly amplified. Should the T-S wave undergo double-exponential growth because of this effect, the usual transition prediction methods would fail. The crossflow/Tollmien-Schlichting wave interaction was modeled as a secondary instability. The effects of suction are included, and different stability criteria are examined. The results are applied to laminar flow control wings characteristic of energy-efficient aircraft designs.

The 32nd CDC: System identification using interval dynamic models

NASA Technical Reports Server (NTRS)

Keel, L. H.; Lew, J. S.; Bhattacharyya, S. P.

1992-01-01

Motivated by the recent explosive development of results in the area of parametric robust control, a new technique to identify a family of uncertain systems is identified. The new technique takes the frequency domain input and output data obtained from experimental test signals and produces an 'interval transfer function' that contains the complete frequency domain behavior with respect to the test signals. This interval transfer function is one of the key concepts in the parametric robust control approach and identification with such an interval model allows one to predict the worst case performance and stability margins using recent results on interval systems. The algorithm is illustrated by applying it to an 18 bay Mini-Mast truss structure.

Lateral-directional aerodynamic characteristics of light, twin-engine, propeller driven airplanes

NASA Technical Reports Server (NTRS)

Wolowicz, C. H.; Yancey, R. B.

1972-01-01

Analytical procedures and design data for predicting the lateral-directional static and dynamic stability and control characteristics of light, twin engine, propeller driven airplanes for propeller-off and power-on conditions are reported. Although the consideration of power effects is limited to twin engine airplanes, the propeller-off considerations are applicable to single engine airplanes as well. The procedures are applied to a twin engine, propeller driven, semi-low-wing airplane in the clean configuration through the linear lift range. The calculated derivative characteristics are compared with wind tunnel and flight data. Included in the calculated characteristics are the spiral mode, roll mode, and Dutch roll mode over the speed range of the airplane.

The Magnetically-Tuned Transition-Edge Sensor

NASA Technical Reports Server (NTRS)

Sadleir, John E.; Lee, Sang-Jun; Smith, Stephen J.; Busch, Sarah E.; Bandler, Simon R.; Adams, Joseph S.; Eckart, Megan E.; Chevenak, James A.; Kelley, Richard L.; Kilbourne, Caroline A.;

Averaged variational principle for autoresonant Bernstein-Greene-Kruskal modes

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

Khain, P.; Friedland, L.

2010-10-15

Whitham's averaged variational principle is applied in studying dynamics of formation of autoresonant (continuously phase-locked) Bernstein-Greene-Kruskal (BGK) modes in a plasma driven by a chirped frequency ponderomotive wave. A flat-top electron velocity distribution is used as a model allowing a variational formulation within the water bag theory. The corresponding Lagrangian, averaged over the fast phase variable yields evolution equations for the slow field variables, allows uniform description of all stages of excitation of driven-chirped BGK modes, and predicts modulational stability of these nonlinear phase-space structures. Numerical solutions of the system of slow variational equations are in good agreement with Vlasov-Poissonmore » simulations.« less

Predicted and flight test results of the performance, stability and control of the space shuttle from reentry to landing

NASA Technical Reports Server (NTRS)

Kirsten, P. W.; Richardson, D. F.; Wilson, C. M.

1983-01-01

Aerodynaic performance, stability and control data obtained from the first five reentries of the Space Shuttle orbiter are given. Flight results are compared to pedicted data from Mach 26.4 to Mach 0.4. Differences between flight and predicted data as well as probable causes for the discrepancies are given.

Diagnostic stability of autism spectrum disorder in toddlers prospectively identified in a community-based setting: Behavioural characteristics and predictors of change over time.

PubMed

Barbaro, Josephine; Dissanayake, Cheryl

2017-10-01

Autism spectrum disorder diagnoses in toddlers have been established as accurate and stable across time in high-risk siblings and clinic-referred samples. Few studies have investigated diagnostic stability in children prospective identified in community-based settings. Furthermore, there is a dearth of evidence on the individual behaviours that predict diagnostic change over time. The stability and change of autism spectrum disorder diagnoses were investigated from 24 to 48 months in 77 children drawn from the Social Attention and Communication Study. Diagnostic stability was high, with 88.3% overall stability and 85.5% autism spectrum disorder stability. The behavioural markers at 24 months that contributed to diagnostic shift off the autism spectrum by 48 months included better eye contact, more directed vocalisations, the integration of gaze and directed vocalisations/gestures and higher non-verbal developmental quotient. These four variables correctly predicted 88.7% of children into the autism spectrum disorder-stable and autism spectrum disorder-crossover groups overall, with excellent prediction for the stable group (96.2%) and modest prediction for the crossover group (44.4%). Furthermore, non-verbal developmental quotient at 24 months accounted for the significant improvement across time in 'Social Affect' scores on the Autism Diagnostic Observation Schedule for both groups and was the only unique predictor of diagnostic crossover. These findings contribute to the body of evidence on the feasibility of diagnoses at earlier ages to facilitate children's access to interventions to promote positive developmental outcomes.

Assessing the stability of human locomotion: a review of current measures

PubMed Central

Bruijn, S. M.; Meijer, O. G.; Beek, P. J.; van Dieën, J. H.

2013-01-01

Falling poses a major threat to the steadily growing population of the elderly in modern-day society. A major challenge in the prevention of falls is the identification of individuals who are at risk of falling owing to an unstable gait. At present, several methods are available for estimating gait stability, each with its own advantages and disadvantages. In this paper, we review the currently available measures: the maximum Lyapunov exponent (λS and λL), the maximum Floquet multiplier, variability measures, long-range correlations, extrapolated centre of mass, stabilizing and destabilizing forces, foot placement estimator, gait sensitivity norm and maximum allowable perturbation. We explain what these measures represent and how they are calculated, and we assess their validity, divided up into construct validity, predictive validity in simple models, convergent validity in experimental studies, and predictive validity in observational studies. We conclude that (i) the validity of variability measures and λS is best supported across all levels, (ii) the maximum Floquet multiplier and λL have good construct validity, but negative predictive validity in models, negative convergent validity and (for λL) negative predictive validity in observational studies, (iii) long-range correlations lack construct validity and predictive validity in models and have negative convergent validity, and (iv) measures derived from perturbation experiments have good construct validity, but data are lacking on convergent validity in experimental studies and predictive validity in observational studies. In closing, directions for future research on dynamic gait stability are discussed. PMID:23516062

Rational Development of Neutral Aqueous Electrolytes for Zinc-Air Batteries.

PubMed

Clark, Simon; Latz, Arnulf; Horstmann, Birger

2017-12-08

Neutral aqueous electrolytes have been shown to extend both the calendar life and cycling stability of secondary zinc-air batteries (ZABs). Despite this promise, there are currently no modeling studies investigating the performance of neutral ZABs. Traditional continuum models are numerically insufficient to simulate the dynamic behavior of these complex systems because of the rapid, orders-of-magnitude concentration shifts that occur. In this work, we present a novel framework for modeling the cell-level performance of pH-buffered aqueous electrolytes. We apply our model to conduct the first continuum-scale simulation of secondary ZABs using aqueous ZnCl 2 -NH 4 Cl as electrolyte. We first use our model to interpret the results of two recent experimental studies of neutral ZABs, showing that the stability of the pH value is a significant factor in cell performance. We then optimize the composition of the electrolyte and the design of the cell considering factors including pH stability, final discharge product, and overall energy density. Our simulations predict that the effectiveness of the pH buffer is limited by slow mass transport and that chlorine-containing solids may precipitate in addition to ZnO. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Optimization of cellulose nanocrystal length and surface charge density through phosphoric acid hydrolysis

NASA Astrophysics Data System (ADS)

Vanderfleet, Oriana M.; Osorio, Daniel A.; Cranston, Emily D.

2017-12-01

Cellulose nanocrystals (CNCs) are emerging nanomaterials with a large range of potential applications. CNCs are typically produced through acid hydrolysis with sulfuric acid; however, phosphoric acid has the advantage of generating CNCs with higher thermal stability. This paper presents a design of experiments approach to optimize the hydrolysis of CNCs from cotton with phosphoric acid. Hydrolysis time, temperature and acid concentration were varied across nine experiments and a linear least-squares regression analysis was applied to understand the effects of these parameters on CNC properties. In all but one case, rod-shaped nanoparticles with a high degree of crystallinity and thermal stability were produced. A statistical model was generated to predict CNC length, and trends in phosphate content and zeta potential were elucidated. The CNC length could be tuned over a relatively large range (238-475 nm) and the polydispersity could be narrowed most effectively by increasing the hydrolysis temperature and acid concentration. The CNC phosphate content was most affected by hydrolysis temperature and time; however, the charge density and colloidal stability were considered low compared with sulfuric acid hydrolysed CNCs. This study provides insight into weak acid hydrolysis and proposes `design rules' for CNCs with improved size uniformity and charge density. This article is part of a discussion meeting issue `New horizons for cellulose nanotechnology'.

A predictive numerical model for potential mapping of the gas hydrate stability zone in the Gulf of Cadiz

NASA Astrophysics Data System (ADS)

Leon, R.; Somoza, L.

2009-04-01

This comunication presents a computational model for mapping the regional 3D distribution in which seafloor gas hydrates would be stable, that is carried out in a Geographical Information System (GIS) environment. The construction of the model is comprised of three primary steps, namely (1) the construction of surfaces for the various variables based on available 3D data (seafloor temperature, geothermal gradient and depth-pressure); (2) the calculation of the gas function equilibrium functions for the various hydrocarbon compositions reported from hydrate and sediment samples; and (3) the calculation of the thickness of the hydrate stability zone. The solution is based on a transcendental function, which is solved iteratively in a GIS environment. The model has been applied in the northernmost continental slope of the Gulf of Cadiz, an area where an abundant supply for hydrate formation, such as extensive hydrocarbon seeps, diapirs and fault structures, is combined with deep undercurrents and a complex seafloor morphology. In the Gulf of Cadiz, model depicts the distribution of the base of the gas hydrate stability zone for both biogenic and thermogenic gas compositions, and explains the geometry and distribution of geological structures derived from gas venting in the Tasyo Field (Gulf of Cadiz) and the generation of BSR levels on the upper continental slope.

Dynamic stability analysis for capillary channel flow: One-dimensional and three-dimensional computations and the equivalent steady state technique

NASA Astrophysics Data System (ADS)

Grah, Aleksander; Dreyer, Michael E.

2010-01-01

Spacecraft technology provides a series of applications for capillary channel flow. It can serve as a reliable means for positioning and transport of liquids under low gravity conditions. Basically, capillary channels provide liquid paths with one or more free surfaces. A problem may be flow instabilities leading to a collapse of the liquid surfaces. A result is undesired gas ingestion and a two phase flow which can in consequence cause several technical problems. The presented capillary channel consists of parallel plates with two free liquid surfaces. The flow rate is established by a pump at the channel outlet, creating a lower pressure within the channel. Owing to the pressure difference between the liquid phase and the ambient gas phase the free surfaces bend inwards and remain stable as long as they are able to resist the steady and unsteady pressure effects. For the numerical prediction of the flow stability two very different models are used. The one-dimensional unsteady model is mainly based on the Bernoulli equation, the continuity equation, and the Gauss-Laplace equation. For three-dimensional evaluations an open source computational fluid dynamics (CFD) tool is applied. For verifications the numerical results are compared with quasisteady and unsteady data of a sounding rocket experiment. Contrary to previous experiments this one results in a significantly longer observation sequence. Furthermore, the critical point of the steady flow instability could be approached by a quasisteady technique. As in previous experiments the comparison to the numerical model evaluation shows a very good agreement for the movement of the liquid surfaces and for the predicted flow instability. The theoretical prediction of the flow instability is related to the speed index, based on characteristic velocities of the capillary channel flow. Stable flow regimes are defined by stability criteria for steady and unsteady flow. The one-dimensional computation of the speed index is based on the technique of the equivalent steady system, which is published for the first time in the present paper. This approach assumes that for every unsteady state an equivalent steady state with a special boundary condition can be formulated. The equivalent steady state technique enables a reformulation of the equation system and an efficient and reliable speed index computation. Furthermore, the existence of the numerical singularity at the critical point of the steady flow instability, postulated in previous publication, is demonstrated in detail. The numerical singularity is related to the stability criterion for steady flow and represents the numerical consequence of the liquid surface collapse. The evaluation and generation of the pressure diagram is demonstrated in detail with a series of numerical dynamic flow studies. The stability diagram, based on one-dimensional computation, gives a detailed overview of the stable and instable flow regimes. This prediction is in good agreement with the experimentally observed critical flow conditions and results of three-dimensional CFD computations.

An Experimental Investigation of Wall-Cooling Effects on Hypersonic Boundary-Layer Stability in a Quiet Wind Tunnel

NASA Technical Reports Server (NTRS)

Blanchard, Alan E.; Selby, Gregory V.

1996-01-01

One of the primary reasons for developing quiet tunnels is for the investigation of high-speed boundary-layer stability and transition phenomena without the transition-promoting effects of acoustic radiation from tunnel walls. In this experiment, a flared-cone model under adiabatic- and cooled-wall conditions was placed in a calibrated, 'quiet' Mach 6 flow and the stability of the boundary layer was investigated using a prototype constant-voltage anemometer. The results were compared with linear-stability theory predictions and good agreement was found in the prediction of second-mode frequencies and growth. In addition, the same 'N=10' criterion used to predict boundary-layer transition in subsonic, transonic, and supersonic flows was found to be applicable for the hypersonic flow regime as well. Under cooled-wall conditions, a unique set of continuous spectra data was acquired that documents the linear, nonlinear, and breakdown regions associated with the transition of hypersonic flow under low-noise conditions.

Efficient first-principles prediction of solid stability: Towards chemical accuracy

DOE PAGES

Zhang, Yubo; Kitchaev, Daniil A.; Yang, Julia; ...

2018-03-09

The question of material stability is of fundamental importance to any analysis of system properties in condensed matter physics and materials science. The ability to evaluate chemical stability, i.e., whether a stoichiometry will persist in some chemical environment, and structure selection, i.e. what crystal structure a stoichiometry will adopt, is critical to the prediction of materials synthesis, reactivity and properties. In this paper, we demonstrate that density functional theory, with the recently developed strongly constrained and appropriately normed (SCAN) functional, has advanced to a point where both facets of the stability problem can be reliably and efficiently predicted for mainmore » group compounds, while transition metal compounds are improved but remain a challenge. SCAN therefore offers a robust model for a significant portion of the periodic table, presenting an opportunity for the development of novel materials and the study of fine phase transformations even in largely unexplored systems with little to no experimental data.« less

Efficient first-principles prediction of solid stability: Towards chemical accuracy

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

Zhang, Yubo; Kitchaev, Daniil A.; Yang, Julia

The question of material stability is of fundamental importance to any analysis of system properties in condensed matter physics and materials science. The ability to evaluate chemical stability, i.e., whether a stoichiometry will persist in some chemical environment, and structure selection, i.e. what crystal structure a stoichiometry will adopt, is critical to the prediction of materials synthesis, reactivity and properties. In this paper, we demonstrate that density functional theory, with the recently developed strongly constrained and appropriately normed (SCAN) functional, has advanced to a point where both facets of the stability problem can be reliably and efficiently predicted for mainmore » group compounds, while transition metal compounds are improved but remain a challenge. SCAN therefore offers a robust model for a significant portion of the periodic table, presenting an opportunity for the development of novel materials and the study of fine phase transformations even in largely unexplored systems with little to no experimental data.« less

Materials Screening for the Discovery of New Half-Heuslers: Machine Learning versus ab Initio Methods.

PubMed

Legrain, Fleur; Carrete, Jesús; van Roekeghem, Ambroise; Madsen, Georg K H; Mingo, Natalio

2018-01-18

Machine learning (ML) is increasingly becoming a helpful tool in the search for novel functional compounds. Here we use classification via random forests to predict the stability of half-Heusler (HH) compounds, using only experimentally reported compounds as a training set. Cross-validation yields an excellent agreement between the fraction of compounds classified as stable and the actual fraction of truly stable compounds in the ICSD. The ML model is then employed to screen 71 178 different 1:1:1 compositions, yielding 481 likely stable candidates. The predicted stability of HH compounds from three previous high-throughput ab initio studies is critically analyzed from the perspective of the alternative ML approach. The incomplete consistency among the three separate ab initio studies and between them and the ML predictions suggests that additional factors beyond those considered by ab initio phase stability calculations might be determinant to the stability of the compounds. Such factors can include configurational entropies and quasiharmonic contributions.

DLVO Approximation Methods for Predicting the Attachment of Silver Nanoparticles to Ceramic Membranes.

PubMed

Mikelonis, Anne M; Youn, Sungmin; Lawler, Desmond F

2016-02-23

This article examines the influence of three common stabilizing agents (citrate, poly(vinylpyrrolidone) (PVP), and branched poly(ethylenimine) (BPEI)) on the attachment affinity of silver nanoparticles to ceramic water filters. Citrate-stabilized silver nanoparticles were found to have the highest attachment affinity (under conditions in which the surface potential was of opposite sign to the filter). This work demonstrates that the interaction between the electrical double layers plays a critical role in the attachment of nanoparticles to flat surfaces and, in particular, that predictions of double-layer interactions are sensitive to boundary condition assumptions (constant charge vs constant potential). The experimental deposition results can be explained when using different boundary condition assumptions for different stabilizing molecules but not when the same assumption was assumed for all three types of particles. The integration of steric interactions can also explain the experimental deposition results. Particle size was demonstrated to have an effect on the predicted deposition for BPEI-stabilized particles but not for PVP.

Prediction-Oriented Marker Selection (PROMISE): With Application to High-Dimensional Regression.

PubMed

Kim, Soyeon; Baladandayuthapani, Veerabhadran; Lee, J Jack

2017-06-01

In personalized medicine, biomarkers are used to select therapies with the highest likelihood of success based on an individual patient's biomarker/genomic profile. Two goals are to choose important biomarkers that accurately predict treatment outcomes and to cull unimportant biomarkers to reduce the cost of biological and clinical verifications. These goals are challenging due to the high dimensionality of genomic data. Variable selection methods based on penalized regression (e.g., the lasso and elastic net) have yielded promising results. However, selecting the right amount of penalization is critical to simultaneously achieving these two goals. Standard approaches based on cross-validation (CV) typically provide high prediction accuracy with high true positive rates but at the cost of too many false positives. Alternatively, stability selection (SS) controls the number of false positives, but at the cost of yielding too few true positives. To circumvent these issues, we propose prediction-oriented marker selection (PROMISE), which combines SS with CV to conflate the advantages of both methods. Our application of PROMISE with the lasso and elastic net in data analysis shows that, compared to CV, PROMISE produces sparse solutions, few false positives, and small type I + type II error, and maintains good prediction accuracy, with a marginal decrease in the true positive rates. Compared to SS, PROMISE offers better prediction accuracy and true positive rates. In summary, PROMISE can be applied in many fields to select regularization parameters when the goals are to minimize false positives and maximize prediction accuracy.

A quiet tunnel investigation of hypersonic boundary-layer stability over a cooled, flared cone

NASA Technical Reports Server (NTRS)

Blanchard, Alan E.; Selby, Gregory V.; Wilkinson, Stephen P.

1996-01-01

A flared-cone model under adiabatic and cooled-wall conditions was placed in a calibrated, low-disturbance Mach 6 flow and the stability of the boundary layer was investigated using a prototype constant-voltage anemometer. The results were compared with linear-stability theory predictions and good agreement was found in the prediction of second-mode frequencies and growth. In addition, the same 'N = 10' criterion used to predict boundary-layer transition in subsonic, transonic, and supersonic flows under low freestream noise conditions was found to be applicable for the hypersonic flow regime as well. Under cooled-wall conditions, a unique set of spectral data was acquired that documents the linear, nonlinear, and breakdown regions associated with the transition of hypersonic flow under low-noise conditions.

Frontal EEG Asymmetry and Temperament Across Infancy and Early Childhood: An Exploration of Stability and Bidirectional Relations

PubMed Central

Howarth, Grace Z.; Fettig, Nicole B.; Curby, Timothy W.; Bell, Martha Ann

2015-01-01

The stability of frontal electroencephalogram (EEG) asymmetry, temperamental activity level and fear, as well as bidirectional relations between asymmetry and temperament across the first four years of life were examined in a sample of 183 children. Children participated in annual lab visits through 48 months, providing EEG and maternal report of temperament. EEG asymmetry showed moderate stability between 10 and 24 months. Analyses revealed that more left asymmetry predicted later activity level across the first three years. Conversely, asymmetry did not predict fear. Rather, fear at 36 months predicted more right asymmetry at 48 months. Results highlight the need for additional longitudinal research of infants and children to increase understanding of bidirectional relations between EEG and temperament in typically developing populations. PMID:26659466

A preliminary correlation of the orbiter stability and control aerodynamics from the first two Space Shuttle flights /STS-1 & 2/ with preflight predictions

NASA Technical Reports Server (NTRS)

Underwood, J. M.; Cooke, D. R.

1982-01-01

A correlation of the stability and control derivatives from flight (STS-1 & 2) with preflight predictions is presented across the Mach range from 0.9 to 25. Flight data obtained from specially designed flight test maneuvers as well as from conventional bank maneuvers generally indicate good agreement with predicted data. However, the vehicle appears to be lateral-directionally more stable than predicted in the transonic regime. Aerodynamic 'reasonableness tests' are employed to test for validity of flight data. The importance of testing multiple models in multiple wind tunnels at the same test conditions is demonstrated.

A comparative analysis of hazard models for predicting debris flows in Madison County, VA

USGS Publications Warehouse

Morrissey, Meghan M.; Wieczorek, Gerald F.; Morgan, Benjamin A.

2001-01-01

During the rainstorm of June 27, 1995, roughly 330-750 mm of rain fell within a sixteen-hour period, initiating floods and over 600 debris flows in a small area (130 km2) of Madison County, Virginia. Field studies showed that the majority (70%) of these debris flows initiated with a thickness of 0.5 to 3.0 m in colluvium on slopes from 17 o to 41 o (Wieczorek et al., 2000). This paper evaluated and compared the approaches of SINMAP, LISA, and Iverson's (2000) transient response model for slope stability analysis by applying each model to the landslide data from Madison County. Of these three stability models, only Iverson's transient response model evaluated stability conditions as a function of time and depth. Iverson?s model would be the preferred method of the three models to evaluate landslide hazards on a regional scale in areas prone to rain-induced landslides as it considers both the transient and spatial response of pore pressure in its calculation of slope stability. The stability calculation used in SINMAP and LISA is similar and utilizes probability distribution functions for certain parameters. Unlike SINMAP that only considers soil cohesion, internal friction angle and rainfall-rate distributions, LISA allows the use of distributed data for all parameters, so it is the preferred model to evaluate slope stability over SINMAP. Results from all three models suggested similar soil and hydrologic properties for triggering the landslides that occurred during the 1995 storm in Madison County, Virginia. The colluvium probably had cohesion of less than 2KPa. The root-soil system is above the failure plane and consequently root strength and tree surcharge had negligible effect on slope stability. The result that the final location of the water table was near the ground surface is supported by the water budget analysis of the rainstorm conducted by Smith et al. (1996).

Micromolecular modeling

NASA Technical Reports Server (NTRS)

Guillet, J. E.

1984-01-01

A reaction kinetics based model of the photodegradation process, which measures all important rate constants, and a computerized model capable of predicting the photodegradation rate and failure modes of a 30 year period, were developed. It is shown that the computerized photodegradation model for polyethylene correctly predicts failure of ELVAX 15 and cross linked ELVAX 150 on outdoor exposure. It is indicated that cross linking ethylene vinyl acetate (EVA) does not significantly change its degradation rate. It is shown that the effect of the stabilizer package is approximately equivalent on both polymers. The computerized model indicates that peroxide decomposers and UV absorbers are the most effective stabilizers. It is found that a combination of UV absorbers and a hindered amine light stabilizer (HALS) is the most effective stabilizer system.

Computer-aided molecular modeling techniques for predicting the stability of drug cyclodextrin inclusion complexes in aqueous solutions

NASA Astrophysics Data System (ADS)

Faucci, Maria Teresa; Melani, Fabrizio; Mura, Paola

2002-06-01

Molecular modeling was used to investigate factors influencing complex formation between cyclodextrins and guest molecules and predict their stability through a theoretical model based on the search for a correlation between experimental stability constants ( Ks) and some theoretical parameters describing complexation (docking energy, host-guest contact surfaces, intermolecular interaction fields) calculated from complex structures at a minimum conformational energy, obtained through stochastic methods based on molecular dynamic simulations. Naproxen, ibuprofen, ketoprofen and ibuproxam were used as model drug molecules. Multiple Regression Analysis allowed identification of the significant factors for the complex stability. A mathematical model ( r=0.897) related log Ks with complex docking energy and lipophilic molecular fields of cyclodextrin and drug.

Personality Predictors of Successful Development: Toddler Temperament and Adolescent Personality Traits Predict Well-Being and Career Stability in Middle Adulthood

PubMed Central

2015-01-01

The aim of the study was to predict both adaptive psychological functioning (well-being) and adaptive social functioning (career stability) in middle adulthood based on behaviors observed in toddlerhood and personality traits measured in adolescence. 83 people participated in an ongoing longitudinal study started in 1961 (58% women). Based on children’s behavior in toddlerhood, three temperamental dimensions were identified – positive affectivity, negative affectivity and disinhibition. In adolescence, extraversion and neuroticism were measured at the age of 16 years. Various aspects of well-being were used as indicators of adaptive psychological functioning in adulthood: life satisfaction, self-esteem and self-efficacy. Career stability was used as an indicator of adaptive social functioning. Job careers of respondents were characterized as stable, unstable or changeable. Extraversion measured at the age of 16 proved to be the best predictor of well-being indicators; in case of self-efficacy it was also childhood disinhibition. Extraversion in adolescence, childhood disinhibition and negative affectivity predicted career stability. Findings are discussed in the context of a theoretical framework of higher order factors of the Big Five personality constructs, stability and plasticity. PMID:25919394

Field testing of fugitive dust control techniques at a uranium mill tailings pile - 1982 Field Test, Gas Hills, Wyoming.

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

Elmore, M.R.; Hartley, J.N.

A field test was conducted on a uranium tailings pile to evaluate the effectiveness of 15 chemical stabilizers for control of fugitive dust from uranium mill tailings. A tailings pile at the Federal American Partners (FAP) Uranium Mill, Gas Hills, Wyoming, was used for the field test. Preliminary laboratory tests using a wing tunnel were conducted to select the more promising stabilizers for field testing. Fourteen of the chemical stabilizers were applied with a field spray system pulled behind a tractor; one--Hydro Mulch--was applied with a hydroseeder. A portable weather station and data logger were installed to record the weathermore » conditions at the test site. After 1 year of monitoring (including three site visits), all of the stabilizers have degraded to some degree; but those applied at the manufacturers' recommended rate are still somewhat effective in reducing fugitive emissions. The following synthetic polymer emulsions appear to be the more effective stabilizers: Wallpol 40-133 from Reichold Chemicals, SP-400 from Johnson and March Corporation, and CPB-12 from Wen Don Corporation. Installed costs for the test plots ranged from $8400 to $11,300/ha; this range results from differences in stabilizer costs. Large-scale stabilization costs of the test materials are expected to range from $680 to $3600/ha based on FAP experience. Evaluation of the chemical stabilizers will continue for approximately 1 year. 2 references, 33 figures, 22 tables.« less

Fractional Stability of Trunk Acceleration Dynamics of Daily-Life Walking: Toward a Unified Concept of Gait Stability

PubMed Central

Ihlen, Espen A. F.; van Schooten, Kimberley S.; Bruijn, Sjoerd M.; Pijnappels, Mirjam; van Dieën, Jaap H.

2017-01-01

Over the last decades, various measures have been introduced to assess stability during walking. All of these measures assume that gait stability may be equated with exponential stability, where dynamic stability is quantified by a Floquet multiplier or Lyapunov exponent. These specific constructs of dynamic stability assume that the gait dynamics are time independent and without phase transitions. In this case the temporal change in distance, d(t), between neighboring trajectories in state space is assumed to be an exponential function of time. However, results from walking models and empirical studies show that the assumptions of exponential stability break down in the vicinity of phase transitions that are present in each step cycle. Here we apply a general non-exponential construct of gait stability, called fractional stability, which can define dynamic stability in the presence of phase transitions. Fractional stability employs the fractional indices, α and β, of differential operator which allow modeling of singularities in d(t) that cannot be captured by exponential stability. The fractional stability provided an improved fit of d(t) compared to exponential stability when applied to trunk accelerations during daily-life walking in community-dwelling older adults. Moreover, using multivariate empirical mode decomposition surrogates, we found that the singularities in d(t), which were well modeled by fractional stability, are created by phase-dependent modulation of gait. The new construct of fractional stability may represent a physiologically more valid concept of stability in vicinity of phase transitions and may thus pave the way for a more unified concept of gait stability. PMID:28900400

Individual Predictors of Adolescents' Vocational Interest Stabilities

ERIC Educational Resources Information Center

Hirschi, Andreas

2010-01-01

The study investigated the predictive utility of interest profile differentiation, coherence, elevation, congruence, and vocational identity commitment and career maturity (career planning and exploration) on the 10-month interest stability of 292 Swiss eighth-grade students: profile, rank, and level stabilities were assessed. Controlling for…

COSAL: A black-box compressible stability analysis code for transition prediction in three-dimensional boundary layers

NASA Technical Reports Server (NTRS)

Malik, M. R.

1982-01-01

A fast computer code COSAL for transition prediction in three dimensional boundary layers using compressible stability analysis is described. The compressible stability eigenvalue problem is solved using a finite difference method, and the code is a black box in the sense that no guess of the eigenvalue is required from the user. Several optimization procedures were incorporated into COSAL to calculate integrated growth rates (N factor) for transition correlation for swept and tapered laminar flow control wings using the well known e to the Nth power method. A user's guide to the program is provided.

Experimental Investigations of Generalized Predictive Control for Tiltrotor Stability Augmentation

NASA Technical Reports Server (NTRS)

Nixon, Mark W.; Langston, Chester W.; Singleton, Jeffrey D.; Piatak, David J.; Kvaternik, Raymond G.; Bennett, Richard L.; Brown, Ross K.

2001-01-01

A team of researchers from the Army Research Laboratory, NASA Langley Research Center (LaRC), and Bell Helicopter-Textron, Inc. have completed hover-cell and wind-tunnel testing of a 1/5-size aeroelastically-scaled tiltrotor model using a new active control system for stability augmentation. The active system is based on a generalized predictive control (GPC) algorithm originally developed at NASA LaRC in 1997 for un-known disturbance rejection. Results of these investigations show that GPC combined with an active swashplate can significantly augment the damping and stability of tiltrotors in both hover and high-speed flight.

Coexistence of collapse and stable spatiotemporal solitons in multimode fibers

NASA Astrophysics Data System (ADS)

Shtyrina, Olga V.; Fedoruk, Mikhail P.; Kivshar, Yuri S.; Turitsyn, Sergei K.

2018-01-01

We analyze spatiotemporal solitons in multimode optical fibers and demonstrate the existence of stable solitons, in a sharp contrast to earlier predictions of collapse of multidimensional solitons in three-dimensional media. We discuss the coexistence of blow-up solutions and collapse stabilization by a low-dimensional external potential in graded-index media, and also predict the existence of stable higher-order nonlinear waves such as dipole-mode spatiotemporal solitons. To support the main conclusions of our numerical studies we employ a variational approach and derive analytically the stability criterion for input powers for the collapse stabilization.

Dynamics of an HBV/HCV infection model with intracellular delay and cell proliferation

NASA Astrophysics Data System (ADS)

Zhang, Fengqin; Li, Jianquan; Zheng, Chongwu; Wang, Lin

2017-01-01

A new mathematical model of hepatitis B/C virus (HBV/HCV) infection which incorporates the proliferation of healthy hepatocyte cells and the latent period of infected hepatocyte cells is proposed and studied. The dynamics is analyzed via Pontryagin's method and a newly proposed alternative geometric stability switch criterion. Sharp conditions ensuring stability of the infection persistent equilibrium are derived by applying Pontryagin's method. Using the intracellular delay as the bifurcation parameter and applying an alternative geometric stability switch criterion, we show that the HBV/HCV infection model undergoes stability switches. Furthermore, numerical simulations illustrate that the intracellular delay can induce complex dynamics such as persistence bubbles and chaos.

Early Identification of Children at Risk for Academic Difficulties Using Standardized Assessment: Stability and Predictive Validity of Preschool Math and Language Scores

ERIC Educational Resources Information Center

Frans, Niek; Post, Wendy J.; Huisman, Mark; Oenema-Mostert, Ineke C. E.; Keegstra, Anne L.; Minnaert, Alexander E. M. G.

2017-01-01

Despite the claim by several researchers that variability in performance may complicate the identification of "at-risk" children, variability in the academic performance of young children remains an undervalued area of research. The goal of this study is to examine the predictive validity for future scores and the score stability of two…

On the effect of boundary layer growth on the stability of compressible flows

NASA Technical Reports Server (NTRS)

El-Hady, N. M.

1981-01-01

The method of multiple scales is used to describe a formally correct method based on the nonparallel linear stability theory, that examines the two and three dimensional stability of compressible boundary layer flows. The method is applied to the supersonic flat plate layer at Mach number 4.5. The theoretical growth rates are in good agreement with experimental results. The method is also applied to the infinite-span swept wing transonic boundary layer with suction to evaluate the effect of the nonparallel flow on the development of crossflow disturbances.

Practical Methodology for the Inclusion of Nonlinear Slosh Damping in the Stability Analysis of Liquid-Propelled Space Vehicles

NASA Technical Reports Server (NTRS)

Ottander, John A.; Hall, Robert A.; Powers, J. F.

2018-01-01

A method is presented that allows for the prediction of the magnitude of limit cycles due to adverse control-slosh interaction in liquid propelled space vehicles using non-linear slosh damping. Such a method is an alternative to the industry practice of assuming linear damping and relying on: mechanical slosh baffles to achieve desired stability margins; accepting minimal slosh stability margins; or time domain non-linear analysis to accept time periods of poor stability. Sinusoidal input describing functional analysis is used to develop a relationship between the non-linear slosh damping and an equivalent linear damping at a given slosh amplitude. In addition, a more accurate analytical prediction of the danger zone for slosh mass locations in a vehicle under proportional and derivative attitude control is presented. This method is used in the control-slosh stability analysis of the NASA Space Launch System.

Hierarchy of stability factors in reverse shoulder arthroplasty.

PubMed

Gutiérrez, Sergio; Keller, Tony S; Levy, Jonathan C; Lee, William E; Luo, Zong-Ping

2008-03-01

Reverse shoulder arthroplasty is being used more frequently to treat irreparable rotator cuff tears in the presence of glenohumeral arthritis and instability. To date, however, design features and functions of reverse shoulder arthroplasty, which may be associated with subluxation and dislocation of these implants, have been poorly understood. We asked: (1) what is the hierarchy of importance of joint compressive force, prosthetic socket depth, and glenosphere size in relation to stability, and (2) is this hierarchy defined by underlying and theoretically predictable joint contact characteristics? We examined the intrinsic stability in terms of the force required to dislocate the humerosocket from the glenosphere of eight commercially available reverse shoulder arthroplasty devices. The hierarchy of factors was led by compressive force followed by socket depth; glenosphere size played a much lesser role in stability of the reverse shoulder arthroplasty device. Similar results were predicted by a mathematical model, suggesting the stability was determined primarily by compressive forces generated by muscles.

A plasma rotation control scheme for NSTX and NSTX-U

NASA Astrophysics Data System (ADS)

Goumiri, Imene

2016-10-01

Plasma rotation has been proven to play a key role in stabilizing large scale instabilities and improving plasma confinement by suppressing micro-turbulence. A model-based feedback system which controls the plasma rotation profile on the National Spherical Torus Experiment (NSTX) and its upgrade (NSTX-U) is presented. The first part of this work uses experimental measurements from NSTX as a starting point and models the control of plasma rotation using two different types of actuation: momentum from injected neutral beams and neoclassical toroidal viscosity generated by three-dimensional applied magnetic fields. Whether based on the data-driven model for NSTX or purely predictive modeling for NSTX-U, a reduced order model based feedback controller was designed. Predictive simulations using the TRANSP plasma transport code with the actuator input determined by the controller (controller-in-the-loop) show that the controller drives the plasma's rotation to the desired profiles in less than 100 ms given practical constraints on the actuators and the available real-time rotation measurements. This is the first time that TRANSP has been used as a plasma in simulator in a closed feedback loop test. Another approach to control simultaneously the toroidal rotation profile as well as βN is then shown for NSTX-U. For this case, the neutral beams (actuators) have been augmented in the modeling to match the upgrade version which spread the injection throughout the edge of the plasma. Control robustness in stability and performance has then been tested and used to predict the limits of the resulting controllers when the energy confinement time (τE) and the momentum diffusivity coefficient (χϕ) vary.

Numerical Prediction of the Influence of Thrust Reverser on Aeroengine's Aerodynamic Stability

NASA Astrophysics Data System (ADS)

Zhiqiang, Wang; Xigang, Shen; Jun, Hu; Xiang, Gao; Liping, Liu

2017-11-01

A numerical method was developed to predict the aerodynamic stability of a high bypass ratio turbofan engine, at the landing stage of a large transport aircraft, when the thrust reverser was deployed. 3D CFD simulation and 2D aeroengine aerodynamic stability analysis code were performed in this work, the former is to achieve distortion coefficient for the analysis of engine stability. The 3D CFD simulation was divided into two steps, the single engine calculation and the integrated aircraft and engine calculation. Results of the CFD simulation show that with the decreasing of relative wind Mach number, the engine inlet will suffer more severe flow distortion. The total pressure and total temperature distortion coefficients at the inlet of the engines were obtained from the results of the numerical simulation. Then an aeroengine aerodynamic stability analysis program was used to quantitatively analyze the aerodynamic stability of the high bypass ratio turbofan engine. The results of the stability analysis show that the engine can work stably, when the reverser flow is re-ingested. But the anti-distortion ability of the booster is weaker than that of the fan and high pressure compressor. It is a weak link of engine stability.

A modeling framework for evaluating streambank stabilization practices for reach-scale sediment reduction

USDA-ARS?s Scientific Manuscript database

Streambank stabilization techniques are often implemented to reduce sediment loads from unstable streambanks. Process-based models can predict sediment yields with stabilization scenarios prior to implementation. However, a framework does not exist on how to effectively utilize these models to evalu...

PredSTP: a highly accurate SVM based model to predict sequential cystine stabilized peptides.

PubMed

Islam, S M Ashiqul; Sajed, Tanvir; Kearney, Christopher Michel; Baker, Erich J

2015-07-05

Numerous organisms have evolved a wide range of toxic peptides for self-defense and predation. Their effective interstitial and macro-environmental use requires energetic and structural stability. One successful group of these peptides includes a tri-disulfide domain arrangement that offers toxicity and high stability. Sequential tri-disulfide connectivity variants create highly compact disulfide folds capable of withstanding a variety of environmental stresses. Their combination of toxicity and stability make these peptides remarkably valuable for their potential as bio-insecticides, antimicrobial peptides and peptide drug candidates. However, the wide sequence variation, sources and modalities of group members impose serious limitations on our ability to rapidly identify potential members. As a result, there is a need for automated high-throughput member classification approaches that leverage their demonstrated tertiary and functional homology. We developed an SVM-based model to predict sequential tri-disulfide peptide (STP) toxins from peptide sequences. One optimized model, called PredSTP, predicted STPs from training set with sensitivity, specificity, precision, accuracy and a Matthews correlation coefficient of 94.86%, 94.11%, 84.31%, 94.30% and 0.86, respectively, using 200 fold cross validation. The same model outperforms existing prediction approaches in three independent out of sample testsets derived from PDB. PredSTP can accurately identify a wide range of cystine stabilized peptide toxins directly from sequences in a species-agnostic fashion. The ability to rapidly filter sequences for potential bioactive peptides can greatly compress the time between peptide identification and testing structural and functional properties for possible antimicrobial and insecticidal candidates. A web interface is freely available to predict STP toxins from http://crick.ecs.baylor.edu/.

Cognitive demand and predictive adaptational responses in dynamic stability control.

PubMed

Bohm, Sebastian; Mersmann, Falk; Bierbaum, Stefanie; Dietrich, Ralf; Arampatzis, Adamantios

2012-09-21

We studied the effects of a concurrent cognitive task on predictive motor control, a feedforward mechanism of dynamic stability control, during disturbed gait in young and old adults. Thirty-two young and 27 elderly male healthy subjects participated and were randomly assigned to either control or dual task groups. By means of a covered exchangeable element the surface condition on a gangway could be altered to induce gait perturbations. The experimental protocol included a baseline on hard surface and an adaptation phase with twelve trials on soft surface. After the first, sixth and last soft surface trial, the surface condition was changed to hard (H1-3), to examine after-effects and, thus, to quantify predictive motor control. Dynamic stability was assessed using the 'margin of stability (MoS)' as a criterion for the stability state of the human body (extrapolated center of mass concept). In H1-3 the young participants significantly increased the MoS at touchdown of the disturbed leg compared to baseline. The magnitude and the rate of these after-effects were unaffected by the dual task condition. The old participants presented a trend to after-effects (i.e., increase of MoS) in H3 but only under the dual task condition.In conclusion, the additional cognitive demand did not compromise predictive motor control during disturbed walking in the young and old participants. In contrast to the control group, the old dual task group featured a trend to predictive motor adjustments, which may be a result of a higher state of attention or arousal due to the dual task paradigm. Copyright © 2012 Elsevier Ltd. All rights reserved.

Efficient Strategies for Predictive Cell-Level Control of Lithium-Ion Batteries

NASA Astrophysics Data System (ADS)

Xavier, Marcelo A.

This dissertation introduces a set of state-space based model predictive control (MPC) algorithms tailored to a non-zero feedthrough term to account for the ohmic resistance that is inherent to the battery dynamics. MPC is herein applied to the problem of regulating cell-level measures of performance for lithium-ion batteries; the control methodologies are used first to compute a fast charging profile that respects input, output, and state constraints, i.e., input current, terminal voltage, and state of charge for an equivalent circuit model of the battery cell, and extended later to a linearized physics-based reduced-order model. The novelty of this work can summarized as follows: (1) the MPC variants are employed to a physics based reduce-order model in order to make use of the available set of internal electrochemical variables and mitigate internal mechanisms of cell degradation. (e.g., lithium plating); (2) we developed a dual-mode MPC closed-loop paradigm that suits the battery control problem with the objective of reducing computational effort by solving simpler optimization routines and guaranteeing stability; and finally (3) we developed a completely new approach of the use of a predictive control strategy where MPC is employed as a "smart sensor" for power estimation. Results are presented that show the comparative performance of the MPC algorithms for both EMC and PBROM These results highlight that dual-mode MPC can deliver optimal input current profiles by using a shorter horizon while still guaranteeing stability. Additionally, rigorous mathematical developments are presented for the development of the MPC algorithms. The use of MPC as a "smart sensor" presents it self as an appealing method for power estimation, since MPC permits a fully dynamic input profile that is able to achieve performance right at the proper constraint boundaries. Therefore, MPC is expected to produce accurate power limits for each computed sample time when compared to the Bisection method [1] which assumes constant input values over the prediction interval.

Low Power Operation of Temperature-Modulated Metal Oxide Semiconductor Gas Sensors.

PubMed

Burgués, Javier; Marco, Santiago

2018-01-25

Mobile applications based on gas sensing present new opportunities for low-cost air quality monitoring, safety, and healthcare. Metal oxide semiconductor (MOX) gas sensors represent the most prominent technology for integration into portable devices, such as smartphones and wearables. Traditionally, MOX sensors have been continuously powered to increase the stability of the sensing layer. However, continuous power is not feasible in many battery-operated applications due to power consumption limitations or the intended intermittent device operation. This work benchmarks two low-power, duty-cycling, and on-demand modes against the continuous power one. The duty-cycling mode periodically turns the sensors on and off and represents a trade-off between power consumption and stability. On-demand operation achieves the lowest power consumption by powering the sensors only while taking a measurement. Twelve thermally modulated SB-500-12 (FIS Inc. Jacksonville, FL, USA) sensors were exposed to low concentrations of carbon monoxide (0-9 ppm) with environmental conditions, such as ambient humidity (15-75% relative humidity) and temperature (21-27 °C), varying within the indicated ranges. Partial Least Squares (PLS) models were built using calibration data, and the prediction error in external validation samples was evaluated during the two weeks following calibration. We found that on-demand operation produced a deformation of the sensor conductance patterns, which led to an increase in the prediction error by almost a factor of 5 as compared to continuous operation (2.2 versus 0.45 ppm). Applying a 10% duty-cycling operation of 10-min periods reduced this prediction error to a factor of 2 (0.9 versus 0.45 ppm). The proposed duty-cycling powering scheme saved up to 90% energy as compared to the continuous operating mode. This low-power mode may be advantageous for applications that do not require continuous and periodic measurements, and which can tolerate slightly higher prediction errors.

Failure analysis of thick composite cylinders under external pressure

NASA Technical Reports Server (NTRS)

Caiazzo, A.; Rosen, B. W.

1992-01-01

Failure of thick section composites due to local compression strength and overall structural instability is treated. Effects of material nonlinearity, imperfect fiber architecture, and structural imperfections upon anticipated failure stresses are determined. Comparisons with experimental data for a series of test cylinders are described. Predicting the failure strength of composite structures requires consideration of stability and material strength modes of failure using linear and nonlinear analysis techniques. Material strength prediction requires the accurate definition of the local multiaxial stress state in the material. An elasticity solution for the linear static analysis of thick anisotropic cylinders and rings is used herein to predict the axisymmetric stress state in the cylinders. Asymmetric nonlinear behavior due to initial cylinder out of roundness and the effects of end closure structure are treated using finite element methods. It is assumed that local fiber or ply waviness is an important factor in the initiation of material failure. An analytical model for the prediction of compression failure of fiber composites, which includes the effects of fiber misalignments, matrix inelasticity, and multiaxial applied stresses is used for material strength calculations. Analytical results are compared to experimental data for a series of glass and carbon fiber reinforced epoxy cylinders subjected to external pressure. Recommendations for pretest characterization and other experimental issues are presented. Implications for material and structural design are discussed.

Mechanistic Analysis of Cocrystal Dissolution as a Function of pH and Micellar Solubilization

PubMed Central

2016-01-01

The purpose of this work is to provide a mechanistic understanding of the dissolution behavior of cocrystals under the influence of ionization and micellar solubilization. Mass transport models were developed by applying Fick’s law of diffusion to dissolution with simultaneous chemical reactions in the hydrodynamic boundary layer adjacent to the dissolving cocrystal surface to predict the pH at the dissolving solid–liquid interface (i.e., interfacial pH) and the flux of cocrystals. To evaluate the predictive power of these models, dissolution studies of carbamazepine–saccharin (CBZ-SAC) and carbamazepine–salicylic acid (CBZ-SLC) cocrystals were performed at varied pH and surfactant concentrations above the critical stabilization concentration (CSC), where the cocrystals were thermodynamically stable. The findings in this work demonstrate that the pH dependent dissolution behavior of cocrystals with ionizable components is dependent on interfacial pH. This mass transport analysis demonstrates the importance of pH, cocrystal solubility, diffusivity, and micellar solubilization on the dissolution rates of cocrystals. PMID:26877267

Mechanistic Analysis of Cocrystal Dissolution as a Function of pH and Micellar Solubilization.

PubMed

Cao, Fengjuan; Amidon, Gordon L; Rodriguez-Hornedo, Nair; Amidon, Gregory E

2016-03-07

The purpose of this work is to provide a mechanistic understanding of the dissolution behavior of cocrystals under the influence of ionization and micellar solubilization. Mass transport models were developed by applying Fick's law of diffusion to dissolution with simultaneous chemical reactions in the hydrodynamic boundary layer adjacent to the dissolving cocrystal surface to predict the pH at the dissolving solid-liquid interface (i.e., interfacial pH) and the flux of cocrystals. To evaluate the predictive power of these models, dissolution studies of carbamazepine-saccharin (CBZ-SAC) and carbamazepine-salicylic acid (CBZ-SLC) cocrystals were performed at varied pH and surfactant concentrations above the critical stabilization concentration (CSC), where the cocrystals were thermodynamically stable. The findings in this work demonstrate that the pH dependent dissolution behavior of cocrystals with ionizable components is dependent on interfacial pH. This mass transport analysis demonstrates the importance of pH, cocrystal solubility, diffusivity, and micellar solubilization on the dissolution rates of cocrystals.

Computational Study of Laminar Flow Control on a Subsonic Swept Wing Using Discrete Roughness Elements

NASA Technical Reports Server (NTRS)

Li, Fei; Choudhari, Meelan M.; Chang, Chau-Lyan; Streett, Craig L.; Carpenter, Mark H.

2011-01-01

A combination of parabolized stability equations and secondary instability theory has been applied to a low-speed swept airfoil model with a chord Reynolds number of 7.15 million, with the goals of (i) evaluating this methodology in the context of transition prediction for a known configuration for which roughness based crossflow transition control has been demonstrated under flight conditions and (ii) of analyzing the mechanism of transition delay via the introduction of discrete roughness elements (DRE). Roughness based transition control involves controlled seeding of suitable, subdominant crossflow modes, so as to weaken the growth of naturally occurring, linearly more unstable crossflow modes. Therefore, a synthesis of receptivity, linear and nonlinear growth of stationary crossflow disturbances, and the ensuing development of high frequency secondary instabilities is desirable to understand the experimentally observed transition behavior. With further validation, such higher fidelity prediction methodology could be utilized to assess the potential for crossflow transition control at even higher Reynolds numbers, where experimental data is currently unavailable.

Implementation and Test of the Automatic Flight Dynamics Operations for Geostationary Satellite Mission

NASA Astrophysics Data System (ADS)

Park, Sangwook; Lee, Young-Ran; Hwang, Yoola; Javier Santiago Noguero Galilea

2009-12-01

This paper describes the Flight Dynamics Automation (FDA) system for COMS Flight Dynamics System (FDS) and its test result in terms of the performance of the automation jobs. FDA controls the flight dynamics functions such as orbit determination, orbit prediction, event prediction, and fuel accounting. The designed FDA is independent from the specific characteristics which are defined by spacecraft manufacturer or specific satellite missions. Therefore, FDA could easily links its autonomous job control functions to any satellite mission control system with some interface modification. By adding autonomous system along with flight dynamics system, it decreases the operator’s tedious and repeated jobs but increase the usability and reliability of the system. Therefore, FDA is used to improve the completeness of whole mission control system’s quality. The FDA is applied to the real flight dynamics system of a geostationary satellite, COMS and the experimental test is performed. The experimental result shows the stability and reliability of the mission control operations through the automatic job control.

Roughness Based Crossflow Transition Control: A Computational Assessment

NASA Technical Reports Server (NTRS)

Li, Fei; Choudhari, Meelan M.; Chang, Chau-Lyan; Streett, Craig L.; Carpenter, Mark H.

2009-01-01

A combination of parabolized stability equations and secondary instability theory has been applied to a low-speed swept airfoil model with a chord Reynolds number of 7.15 million, with the goals of (i) evaluating this methodology in the context of transition prediction for a known configuration for which roughness based crossflow transition control has been demonstrated under flight conditions and (ii) of analyzing the mechanism of transition delay via the introduction of discrete roughness elements (DRE). Roughness based transition control involves controlled seeding of suitable, subdominant crossflow modes, so as to weaken the growth of naturally occurring, linearly more unstable crossflow modes. Therefore, a synthesis of receptivity, linear and nonlinear growth of stationary crossflow disturbances, and the ensuing development of high frequency secondary instabilities is desirable to understand the experimentally observed transition behavior. With further validation, such higher fidelity prediction methodology could be utilized to assess the potential for crossflow transition control at even higher Reynolds numbers, where experimental data is currently unavailable.

Aerodynamic Parameter Estimation for the X-43A (Hyper-X) from Flight Data

NASA Technical Reports Server (NTRS)

Morelli, Eugene A.; Derry, Stephen D.; Smith, Mark S.

2005-01-01

Aerodynamic parameters were estimated based on flight data from the third flight of the X-43A hypersonic research vehicle, also called Hyper-X. Maneuvers were flown using multiple orthogonal phase-optimized sweep inputs applied as simultaneous control surface perturbations at Mach 8, 7, 6, 5, 4, and 3 during the vehicle descent. Aerodynamic parameters, consisting of non-dimensional longitudinal and lateral stability and control derivatives, were estimated from flight data at each Mach number. Multi-step inputs at nearly the same flight conditions were also flown to assess the prediction capability of the identified models. Prediction errors were found to be comparable in magnitude to the modeling errors, which indicates accurate modeling. Aerodynamic parameter estimates were plotted as a function of Mach number, and compared with estimates from the pre-flight aerodynamic database, which was based on wind-tunnel tests and computational fluid dynamics. Agreement between flight estimates and values computed from the aerodynamic database was excellent overall.

Atomistic Design of Favored Compositions for Synthesizing the Al-Ni-Y Metallic Glasses

PubMed Central

Wang, Q.; Li, J. H.; Liu, J. B.; Liu, B. X.

2015-01-01

For a ternary alloy system promising for obtaining the so-called bulk metallic glasses (BMGs), the first priority issue is to predict the favored compositions, which could then serve as guidance for the appropriate alloy design. Taking the Al-Ni-Y system as an example, here we show an atomistic approach, which is developed based on a recently constructed and proven realistic interatomic potential of the system. Applying the Al-Ni-Y potential, series simulations not only clarify the glass formation mechanism, but also predict in the composition triangle, a hexagonal region, in which a disordered state, i.e., the glassy phase, is favored energetically. The predicted region is defined as glass formation region (GFR) for the ternary alloy system. Moreover, the approach is able to calculate an amorphization driving force (ADF) for each possible glassy alloy located within the GFR. The calculations predict an optimized sub-region nearby a stoichiometry of Al80Ni5Y15, implying that the Al-Ni-Y metallic glasses designed in the sub-region could be the most stable. Interestingly, the atomistic predictions are supported by experimental results observed in the Al-Ni-Y system. In addition, structural origin underlying the stability of the Al-Ni-Y metallic glasses is also discussed in terms of a hybrid packing mode in the medium-range scale. PMID:26592568

Atomistic Design of Favored Compositions for Synthesizing the Al-Ni-Y Metallic Glasses

NASA Astrophysics Data System (ADS)

Wang, Q.; Li, J. H.; Liu, J. B.; Liu, B. X.

2015-11-01

For a ternary alloy system promising for obtaining the so-called bulk metallic glasses (BMGs), the first priority issue is to predict the favored compositions, which could then serve as guidance for the appropriate alloy design. Taking the Al-Ni-Y system as an example, here we show an atomistic approach, which is developed based on a recently constructed and proven realistic interatomic potential of the system. Applying the Al-Ni-Y potential, series simulations not only clarify the glass formation mechanism, but also predict in the composition triangle, a hexagonal region, in which a disordered state, i.e., the glassy phase, is favored energetically. The predicted region is defined as glass formation region (GFR) for the ternary alloy system. Moreover, the approach is able to calculate an amorphization driving force (ADF) for each possible glassy alloy located within the GFR. The calculations predict an optimized sub-region nearby a stoichiometry of Al80Ni5Y15, implying that the Al-Ni-Y metallic glasses designed in the sub-region could be the most stable. Interestingly, the atomistic predictions are supported by experimental results observed in the Al-Ni-Y system. In addition, structural origin underlying the stability of the Al-Ni-Y metallic glasses is also discussed in terms of a hybrid packing mode in the medium-range scale.

Impulsive control of stochastic systems with applications in chaos control, chaos synchronization, and neural networks.

PubMed

Li, Chunguang; Chen, Luonan; Aihara, Kazuyuki

2008-06-01

Real systems are often subject to both noise perturbations and impulsive effects. In this paper, we study the stability and stabilization of systems with both noise perturbations and impulsive effects. In other words, we generalize the impulsive control theory from the deterministic case to the stochastic case. The method is based on extending the comparison method to the stochastic case. The method presented in this paper is general and easy to apply. Theoretical results on both stability in the pth mean and stability with disturbance attenuation are derived. To show the effectiveness of the basic theory, we apply it to the impulsive control and synchronization of chaotic systems with noise perturbations, and to the stability of impulsive stochastic neural networks. Several numerical examples are also presented to verify the theoretical results.

Model-based chatter stability prediction and detection for the turning of a flexible workpiece

NASA Astrophysics Data System (ADS)

Lu, Kaibo; Lian, Zisheng; Gu, Fengshou; Liu, Hunju

2018-02-01

Machining long slender workpieces still presents a technical challenge on the shop floor due to their low stiffness and damping. Regenerative chatter is a major hindrance in machining processes, reducing the geometric accuracies and dynamic stability of the cutting system. This study has been motivated by the fact that chatter occurrence is generally in relation to the cutting position in straight turning of slender workpieces, which has seldom been investigated comprehensively in literature. In the present paper, a predictive chatter model of turning a tailstock supported slender workpiece considering the cutting position change during machining is explored. Based on linear stability analysis and stiffness distribution at different cutting positions along the workpiece, the effect of the cutting tool movement along the length of the workpiece on chatter stability is studied. As a result, an entire stability chart for a single cutting pass is constructed. Through this stability chart the critical cutting condition and the chatter onset location along the workpiece in a turning operation can be estimated. The difference between the predicted tool locations and the experimental results was within 9% at high speed cutting. Also, on the basis of the predictive model the dynamic behavior during chatter that when chatter arises at some cutting location it will continue for a period of time until another specified location is arrived at, can be inferred. The experimental observation is in good agreement with the theoretical inference. In chatter detection respect, besides the delay strategy and overlap processing technique, a relative threshold algorithm is proposed to detect chatter by comparing the spectrum and variance of the acquired acceleration signals with the reference saved during stable cutting. The chatter monitoring method has shown reliability for various machining conditions.

Climate change impacts on lake thermal dynamics and ecosystem vulnerabilities

USGS Publications Warehouse

Sahoo, G. B; Forrest, A. L; Schladow, S. G ;; Reuter, J. E; Coats, R.; Dettinger, Michael

2016-01-01

Using water column temperature records collected since 1968, we analyzed the impacts of climate change on thermal properties, stability intensity, length of stratification, and deep mixing dynamics of Lake Tahoe using a modified stability index (SI). This new SI is easier to produce and is a more informative measure of deep lake stability than commonly used stability indices. The annual average SI increased at 16.62 kg/m2/decade although the summer (May–October) average SI increased at a higher rate (25.42 kg/m2/decade) during the period 1968–2014. This resulted in the lengthening of the stratification season by approximately 24 d. We simulated the lake thermal structure over a future 100 yr period using a lake hydrodynamic model driven by statistically downscaled outputs of the Geophysical Fluid Dynamics Laboratory Model (GFDL) for two different green house gas emission scenarios (the A2 in which greenhouse-gas emissions increase rapidly throughout the 21st Century, and the B1 in which emissions slow and then level off by the late 21st Century). The results suggest a continuation and intensification of the already observed trends. The length of stratification duration and the annual average lake stability are projected to increase by 38 d and 12 d and 30.25 kg/m2/decade and 8.66 kg/m2/decade, respectively for GFDLA2 and GFDLB1, respectively during 2014–2098. The consequences of this change bear the hallmarks of climate change induced lake warming and possible exacerbation of existing water quality, quantity and ecosystem changes. The developed methodology could be extended and applied to other lakes as a tool to predict changes in stratification and mixing dynamics.

Impact of natural and calcined starfish (Asterina pectinifera) on the stabilization of Pb, Zn and As in contaminated agricultural soil.

PubMed

Lim, Jung Eun; Sung, Jwa Kyung; Sarkar, Binoy; Wang, Hailong; Hashimoto, Yohey; Tsang, Daniel C W; Ok, Yong Sik

2017-04-01

Metal stabilization using soil amendments is an extensively applied, economically viable and environmentally friendly remediation technique. The stabilization of Pb, Zn and As in contaminated soils was evaluated using natural starfish (NSF) and calcined starfish (CSF) wastes at different application rates (0, 2.5, 5.0 and 10.0 wt%). An incubation study was conducted over 14 months, and the efficiency of stabilization for Pb, Zn and As in soil was evaluated by the toxicity characteristic leaching procedure (TCLP) test. The TCLP-extractable Pb was reduced by 76.3-100 and 91.2-100 % in soil treated with NSF and CSF, respectively. The TCLP-extractable Zn was also reduced by 89.8-100 and 93.2-100 % in soil treated with NSF and CSF, respectively. These reductions could be associated with the increased metal adsorption and the formation of insoluble metal precipitates due to increased soil pH following application of the amendments. However, the TCLP-extractable As was increased in the soil treated with NSF, possibly due to the competitive adsorption of phosphorous. In contrast, the TCLP-extractable As in the 10 % CSF treatment was not detectable because insoluble Ca-As compounds might be formed at high pH values. Thermodynamic modeling by visual MINTEQ predicted the formation of ettringite (Ca 6 Al 2 (SO 4 ) 3 (OH) 12 ·26H 2 O) and portlandite (Ca(OH) 2 ) in the 10 % CSF-treated soil, while SEM-EDS analysis confirmed the needle-like structure of ettringite in which Pb was incorporated and stabilized in the 10 % CSF treatment.

Stability analysis of rockmass using a hydrogeologic model of groundwater flow at an underground limestone mine in Korea

NASA Astrophysics Data System (ADS)

Baek, H.; Kim, D.; Kim, G.; Kim, D.; Cheong, S.

2017-12-01

The safety and environmental issues should be addressed for sustainable mining operations. One of the key factors is the groundwater flow into underground mine workings, which will affect the overall workability and efficiency of the mining operation. Prediction of the groundwater inflow requires a detailed knowledge of the geologic conditions, including the presence of major faults and other geologic structures at the mine site. The hydrologic boundaries and depth of the phreatic surface of the mine area, as well as other relevant properties of the rockmass, are also provided. The stability of underground structures, in terms of the maximum stresses and deformations within the rockmass, can be analyzed using either the total stress or the effective stress approaches. Both the dried and saturated conditions should be considered with appropriate safety factors, as the distribution of the water pressure within the rockmass resulted from the groundwater flow directly affects the stability. In some cases, the rockmass rating systems such as the RMR and Q-systems are also applied. Various numerical codes have been used to construct the hydrogeologic models of mine sites, and the MINEDW by Itasca is one of those groundwater flow model codes developed to simulate groundwater flow related to mining. In this study, with a 3D hydrogeologic model constructed using the MINEDW for an underground limestone mine, the rate of mine water inflow and the porewater pressure were estimated. The stability of mine pillars and adits was analyzed adopting the porewater pressure and effective stress developed in the rockmass. The results were also compared with those from other 2D stability analysis procedures.

The Development of a Handbook for Astrobee F Performance and Stability Analysis

NASA Technical Reports Server (NTRS)

Wolf, R. S.

1982-01-01

An astrobee F performance and stability analysis is presented, for use by the NASA Sounding Rocket Division. The performance analysis provides information regarding altitude, mach number, dynamic pressure, and velocity as functions of time since launch. It is found that payload weight has the greatest effect on performance, and performance prediction accuracy was calculated to remain within 1%. In addition, to assure sufficient flight stability, a predicted rigid-body static margin of at least 8% of the total vehicle length is required. Finally, fin cant angle predictions are given in order to achieve a 2.5 cycle per second burnout roll rate, based on obtaining 75% of the steady roll rate. It is noted that this method can be used by flight performance engineers to create a similar handbook for any sounding rocket series.