model yield theoretical: Topics by Science.gov

Sample records for model yield theoretical

A Theoretical Model for Estimation of Yield Strength of Fiber Metal Laminate

NASA Astrophysics Data System (ADS)

Bhat, Sunil; Nagesh, Suresh; Umesh, C. K.; Narayanan, S.

2017-08-01

The paper presents a theoretical model for estimation of yield strength of fiber metal laminate. Principles of elasticity and formulation of residual stress are employed to determine the stress state in metal layer of the laminate that is found to be higher than the stress applied over the laminate resulting in reduced yield strength of the laminate in comparison with that of the metal layer. The model is tested over 4A-3/2 Glare laminate comprising three thin aerospace 2014-T6 aluminum alloy layers alternately bonded adhesively with two prepregs, each prepreg built up of three uni-directional glass fiber layers laid in longitudinal and transverse directions. Laminates with prepregs of E-Glass and S-Glass fibers are investigated separately under uni-axial tension. Yield strengths of both the Glare variants are found to be less than that of aluminum alloy with use of S-Glass fiber resulting in higher laminate yield strength than with the use of E-Glass fiber. Results from finite element analysis and tensile tests conducted over the laminates substantiate the theoretical model.
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
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
Improved Crystal Quality by Detached Solidification in Microgravity

NASA Technical Reports Server (NTRS)

Regel, Liya L.; Wilcox, William R.

1999-01-01

Directional solidification in microgravity has often led to ingots that grew with little or no contact with the ampoule wall. When this occurred, crystallographic perfection was usually greatly improved -- often by several orders of magnitude. Unfortunately, until recently the true mechanisms underlying detached solidification were unknown. As a consequence, flight experiments yielded erratic results. Within the past four years, we have developed a new theoretical model that explains many of the flight results. This model gives rise to predictions of the conditions required to yield detached solidification, both in microgravity and on earth. A discussion of models of detachment, the meniscus models and results of theoretical modeling, and future plans are presented.
Measuring Experiential Avoidance: A Preliminary Test of a Working Model

ERIC Educational Resources Information Center

Hayes, Steven C.; Strosahl, Kirk; Wilson, Kelly G.; Bissett, Richard T.; Pistorello, Jacqueline; Toarmino, Dosheen; Polusny, Melissa A.; Dykstra, Thane A.; Batten, Sonja V.; Bergan, John; Stewart, Sherry H.; Zvolensky, Michael J.; Eifert, Georg H.; Bond, Frank W.; Forsyth, John P.; Karekla, Maria; Mccurry, Susan M.

2004-01-01

The present study describes the development of a short, general measure of experiential avoidance, based on a specific theoretical approach to this process. A theoretically driven iterative exploratory analysis using structural equation modeling on data from a clinical sample yielded a single factor comprising 9 items. A fully confirmatory factor…
Evolution, Nucleosynthesis, and Yields of Low-mass Asymptotic Giant Branch Stars at Different Metallicities. II. The FRUITY Database

NASA Astrophysics Data System (ADS)

Cristallo, S.; Piersanti, L.; Straniero, O.; Gallino, R.; Domínguez, I.; Abia, C.; Di Rico, G.; Quintini, M.; Bisterzo, S.

2011-12-01

By using updated stellar low-mass stars models, we systematically investigate the nucleosynthesis processes occurring in asymptotic giant branch (AGB) stars. In this paper, we present a database dedicated to the nucleosynthesis of AGB stars: FRANEC Repository of Updated Isotopic Tables & Yields (FRUITY). An interactive Web-based interface allows users to freely download the full (from H to Bi) isotopic composition, as it changes after each third dredge-up (TDU) episode and the stellar yields the models produce. A first set of AGB models, having masses in the range 1.5 <=M/M ⊙ <= 3.0 and metallicities 1 × 10-3 <= Z <= 2 × 10-2, is discussed. For each model, a detailed description of the physical and the chemical evolution is provided. In particular, we illustrate the details of the s-process and we evaluate the theoretical uncertainties due to the parameterization adopted to model convection and mass loss. The resulting nucleosynthesis scenario is checked by comparing the theoretical [hs/ls] and [Pb/hs] ratios to those obtained from the available abundance analysis of s-enhanced stars. On the average, the variation with the metallicity of these spectroscopic indexes is well reproduced by theoretical models, although the predicted spread at a given metallicity is substantially smaller than the observed one. Possible explanations for such a difference are briefly discussed. An independent check of the TDU efficiency is provided by the C-stars luminosity function. Consequently, theoretical C-stars luminosity functions for the Galactic disk and the Magellanic Clouds have been derived. We generally find good agreement with observations.
Particle yields from numerical simulations

NASA Astrophysics Data System (ADS)

Homor, Marietta M.; Jakovác, Antal

2018-04-01

In this paper we use numerical field theoretical simulations to calculate particle yields. We demonstrate that in the model of local particle creation the deviation from the pure exponential distribution is natural even in equilibrium, and an approximate Tsallis-Pareto-like distribution function can be well fitted to the calculated yields, in accordance with the experimental observations. We present numerical simulations in the classical Φ4 model as well as in the SU(3) quantum Yang-Mills theory to clarify this issue.
Criteria for Yielding of Dispersion-Strengthened Alloys

NASA Technical Reports Server (NTRS)

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

1960-01-01

A dislocation model is presented in order to account for the yield behavior of alloys with a finely dispersed second-phase. The criteria for yielding used in the model, is that appreciable yielding occurs in these alloys when the shear stress due to piled-up groups of dislocations is sufficient to fracture or plastically deform the dispersed second-phase particles, relieving the back stress on the dislocation sources. Equations derived on the basis of this model, predict that the yield stress of the alloys varies as the reciprocal square root of the mean free path between dispersed particles. Experimental data is presented for several SAP-Type alloys, precipitation-hardened alloys and steels which are in good agreement with the yield strength variation as a function of dispersion spacing predicted by this theoretical treatment.
VizieR Online Data Catalog: Stellar yields and the initial mass function (Molla+, 2015)

NASA Astrophysics Data System (ADS)

Molla, M.; Cavichia, O.; Gavilan, M.; Gibson, B. K.

2017-10-01

These tables give the theoretical chemical evolution models applied for the Milky Way Galaxy (MWG) from the cited paper. Basically give tables 2, 4 of stellar yields used and results of table 6 for the 144 models computed that work. Tables 2 and 4 give the stellar yields q_i(m) and remmnant mass for low and intermediate stars and massive stars, respectively, in a similar format for all authors. Table 6 gives the value of Chi2 for the 144 models computed for MWG using those stellar yields and different Initial Mass Function (see paper). Moreover, we give the table with results of the present time state of the Galactic disk for these 144 models. (12 data files).
Novel endophytic yeast Rhodotorula mucilaginosa strain PTD3 I: production of xylitol and ethanol.

PubMed

Bura, Renata; Vajzovic, Azra; Doty, Sharon L

2012-07-01

An endophytic yeast, Rhodotorula mucilaginosa strain PTD3, that was isolated from stems of hybrid poplar was found to be capable of production of xylitol from xylose, of ethanol from glucose, galactose, and mannose, and of arabitol from arabinose. The utilization of 30 g/L of each of the five sugars during fermentation by PTD3 was studied in liquid batch cultures. Glucose-acclimated PTD3 produced enhanced yields of xylitol (67% of theoretical yield) from xylose and of ethanol (84, 86, and 94% of theoretical yield, respectively) from glucose, galactose, and mannose. Additionally, this yeast was capable of metabolizing high concentrations of mixed sugars (150 g/L), with high yields of xylitol (61% of theoretical yield) and ethanol (83% of theoretical yield). A 1:1 glucose:xylose ratio with 30 g/L of each during double sugar fermentation did not affect PTD3's ability to produce high yields of xylitol (65% of theoretical yield) and ethanol (92% of theoretical yield). Surprisingly, the highest yields of xylitol (76% of theoretical yield) and ethanol (100% of theoretical yield) were observed during fermentation of sugars present in the lignocellulosic hydrolysate obtained after steam pretreatment of a mixture of hybrid poplar and Douglas fir. PTD3 demonstrated an exceptional ability to ferment the hydrolysate, overcome hexose repression of xylose utilization with a short lag period of 10 h, and tolerate sugar degradation products. In direct comparison, PTD3 had higher xylitol yields from the mixed sugar hydrolysate compared with the widely studied and used xylitol producer Candida guilliermondii.
Breed of cow and herd productivity affect milk nutrient recovery in curd, and cheese yield, efficiency and daily production.

PubMed

Stocco, G; Cipolat-Gotet, C; Gasparotto, V; Cecchinato, A; Bittante, G

2018-02-01

Little is known about cheese-making efficiency at the individual cow level, so our objective was to study the effects of herd productivity, individual herd within productivity class and breed of cow within herd by producing, then analyzing, 508 model cheeses from the milk of 508 cows of six different breeds reared in 41 multi-breed herds classified into two productivity classes (high v. low). For each cow we obtained six milk composition traits; four milk nutrient (fat, protein, solids and energy) recovery traits (REC) in curd; three actual % cheese yield traits (%CY); two theoretical %CYs (fresh cheese and cheese solids) calculated from milk composition; two overall cheese-making efficiencies (% ratio of actual to theoretical %CYs); daily milk yield (dMY); and three actual daily cheese yield traits (dCY). The aforementioned phenotypes were analyzed using a mixed model which included the fixed effects of herd productivity, parity, days in milk (DIM) and breed; the random effects were the water bath, vat, herd and residual. Cows reared in high-productivity herds yielded more milk with higher nutrient contents and more cheese per day, had greater theoretical %CY, and lower cheese-making efficiency than low-productivity herds, but there were no differences between them in terms of REC traits. Individual herd within productivity class was an intermediate source of total variation in REC, %CY and efficiency traits (10.0% to 17.2%), and a major source of variation in milk yield and dCY traits (43.1% to 46.3%). Parity of cows was an important source of variation for productivity traits, whereas DIM affected almost all traits. Breed within herd greatly affected all traits. Holsteins produced more milk, but Brown Swiss cows produced milk with higher actual and theoretical %CYs and cheese-making efficiency, so that the two large-framed breeds had the same dCY. Compared with the two large-framed breeds, the small Jersey cows produced much less milk, but with greater actual and theoretical %CYs, similar efficiencies and a slightly lower dCY. Compared with the average of the specialized dairy breeds, the three dual-purpose breeds (Simmental and the local Rendena and Alpine Grey) had, on average, similar dMY, lower actual and theoretical %CY, similar fat and protein REC, and slightly greater cheese-making efficiency.
Origins of hydrodynamic forces on centrifugal pump impellers

NASA Technical Reports Server (NTRS)

Adkins, Douglas R.; Brennen, Christopher E.

1987-01-01

Hydrodynamic interactions that occur between a centrifugal pump impeller and volute are experimentally and theoretically investigated. The theoretical analysis considers the inability of the blades to perfectly guide the flow through the impeller, and also includes a quasi-one dimensional treatment of the flow in the volute. The disturbance at the impeller discharge and the resulting forces are determined by the theoretical model. The model is then extended to obtain the hydrodynamic force perturbations that are caused by the impeller whirling eccentrically in the volute. Under many operating conditions, these force perturbations were found to be destablizing. Comparisons are made between the theoretical model and the experimental measurements of pressure distributions and radial forces on the impeller. The theoretical model yields fairly accurate predictions of the radial forces caused by the flow through the impeller. However, it was found that the pressure acting on the front shroud of the impeller has a substantial effect on the destablizing hydrodynamic forces.
Biogas production from Pongamia biomass wastes and a model to estimate biodegradability from their composition.

PubMed

Gunaseelan, Victor Nallathambi

2014-02-01

In this study, I investigated the chemical characteristics, biochemical methane potential, conversion kinetics and biodegradability of untreated and NaOH-treated Pongamia plant parts, and pod husk and press cake from the biodiesel industry to evaluate their suitability as an alternative feedstock for biogas production. The untreated Pongamia seeds exhibited the maximum CH4 yield of 473 ml g (-1) volatile solid (VS) added. Yellow, withered leaves gave a yield as low as 122 ml CH4 g (-1) VS added. There were significant variations in the CH4 production rate constants, which ranged from 0.02 to 0.15 d (-1), and biodegradability, which ranged from 0.25 to 0.98. NaOH treatment of leaf and pod husk, which were highly rich in fibers, increased the yields by 15-22% and CH4 production rate constants by 20-75%. Utilization of Pongamia wastes in biogas digesters not only influences the economics of biodiesel production but also yields CH4 fuel and protects the environment. The experimental data from this study were used to develop a multiple regression model, which could estimate biodegradability based on biochemical characteristics. The model predicted the biodegradability of previously published biomass wastes (r(2) = 0.88) from their biochemical composition. The theoretical CH4 yields estimated as 350 ml g(-1) chemical oxygen demand destroyed are much higher than the experimental yields as 100% biodegradability is assumed for each substrate. Upon correcting the theoretical CH4 yields with biodegradability data obtained from chemical analyses of substrates, their ultimate CH4 yields could be predicted rapidly.
Energy balance and mass conservation in reduced order models of fluid flows

NASA Astrophysics Data System (ADS)

Mohebujjaman, Muhammad; Rebholz, Leo G.; Xie, Xuping; Iliescu, Traian

2017-10-01

In this paper, we investigate theoretically and computationally the conservation properties of reduced order models (ROMs) for fluid flows. Specifically, we investigate whether the ROMs satisfy the same (or similar) energy balance and mass conservation as those satisfied by the Navier-Stokes equations. All of our theoretical findings are illustrated and tested in numerical simulations of a 2D flow past a circular cylinder at a Reynolds number Re = 100. First, we investigate the ROM energy balance. We show that using the snapshot average for the centering trajectory (which is a popular treatment of nonhomogeneous boundary conditions in ROMs) yields an incorrect energy balance. Then, we propose a new approach, in which we replace the snapshot average with the Stokes extension. Theoretically, the Stokes extension produces an accurate energy balance. Numerically, the Stokes extension yields more accurate results than the standard snapshot average, especially for longer time intervals. Our second contribution centers around ROM mass conservation. We consider ROMs created using two types of finite elements: the standard Taylor-Hood (TH) element, which satisfies the mass conservation weakly, and the Scott-Vogelius (SV) element, which satisfies the mass conservation pointwise. Theoretically, the error estimates for the SV-ROM are sharper than those for the TH-ROM. Numerically, the SV-ROM yields significantly more accurate results, especially for coarser meshes and longer time intervals.
Universality and depinning models for plastic yield in amorphous materials

NASA Astrophysics Data System (ADS)

Budrikis, Zoe; Fernandez Castellano, David; Sandfeld, Stefan; Zaiser, Michael; Zapperi, Stefano

Plastic yield in amorphous materials occurs as a result of complex collective dynamics of local reorganizations, which gives rise to rich phenomena such as strain localization, intermittent dynamics and power-law distributed avalanches. While such systems have received considerable attention, both theoretical and experimental, controversy remains over the nature of the yielding transition. We present a new fully-tensorial coarsegrained model in 2D and 3D, and demonstrate that the exponents describing avalanche distributions are universal under a variety of loading conditions, system dimensionality and size, and boundary conditions. Our results show that while depinning-type models in general are apt to describe the system, mean field depinning models are not.
An Improvement of the Anisotropy and Formability Predictions of Aluminum Alloy Sheets

NASA Astrophysics Data System (ADS)

Banabic, D.; Comsa, D. S.; Jurco, P.; Wagner, S.; Vos, M.

2004-06-01

The paper presents an yield criterion for orthotropic sheet metals and its implementation in a theoretical model in order to calculate the Forming Limit Curves. The proposed yield criterion has been validated for two aluminum alloys: AA3103-0 and AA5182-0, respectively. The biaxial tensile test of cross specimens has been used for the determination of the experimental yield locus. The new yield criterion has been implemented in the Marciniak-Kuczynski model for the calculus of limit strains. The calculated Forming Limit Curves have been compared with the experimental ones, determined by frictionless test: bulge test, plane strain test and uniaxial tensile test. The predicted Forming Limit Curves using the new yield criterion are in good agreement with the experimental ones.
Ignition and combustion characteristics of metallized propellants

NASA Technical Reports Server (NTRS)

Mueller, D. C.; Turns, Stephen R.

1991-01-01

Over the past six months, experimental investigations were continued and theoretical work on the secondary atomization process was begun. Final shakedown of the sizing/velocity measuring system was completed and the aluminum combustion detection system was modified and tested. Atomizer operation was improved to allow steady state operation over long periods of time for several slurries. To validate the theoretical modeling, work involving carbon slurry atomization and combustion was begun and qualitative observations were made. Simultaneous measurements of aluminum slurry droplet size distributions and detection of burning aluminum particles were performed at several axial locations above the burner. The principle theoretical effort was the application of a rigid shell formation model to aluminum slurries and an investigation of the effects of various parameters on the shell formation process. This shell formation model was extended to include the process leading up to droplet disruption, and previously developed analytical models were applied to yield theoretical aluminum agglomerate ignition and combustion times. The several theoretical times were compared with the experimental results.
Metallicity Differences in Type Ia Supernova Progenitors Inferred from Ultraviolet Spectra

NASA Astrophysics Data System (ADS)

Foley, Ryan J.; Kirshner, Robert P.

2013-05-01

Two "twin" Type Ia supernovae (SNe Ia), SNe 2011by and 2011fe, have extremely similar optical light-curve shapes, colors, and spectra, yet have different ultraviolet (UV) continua as measured in Hubble Space Telescope spectra and measurably different peak luminosities. We attribute the difference in the UV continua to significantly different progenitor metallicities. This is the first robust detection of different metallicities for SN Ia progenitors. Theoretical reasoning suggests that differences in metallicity also lead to differences in luminosity. SNe Ia with higher progenitor metallicities have lower 56Ni yields and lower luminosities for the same light-curve shape. SNe 2011by and 2011fe have different peak luminosities (ΔMV ≈ 0.6 mag), which correspond to different 56Ni yields: M_11fe(^{56}Ni) / M_11by(^{56}Ni) = 1.7^{+0.7}_{-0.5}. From theoretical models that account for different neutron-to-proton ratios in progenitors, the differences in 56Ni yields for SNe 2011by and 2011fe imply that their progenitor stars were above and below solar metallicity, respectively. Although we can distinguish progenitor metallicities in a qualitative way from UV data, the quantitative interpretation in terms of abundances is limited by the present state of theoretical models.
A mechanistic investigation of the algae growth "Droop" model.

PubMed

Lemesle, V; Mailleret, L

2008-06-01

In this work a mechanistic explanation of the classical algae growth model built by M. R. Droop in the late sixties is proposed. We first recall the history of the construction of the "predictive" variable yield Droop model as well as the meaning of the introduced cell quota. We then introduce some theoretical hypotheses on the biological phenomena involved in nutrient storage by the algae that lead us to a "conceptual" model. Though more complex than Droop's one, our model remains accessible to a complete mathematical study: its confrontation to the Droop model shows both have the same asymptotic behavior. However, while Droop's cell quota comes from experimental bio-chemical measurements not related to intra-cellular biological phenomena, its analogous in our model directly follows our theoretical hypotheses. This new model should then be looked at as a re-interpretation of Droop's work from a theoretical biologist's point of view.
An Interdisciplinary Approach to Predictive Modeling of Structural Adhesive Bonding. Factors Affecting the Durability of Titanium/Epoxy Bonds.

DTIC Science & Technology

1987-10-01

durability test at 800 C, 95% r.h. 71 SEM photomicrograph at 1600 x of E-8385 film spun coat . from a 2 wt% solution onto a ferrotype plate. .I 72 Theoretical ...TiO2 to the high energy side. While Auger line shapes theoretically yield oxidation state information, stoichiometry conclusions from experi- 0 mental...the justification for the methods chosen in this work. ,*p-* ., Fadley et al. [37] present a detailed theoretical discussion on quantitative XPS

Effect of Anisotropic Yield Function Evolution on Estimation of Forming Limit Diagram

NASA Astrophysics Data System (ADS)

Bandyopadhyay, K.; Basak, S.; Choi, H. J.; Panda, S. K.; Lee, M. G.

2017-09-01

In case of theoretical prediction of the FLD, the variations in yield stress and R-values along different material directions, were long been implemented to enhance the accuracy. Although influences of different yield models and hardening laws on formability were well addressed, anisotropic evolution of yield loci under monotonic loading with different deformation modes is yet to be explored. In the present study, Marciniak-Kuckzinsky (M-K) model was modified to incorporate the change in the shape of the initial yield function with evolution due to anisotropic hardening. Swift’s hardening law along with two different anisotropic yield criteria, namely Hill48 and Yld2000-2d were implemented in the model. The Hill48 yield model was applied with non-associated flow rule to comprehend the effect of variations in both yield stress and R-values. The numerically estimated FLDs were validated after comparing with FLD evaluated through experiments. A low carbon steel was selected, and hemispherical punch stretching test was performed for FLD evaluation. Additionally, the numerically estimated FLDs were incorporated in FE simulations to predict limiting dome heights for validation purpose. Other formability performances like strain distributions over the deformed cup surface were validated with experimental results.
Water and Temperature Stresses Impact Canola (Brassica napus L.) Fatty Acid, Protein, and Yield over Nitrogen and Sulfur.

PubMed

Hammac, W Ashley; Maaz, Tai M; Koenig, Richard T; Burke, Ian C; Pan, William L

2017-12-06

Interactive effects of weather and soil nutrient status often control crop productivity. An experiment was conducted to determine effects of nitrogen (N) and sulfur (S) fertilizer rate, soil water, and atmospheric temperature on canola (Brassica napus L.) fatty acid (FA), total oil, protein, and grain yield. Nitrogen and sulfur were assessed in a 4-yr study with two locations, five N rates (0, 45, 90, 135, and 180 kg ha -1 ), and two S rates (0 and 17 kg ha -1 ). Water and temperature were assessed using variability across 12 site-years of dryland canola production. Effects of N and S were inconsistent. Unsaturated FA, oleic acid, grain oil, protein, and theoretical maximum grain yield were highly related to water and temperature variability across the site-years. A nonlinear model identified water and temperature conditions that enabled production of maximum unsaturated FA content, oleic acid content, total oil, protein, and theoretical maximum grain yield. Water and temperature variability played a larger role than soil nutrient status on canola grain constituents and yield.
The theoretical limit to plant productivity.

PubMed

DeLucia, Evan H; Gomez-Casanovas, Nuria; Greenberg, Jonathan A; Hudiburg, Tara W; Kantola, Ilsa B; Long, Stephen P; Miller, Adam D; Ort, Donald R; Parton, William J

2014-08-19

Human population and economic growth are accelerating the demand for plant biomass to provide food, fuel, and fiber. The annual increment of biomass to meet these needs is quantified as net primary production (NPP). Here we show that an underlying assumption in some current models may lead to underestimates of the potential production from managed landscapes, particularly of bioenergy crops that have low nitrogen requirements. Using a simple light-use efficiency model and the theoretical maximum efficiency with which plant canopies convert solar radiation to biomass, we provide an upper-envelope NPP unconstrained by resource limitations. This theoretical maximum NPP approached 200 tC ha(-1) yr(-1) at point locations, roughly 2 orders of magnitude higher than most current managed or natural ecosystems. Recalculating the upper envelope estimate of NPP limited by available water reduced it by half or more in 91% of the land area globally. While the high conversion efficiencies observed in some extant plants indicate great potential to increase crop yields without changes to the basic mechanism of photosynthesis, particularly for crops with low nitrogen requirements, realizing such high yields will require improvements in water use efficiency.
Theoretical modeling of yields for proton-induced reactions on natural and enriched molybdenum targets.

PubMed

Celler, A; Hou, X; Bénard, F; Ruth, T

2011-09-07

Recent acute shortage of medical radioisotopes prompted investigations into alternative methods of production and the use of a cyclotron and ¹⁰⁰Mo(p,2n)(99m)Tc reaction has been considered. In this context, the production yields of (99m)Tc and various other radioactive and stable isotopes which will be created in the process have to be investigated, as these may affect the diagnostic outcome and radiation dosimetry in human studies. Reaction conditions (beam and target characteristics, and irradiation and cooling times) need to be optimized in order to maximize the amount of (99m)Tc and minimize impurities. Although ultimately careful experimental verification of these conditions must be performed, theoretical calculations can provide the initial guidance allowing for extensive investigations at little cost. We report the results of theoretically determined reaction yields for (99m)Tc and other radioactive isotopes created when natural and enriched molybdenum targets are irradiated by protons. The cross-section calculations were performed using a computer program EMPIRE for the proton energy range 6-30 MeV. A computer graphical user interface for automatic calculation of production yields taking into account various reaction channels leading to the same final product has been created. The proposed approach allows us to theoretically estimate the amount of (99m)Tc and its ratio relative to (99g)Tc and other radioisotopes which must be considered reaction contaminants, potentially contributing to additional patient dose in diagnostic studies.
The limits of crop productivity: validating theoretical estimates and determining the factors that limit crop yields in optimal environments

NASA Technical Reports Server (NTRS)

Bugbee, B.; Monje, O.

1992-01-01

Plant scientists have sought to maximize the yield of food crops since the beginning of agriculture. There are numerous reports of record food and biomass yields (per unit area) in all major crop plants, but many of the record yield reports are in error because they exceed the maximal theoretical rates of the component processes. In this article, we review the component processes that govern yield limits and describe how each process can be individually measured. This procedure has helped us validate theoretical estimates and determine what factors limit yields in optimal environments.
A Multiscale Model for the Quasi-Static Thermo-Plastic Behavior of Highly Cross-Linked Glassy Polymers

DOE PAGES

Vu-Bac, N.; Bessa, M. A.; Rabczuk, Timon; ...

2015-09-10

In this paper, we present experimentally validated molecular dynamics predictions of the quasi- static yield and post-yield behavior for a highly cross-linked epoxy polymer under gen- eral stress states and for different temperatures. In addition, a hierarchical multiscale model is presented where the nano-scale simulations obtained from molecular dynamics were homogenized to a continuum thermoplastic constitutive model for the epoxy that can be used to describe the macroscopic behavior of the material. Three major conclusions were achieved: (1) the yield surfaces generated from the nano-scale model for different temperatures agree well with the paraboloid yield crite- rion, supporting previous macroscopicmore » experimental observations; (2) rescaling of the entire yield surfaces to the quasi-static case is possible by considering Argon’s theoretical predictions for pure compression of the polymer at absolute zero temperature; (3) nano- scale simulations can be used for an experimentally-free calibration of macroscopic con- tinuum models, opening new avenues for the design of materials and structures through multi-scale simulations that provide structure-property-performance relationships.« less
Theoretical and experimental aspects of chaos control by time-delayed feedback.

PubMed

Just, Wolfram; Benner, Hartmut; Reibold, Ekkehard

2003-03-01

We review recent developments for the control of chaos by time-delayed feedback methods. While such methods are easily applied even in quite complex experimental context the theoretical analysis yields infinite-dimensional differential-difference systems which are hard to tackle. The essential ideas for a general theoretical approach are sketched and the results are compared to electronic circuits and to high power ferromagnetic resonance experiments. Our results show that the control performance can be understood on the basis of experimentally accessible quantities without resort to any model for the internal dynamics.
The fluid trampoline: droplets bouncing on a soap film

NASA Astrophysics Data System (ADS)

Bush, John; Gilet, Tristan

2008-11-01

We present the results of a combined experimental and theoretical investigation of droplets falling onto a horizontal soap film. Both static and vertically vibrated soap films are considered. A quasi-static description of the soap film shape yields a force-displacement relation that provides excellent agreement with experiment, and allows us to model the film as a nonlinear spring. This approach yields an accurate criterion for the transition between droplet bouncing and crossing on the static film; moreover, it allows us to rationalize the observed constancy of the contact time and scaling for the coefficient of restitution in the bouncing states. On the vibrating film, a variety of bouncing behaviours were observed, including simple and complex periodic states, multiperiodicity and chaos. A simple theoretical model is developed that captures the essential physics of the bouncing process, reproducing all observed bouncing states. Quantitative agreement between model and experiment is deduced for simple periodic modes, and qualitative agreement for more complex periodic and chaotic bouncing states.
A theoretical framework for constructing elastic/plastic constitutive models of triaxial tests

NASA Astrophysics Data System (ADS)

Collins, Ian F.; Hilder, Tamsyn

2002-11-01

Modern ideas of thermomechanics are used to develop families of models describing the elastic/plastic behaviour of cohesionless soils deforming under triaxial conditions. Once the form of the free energy and dissipation potential functions have been specified, the corresponding yield loci, flow rules, isotropic and kinematic hardening rules as well as the elasticity law are deduced in a systematic manner. The families contain the classical linear frictional (Coulomb type) models and the classical critical state models as special cases. The generalized models discussed here include non-associated flow rules, shear as well as volumetric hardening, anisotropic responses and rotational yield loci. The various parameters needed to describe the models can be interpreted in terms of ratio of the plastic work, which is dissipated, to that which is stored. Non-associated behaviour is found to occur whenever this division between dissipated and stored work is not equal. Micro-level interpretations of stored plastic work are discussed. The models automatically satisfy the laws of thermodynamics, and there is no need to invoke any stability postulates. Some classical forms of the peak-strength/dilatancy relationship are established theoretically. Some representative drained and undrained paths are computed.
Electromagnetic Compatibility Testing Studies

NASA Technical Reports Server (NTRS)

Trost, Thomas F.; Mitra, Atindra K.

1996-01-01

This report discusses the results on analytical models and measurement and simulation of statistical properties from a study of microwave reverberation (mode-stirred) chambers performed at Texas Tech University. Two analytical models of power transfer vs. frequency in a chamber, one for antenna-to-antenna transfer and the other for antenna to D-dot sensor, were experimentally validated in our chamber. Two examples are presented of the measurement and calculation of chamber Q, one for each of the models. Measurements of EM power density validate a theoretical probability distribution on and away from the chamber walls and also yield a distribution with larger standard deviation at frequencies below the range of validity of the theory. Measurements of EM power density at pairs of points which validate a theoretical spatial correlation function on the chamber walls and also yield a correlation function with larger correlation length, R(sub corr), at frequencies below the range of validity of the theory. A numerical simulation, employing a rectangular cavity with a moving wall shows agreement with the measurements. The determination that the lowest frequency at which the theoretical spatial correlation function is valid in our chamber is considerably higher than the lowest frequency recommended by current guidelines for utilizing reverberation chambers in EMC testing. Two suggestions have been made for future studies related to EMC testing.
Photonuclear reactions on the cadmium isotopes {sup 106,108}Cd at the bremsstrahlung endpoint energy of 55.5 MeV

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

Belyshev, S. S.; Kuznetsov, A. A.; Stopani, K. A., E-mail: hatta@depni.sinp.msu.ru

The gamma-activation technique was used to measure the absolute yields of photonuclear reactions on the cadmium isotopes {sup 106,108}Cd. The results obtained in this way were compared with the results of the calculations based on the statistical model. For reactions on the isotope {sup 108}Cd, agreement between these theoretical and experimental results is good, but the experimental ratio of the yields of photoproton and photoneutron reactions on the isotope {sup 106}Cd differs substantially from its theoretical counterpart. The results of our present study are discussed from the point of view of the production of bypassed nuclei in the p-process ofmore » nucleosynthesis.« less
Precipitation-runoff modeling system; user's manual

USGS Publications Warehouse

Leavesley, G.H.; Lichty, R.W.; Troutman, B.M.; Saindon, L.G.

1983-01-01

The concepts, structure, theoretical development, and data requirements of the precipitation-runoff modeling system (PRMS) are described. The precipitation-runoff modeling system is a modular-design, deterministic, distributed-parameter modeling system developed to evaluate the impacts of various combinations of precipitation, climate, and land use on streamflow, sediment yields, and general basin hydrology. Basin response to normal and extreme rainfall and snowmelt can be simulated to evaluate changes in water balance relationships, flow regimes, flood peaks and volumes, soil-water relationships, sediment yields, and groundwater recharge. Parameter-optimization and sensitivity analysis capabilites are provided to fit selected model parameters and evaluate their individual and joint effects on model output. The modular design provides a flexible framework for continued model system enhancement and hydrologic modeling research and development. (Author 's abstract)
A mathematical framework for yield (vs. rate) optimization in constraint-based modeling and applications in metabolic engineering.

PubMed

Klamt, Steffen; Müller, Stefan; Regensburger, Georg; Zanghellini, Jürgen

2018-05-01

The optimization of metabolic rates (as linear objective functions) represents the methodical core of flux-balance analysis techniques which have become a standard tool for the study of genome-scale metabolic models. Besides (growth and synthesis) rates, metabolic yields are key parameters for the characterization of biochemical transformation processes, especially in the context of biotechnological applications. However, yields are ratios of rates, and hence the optimization of yields (as nonlinear objective functions) under arbitrary linear constraints is not possible with current flux-balance analysis techniques. Despite the fundamental importance of yields in constraint-based modeling, a comprehensive mathematical framework for yield optimization is still missing. We present a mathematical theory that allows one to systematically compute and analyze yield-optimal solutions of metabolic models under arbitrary linear constraints. In particular, we formulate yield optimization as a linear-fractional program. For practical computations, we transform the linear-fractional yield optimization problem to a (higher-dimensional) linear problem. Its solutions determine the solutions of the original problem and can be used to predict yield-optimal flux distributions in genome-scale metabolic models. For the theoretical analysis, we consider the linear-fractional problem directly. Most importantly, we show that the yield-optimal solution set (like the rate-optimal solution set) is determined by (yield-optimal) elementary flux vectors of the underlying metabolic model. However, yield- and rate-optimal solutions may differ from each other, and hence optimal (biomass or product) yields are not necessarily obtained at solutions with optimal (growth or synthesis) rates. Moreover, we discuss phase planes/production envelopes and yield spaces, in particular, we prove that yield spaces are convex and provide algorithms for their computation. We illustrate our findings by a small example and demonstrate their relevance for metabolic engineering with realistic models of E. coli. We develop a comprehensive mathematical framework for yield optimization in metabolic models. Our theory is particularly useful for the study and rational modification of cell factories designed under given yield and/or rate requirements. Copyright © 2018 The Authors. Published by Elsevier Inc. All rights reserved.
Photoionization and Recombination

NASA Technical Reports Server (NTRS)

Nahar, Sultana N.

2000-01-01

Theoretically self-consistent calculations for photoionization and (e + ion) recombination are described. The same eigenfunction expansion for the ion is employed in coupled channel calculations for both processes, thus ensuring consistency between cross sections and rates. The theoretical treatment of (e + ion) recombination subsumes both the non-resonant recombination ("radiative recombination"), and the resonant recombination ("di-electronic recombination") processes in a unified scheme. In addition to the total, unified recombination rates, level-specific recombination rates and photoionization cross sections are obtained for a large number of atomic levels. Both relativistic Breit-Pauli, and non-relativistic LS coupling, calculations are carried out in the close coupling approximation using the R-matrix method. Although the calculations are computationally intensive, they yield nearly all photoionization and recombination parameters needed for astrophysical photoionization models with higher precision than hitherto possible, estimated at about 10-20% from comparison with experimentally available data (including experimentally derived DR rates). Results are electronically available for over 40 atoms and ions. Photoionization and recombination of He-, and Li-like C and Fe are described for X-ray modeling. The unified method yields total and complete (e+ion) recombination rate coefficients, that can not otherwise be obtained theoretically or experimentally.
Energy transport in weakly nonlinear wave systems with narrow frequency band excitation.

PubMed

Kartashova, Elena

2012-10-01

A novel discrete model (D model) is presented describing nonlinear wave interactions in systems with small and moderate nonlinearity under narrow frequency band excitation. It integrates in a single theoretical frame two mechanisms of energy transport between modes, namely, intermittency and energy cascade, and gives the conditions under which each regime will take place. Conditions for the formation of a cascade, cascade direction, conditions for cascade termination, etc., are given and depend strongly on the choice of excitation parameters. The energy spectra of a cascade may be computed, yielding discrete and continuous energy spectra. The model does not require statistical assumptions, as all effects are derived from the interaction of distinct modes. In the example given-surface water waves with dispersion function ω(2)=gk and small nonlinearity-the D model predicts asymmetrical growth of side-bands for Benjamin-Feir instability, while the transition from discrete to continuous energy spectrum, excitation parameters properly chosen, yields the saturated Phillips' power spectrum ~g(2)ω(-5). The D model can be applied to the experimental and theoretical study of numerous wave systems appearing in hydrodynamics, nonlinear optics, electrodynamics, plasma, convection theory, etc.
Selected Topics on Hadronic B Decays From BaBar

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

Suzuki, K.; /SLAC

Recent measurements of branching fractions and decay-rate asymmetries in charmless hadronic B decays at the BaBar experiment are presented. The selected topics include Dalitz plot analyses of B {yields} K{sup +} {pi}{sup -}{pi} and signal searches in B {yields} PP and PV, where isoscalar mesons are involved, and in B {yields} b{sub 1}P, P and V denote a pseudoscalar and vector meson, respectively. Several measurements in charmless hadronic B decays have indicated possible deviations from the theoretical predictions within the Standard Model. The measurements presented would contribute to searching for and resolving such puzzles.
Comparing Supply-Side Specifications in Models of Global Agriculture and the Food System

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

Robinson, Sherman; van Meijl, Hans; Willenbockel, Dirk

This paper compares the theoretical specification of production and technical change across the partial equilibrium (PE) and computable general equilibrium (CGE) models of the global agricultural and food system included in the AgMIP model comparison study. The two modeling approaches have different theoretical underpinnings concerning the scope of economic activity they capture and how they represent technology and the behavior of supply and demand in markets. This paper focuses on their different specifications of technology and supply behavior, comparing their theoretical and empirical treatments. While the models differ widely in their specifications of technology, both within and between the PEmore » and CGE classes of models, we find that the theoretical responsiveness of supply to changes in prices can be similar, depending on parameter choices that define the behavior of supply functions over the domain of applicability defined by the common scenarios used in the AgMIP comparisons. In particular, we compare the theoretical specification of supply in CGE models with neoclassical production functions and PE models that focus on land and crop yields in agriculture. In practice, however, comparability of results given parameter choices is an empirical question, and the models differ in their sensitivity to variations in specification. To illustrate the issues, sensitivity analysis is done with one global CGE model, MAGNET, to indicate how the results vary with different specification of technical change, and how they compare with the results from PE models.« less
GEANT4 simulation of cyclotron radioisotope production in a solid target.

PubMed

Poignant, F; Penfold, S; Asp, J; Takhar, P; Jackson, P

2016-05-01

The use of radioisotopes in nuclear medicine is essential for diagnosing and treating cancer. The optimization of their production is a key factor in maximizing the production yield and minimizing the associated costs. An efficient approach to this problem is the use of Monte Carlo simulations prior to experimentation. By predicting isotopes yields, one can study the isotope of interest expected activity for different energy ranges. One can also study the target contamination with other radioisotopes, especially undesired radioisotopes of the wanted chemical element which are difficult to separate from the irradiated target and might result in increasing the dose when delivering the radiopharmaceutical product to the patient. The aim of this work is to build and validate a Monte Carlo simulation platform using the GEANT4 toolkit to model the solid target system of the South Australian Health and Medical Research Institute (SAHMRI) GE Healthcare PETtrace cyclotron. It includes a GEANT4 Graphical User Interface (GUI) where the user can modify simulation parameters such as the energy, shape and current of the proton beam, the target geometry and material, the foil geometry and material and the time of irradiation. The paper describes the simulation and presents a comparison of simulated and experimental/theoretical yields for various nuclear reactions on an enriched nickel 64 target using the GEANT4 physics model QGSP_BIC_AllHP, a model recently developed to evaluate with high precision the interaction of protons with energies below 200MeV available in Geant4 version 10.1. The simulation yield of the (64)Ni(p,n)(64)Cu reaction was found to be 7.67±0.074 mCi·μA(-1) for a target energy range of 9-12MeV. Szelecsenyi et al. (1993) gives a theoretical yield of 6.71mCi·μA(-1) and an experimental yield of 6.38mCi·μA(-1). The (64)Ni(p,n)(64)Cu cross section obtained with the simulation was also verified against the yield predicted from the nuclear database TENDL and compared to experimental yield obtained from literature. Copyright © 2016 Associazione Italiana di Fisica Medica. All rights reserved.
Time-dependent Electron Acceleration in Blazar Transients: X-Ray Time Lags and Spectral Formation

NASA Astrophysics Data System (ADS)

Lewis, Tiffany R.; Becker, Peter A.; Finke, Justin D.

2016-06-01

Electromagnetic radiation from blazar jets often displays strong variability, extending from radio to γ-ray frequencies. In a few cases, this variability has been characterized using Fourier time lags, such as those detected in the X-rays from Mrk 421 using BeppoSAX. The lack of a theoretical framework to interpret the data has motivated us to develop a new model for the formation of the X-ray spectrum and the time lags in blazar jets based on a transport equation including terms describing stochastic Fermi acceleration, synchrotron losses, shock acceleration, adiabatic expansion, and spatial diffusion. We derive the exact solution for the Fourier transform of the electron distribution and use it to compute the Fourier transform of the synchrotron radiation spectrum and the associated X-ray time lags. The same theoretical framework is also used to compute the peak flare X-ray spectrum, assuming that a steady-state electron distribution is achieved during the peak of the flare. The model parameters are constrained by comparing the theoretical predictions with the observational data for Mrk 421. The resulting integrated model yields, for the first time, a complete first-principles physical explanation for both the formation of the observed time lags and the shape of the peak flare X-ray spectrum. It also yields direct estimates of the strength of the shock and the stochastic magnetohydrodynamical wave acceleration components in the Mrk 421 jet.
Estimation Methods for Non-Homogeneous Regression - Minimum CRPS vs Maximum Likelihood

NASA Astrophysics Data System (ADS)

Gebetsberger, Manuel; Messner, Jakob W.; Mayr, Georg J.; Zeileis, Achim

2017-04-01

Non-homogeneous regression models are widely used to statistically post-process numerical weather prediction models. Such regression models correct for errors in mean and variance and are capable to forecast a full probability distribution. In order to estimate the corresponding regression coefficients, CRPS minimization is performed in many meteorological post-processing studies since the last decade. In contrast to maximum likelihood estimation, CRPS minimization is claimed to yield more calibrated forecasts. Theoretically, both scoring rules used as an optimization score should be able to locate a similar and unknown optimum. Discrepancies might result from a wrong distributional assumption of the observed quantity. To address this theoretical concept, this study compares maximum likelihood and minimum CRPS estimation for different distributional assumptions. First, a synthetic case study shows that, for an appropriate distributional assumption, both estimation methods yield to similar regression coefficients. The log-likelihood estimator is slightly more efficient. A real world case study for surface temperature forecasts at different sites in Europe confirms these results but shows that surface temperature does not always follow the classical assumption of a Gaussian distribution. KEYWORDS: ensemble post-processing, maximum likelihood estimation, CRPS minimization, probabilistic temperature forecasting, distributional regression models

Metabolic pathway analysis and kinetic studies for production of nattokinase in Bacillus subtilis.

PubMed

Unrean, Pornkamol; Nguyen, Nhung H A

2013-01-01

We have constructed a reaction network model of Bacillus subtilis. The model was analyzed using a pathway analysis tool called elementary mode analysis (EMA). The analysis tool was used to study the network capabilities and the possible effects of altered culturing conditions on the production of a fibrinolytic enzyme, nattokinase (NK) by B. subtilis. Based on all existing metabolic pathways, the maximum theoretical yield for NK synthesis in B. subtilis under different substrates and oxygen availability was predicted and the optimal culturing condition for NK production was identified. To confirm model predictions, experiments were conducted by testing these culture conditions for their influence on NK activity. The optimal culturing conditions were then applied to batch fermentation, resulting in high NK activity. The EMA approach was also applied for engineering B. subtilis metabolism towards the most efficient pathway for NK synthesis by identifying target genes for deletion and overexpression that enable the cell to produce NK at the maximum theoretical yield. The consistency between experiments and model predictions proves the feasibility of EMA being used to rationally design culture conditions and genetic manipulations for the efficient production of desired products.
Evolution of learning strategies in temporally and spatially variable environments: A review of theory

PubMed Central

Aoki, Kenichi; Feldman, Marcus W.

2013-01-01

The theoretical literature from 1985 to the present on the evolution of learning strategies in variable environments is reviewed, with the focus on deterministic dynamical models that are amenable to local stability analysis, and on deterministic models yielding evolutionarily stable strategies. Individual learning, unbiased and biased social learning, mixed learning, and learning schedules are considered. A rapidly changing environment or frequent migration in a spatially heterogeneous environment favors individual learning over unbiased social learning. However, results are not so straightforward in the context of learning schedules or when biases in social learning are introduced. The three major methods of modeling temporal environmental change – coevolutionary, two-timescale, and information decay – are compared and shown to sometimes yield contradictory results. The so-called Rogers’ paradox is inherent in the two-timescale method as originally applied to the evolution of pure strategies, but is often eliminated when the other methods are used. Moreover, Rogers’ paradox is not observed for the mixed learning strategies and learning schedules that we review. We believe that further theoretical work is necessary on learning schedules and biased social learning, based on models that are logically consistent and empirically pertinent. PMID:24211681
Evolution of learning strategies in temporally and spatially variable environments: a review of theory.

PubMed

Aoki, Kenichi; Feldman, Marcus W

2014-02-01

The theoretical literature from 1985 to the present on the evolution of learning strategies in variable environments is reviewed, with the focus on deterministic dynamical models that are amenable to local stability analysis, and on deterministic models yielding evolutionarily stable strategies. Individual learning, unbiased and biased social learning, mixed learning, and learning schedules are considered. A rapidly changing environment or frequent migration in a spatially heterogeneous environment favors individual learning over unbiased social learning. However, results are not so straightforward in the context of learning schedules or when biases in social learning are introduced. The three major methods of modeling temporal environmental change--coevolutionary, two-timescale, and information decay--are compared and shown to sometimes yield contradictory results. The so-called Rogers' paradox is inherent in the two-timescale method as originally applied to the evolution of pure strategies, but is often eliminated when the other methods are used. Moreover, Rogers' paradox is not observed for the mixed learning strategies and learning schedules that we review. We believe that further theoretical work is necessary on learning schedules and biased social learning, based on models that are logically consistent and empirically pertinent. Copyright © 2013 Elsevier Inc. All rights reserved.
Physical processes in directed ion beam sputtering. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Robinson, R. S.

1979-01-01

The general operation of a discharge chamber for the production of ions is described. A model is presented for the magnetic containment of both primary and secondary or Maxwellian electrons in the discharge plasma. Cross sections were calculated for energy and momentum transfer in binary collisions between like pairs of Ar, Kr, and Xe atoms in the energy range from about 1 eV to 1000 eV. These calculations were made from available pair interaction potentials using a classical model. Experimental data from the literature were fit to a theoretical expression for the Ar resonance charge exchange cross section over the same energy range. A model was developed that describes the processes of conical texturing of a surface due to simultaneous directed ion beam etching and sputter deposition of an impurity material. This model accurately predicts both a minimum temperature for texturing to take place and the variation of cone density with temperature. It also provides the correct order of magnitude of cone separation. It was predicted from the model, and subsequently verified experimentally, that a high sputter yield material could serve as a seed for coning of a lower sputter yield substrate. Seeding geometries and seed deposition rates were studied to obtain an important input to the theoretical texturing model.
Effects of user puff topography, device voltage, and liquid nicotine concentration on electronic cigarette nicotine yield: measurements and model predictions.

PubMed

Talih, Soha; Balhas, Zainab; Eissenberg, Thomas; Salman, Rola; Karaoghlanian, Nareg; El Hellani, Ahmad; Baalbaki, Rima; Saliba, Najat; Shihadeh, Alan

2015-02-01

Some electronic cigarette (ECIG) users attain tobacco cigarette-like plasma nicotine concentrations while others do not. Understanding the factors that influence ECIG aerosol nicotine delivery is relevant to regulation, including product labeling and abuse liability. These factors may include user puff topography, ECIG liquid composition, and ECIG design features. This study addresses how these factors can influence ECIG nicotine yield. Aerosols were machine generated with 1 type of ECIG cartridge (V4L CoolCart) using 5 distinct puff profiles representing a tobacco cigarette smoker (2-s puff duration, 33-ml/s puff velocity), a slow average ECIG user (4 s, 17 ml/s), a fast average user (4 s, 33 ml/s), a slow extreme user (8 s, 17 ml/s), and a fast extreme user (8 s, 33 ml/s). Output voltage (3.3-5.2 V or 3.0-7.5 W) and e-liquid nicotine concentration (18-36 mg/ml labeled concentration) were varied. A theoretical model was also developed to simulate the ECIG aerosol production process and to provide insight into the empirical observations. Nicotine yields from 15 puffs varied by more than 50-fold across conditions. Experienced ECIG user profiles (longer puffs) resulted in higher nicotine yields relative to the tobacco smoker (shorter puffs). Puff velocity had no effect on nicotine yield. Higher nicotine concentration and higher voltages resulted in higher nicotine yields. These results were predicted well by the theoretical model (R (2) = 0.99). Depending on puff conditions and product features, 15 puffs from an ECIG can provide far less or far more nicotine than a single tobacco cigarette. ECIG emissions can be predicted using physical principles, with knowledge of puff topography and a few ECIG device design parameters. © The Author 2014. Published by Oxford University Press on behalf of the Society for Research on Nicotine and Tobacco. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.
Effects of User Puff Topography, Device Voltage, and Liquid Nicotine Concentration on Electronic Cigarette Nicotine Yield: Measurements and Model Predictions

PubMed Central

Talih, Soha; Balhas, Zainab; Eissenberg, Thomas; Salman, Rola; Karaoghlanian, Nareg; El Hellani, Ahmad; Baalbaki, Rima; Saliba, Najat

2015-01-01

Introduction: Some electronic cigarette (ECIG) users attain tobacco cigarette–like plasma nicotine concentrations while others do not. Understanding the factors that influence ECIG aerosol nicotine delivery is relevant to regulation, including product labeling and abuse liability. These factors may include user puff topography, ECIG liquid composition, and ECIG design features. This study addresses how these factors can influence ECIG nicotine yield. Methods: Aerosols were machine generated with 1 type of ECIG cartridge (V4L CoolCart) using 5 distinct puff profiles representing a tobacco cigarette smoker (2-s puff duration, 33-ml/s puff velocity), a slow average ECIG user (4 s, 17 ml/s), a fast average user (4 s, 33 ml/s), a slow extreme user (8 s, 17 ml/s), and a fast extreme user (8 s, 33 ml/s). Output voltage (3.3–5.2 V or 3.0–7.5 W) and e-liquid nicotine concentration (18–36 mg/ml labeled concentration) were varied. A theoretical model was also developed to simulate the ECIG aerosol production process and to provide insight into the empirical observations. Results: Nicotine yields from 15 puffs varied by more than 50-fold across conditions. Experienced ECIG user profiles (longer puffs) resulted in higher nicotine yields relative to the tobacco smoker (shorter puffs). Puff velocity had no effect on nicotine yield. Higher nicotine concentration and higher voltages resulted in higher nicotine yields. These results were predicted well by the theoretical model (R 2 = 0.99). Conclusions: Depending on puff conditions and product features, 15 puffs from an ECIG can provide far less or far more nicotine than a single tobacco cigarette. ECIG emissions can be predicted using physical principles, with knowledge of puff topography and a few ECIG device design parameters. PMID:25187061
Relationship between soybean yield/quality and soil quality in a major soybean-producing area based on a 2D-QSAR model

NASA Astrophysics Data System (ADS)

Gao, Ming; Li, Shiwei

2017-05-01

Based on experimental data of the soybean yield and quality from 30 sampling points, a quantitative structure-activity relationship model (2D-QSAR) was established using the soil quality (elements, pH, organic matter content and cation exchange capacity) as independent variables and soybean yield or quality as the dependent variable, with SPSS software. During the modeling, the full data set (30 and 14 compounds) was divided into a training set (24 and 11 compounds) for model generation and a test set (6 and 3 compounds) for model validation. The R2 values of the resulting models and data were 0.826 and 0.808 for soybean yield and quality, respectively, and all regression coefficients were significant (P < 0.05). The correlation coefficient R2pred of observed values and predicted values of the soybean yield and soybean quality in the test set were 0.961 and 0.956, respectively, indicating that the models had a good predictive ability. Moreover, the Mo, Se, K, N and organic matter contents and the cation exchange capacity of soil had a positive effect on soybean production, and the B, Mo, Se, K and N contents and cation exchange coefficient had a positive effect on soybean quality. The results are instructive for enhancing soils to improve the yield and quality of soybean, and this method can also be used to study other crops or regions, providing a theoretical basis to improving the yield and quality of crops.
Validation of a metabolic network for Saccharomyces cerevisiae using mixed substrate studies.

PubMed

Vanrolleghem, P A; de Jong-Gubbels, P; van Gulik, W M; Pronk, J T; van Dijken, J P; Heijnen, S

1996-01-01

Setting up a metabolic network model for respiratory growth of Saccharomyces cerevisiae requires the estimation of only two (energetic) stoichiometric parameters: (1) the operational PO ratio and (2) a growth-related maintenance factor k. It is shown, both theoretically and practically, how chemostat cultivations with different mixtures of two substrates allow unique values to be given to these unknowns of the proposed metabolic model. For the yeast and model considered, an effective PO ratio of 1.09 mol of ATP/mol of O (95% confidence interval 1.07-1.11) and a k factor of 0.415 mol of ATP/C-mol of biomass (0.385-0.445) were obtained from biomass substrate yield data on glucose/ethanol mixtures. Symbolic manipulation software proved very valuable in this study as it supported the proof of theoretical identifiability and significantly reduced the necessary computations for parameter estimation. In the transition from 100% glucose to 100% ethanol in the feed, four metabolic regimes occur. Switching between these regimes is determined by cessation of an irreversible reaction and initiation of an alternative reaction. Metabolic network predictions of these metabolic switches compared well with activity measurements of key enzymes. As a second validation of the network, the biomass yield of S. cerevisiae on acetate was also compared to the network prediction. An excellent agreement was found for a network in which acetate transport was modeled with a proton symport, while passive diffusion of acetate gave significantly higher yield predictions.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu Shioumin; Kruijs, Robbert van de; Zoethout, Erwin

Ion sputtering yields for Ru, Mo, and Si under Ar{sup +} ion bombardment in the near-threshold energy range have been studied using an in situ weight-loss method with a Kaufman ion source, Faraday cup, and quartz crystal microbalance. The results are compared to theoretical models. The accuracy of the in situ weight-loss method was verified by thickness-decrease measurements using grazing incidence x-ray reflectometry, and results from both methods are in good agreement. These results provide accurate data sets for theoretical modeling in the near-threshold sputter regime and are of relevance for (optical) surfaces exposed to plasmas, as, for instance, inmore » extreme ultraviolet photolithography.« less
Informal Monograph on Riverine Sand Dunes

DTIC Science & Technology

1991-10-01

current deficiencies in the theoretical models are discussed and are concluded to stem from the difficulties inherent to analysis of nonuniform, turbulent...T(x,t) = m[l + crlx(x,t)1[(U - Uc) + Ox(x - 13, - d,t)]n (5) 134 5. (4) and (5) yield 1r(x,b), which is Fourier transformed to yield Bt(k,t) - Tk2 ...is known about the formation, behavior and characteristics of alluvial bed forms, and the principal deficiencies in our knowledge about them. Section
Cascaded systems analysis of noise and detectability in dual-energy cone-beam CT

PubMed Central

Gang, Grace J.; Zbijewski, Wojciech; Webster Stayman, J.; Siewerdsen, Jeffrey H.

2012-01-01

Purpose: Dual-energy computed tomography and dual-energy cone-beam computed tomography (DE-CBCT) are promising modalities for applications ranging from vascular to breast, renal, hepatic, and musculoskeletal imaging. Accordingly, the optimization of imaging techniques for such applications would benefit significantly from a general theoretical description of image quality that properly incorporates factors of acquisition, reconstruction, and tissue decomposition in DE tomography. This work reports a cascaded systems analysis model that includes the Poisson statistics of x rays (quantum noise), detector model (flat-panel detectors), anatomical background, image reconstruction (filtered backprojection), DE decomposition (weighted subtraction), and simple observer models to yield a task-based framework for DE technique optimization. Methods: The theoretical framework extends previous modeling of DE projection radiography and CBCT. Signal and noise transfer characteristics are propagated through physical and mathematical stages of image formation and reconstruction. Dual-energy decomposition was modeled according to weighted subtraction of low- and high-energy images to yield the 3D DE noise-power spectrum (NPS) and noise-equivalent quanta (NEQ), which, in combination with observer models and the imaging task, yields the dual-energy detectability index (d′). Model calculations were validated with NPS and NEQ measurements from an experimental imaging bench simulating the geometry of a dedicated musculoskeletal extremities scanner. Imaging techniques, including kVp pair and dose allocation, were optimized using d′ as an objective function for three example imaging tasks: (1) kidney stone discrimination; (2) iodine vs bone in a uniform, soft-tissue background; and (3) soft tissue tumor detection on power-law anatomical background. Results: Theoretical calculations of DE NPS and NEQ demonstrated good agreement with experimental measurements over a broad range of imaging conditions. Optimization results suggest a lower fraction of total dose imparted by the low-energy acquisition, a finding consistent with previous literature. The selection of optimal kVp pair reveals the combined effect of both quantum noise and contrast in the kidney stone discrimination and soft-tissue tumor detection tasks, whereas the K-edge effect of iodine was the dominant factor in determining kVp pairs in the iodine vs bone task. The soft-tissue tumor task illustrated the benefit of dual-energy imaging in eliminating anatomical background noise and improving detectability beyond that achievable by single-energy scans. Conclusions: This work established a task-based theoretical framework that is predictive of DE image quality. The model can be utilized in optimizing a broad range of parameters in image acquisition, reconstruction, and decomposition, providing a useful tool for maximizing DE-CBCT image quality and reducing dose. PMID:22894440
The Long-Term Effects of Youth Unemployment

ERIC Educational Resources Information Center

Mroz, Thomas A.; Savage, Timothy H.

2006-01-01

Using NLSY data, we examine the long-term effects of youth unemployment on later labor market outcomes. Involuntary unemployment may yield suboptimal investments in human capital in the short run. A theoretical model of dynamic human capital investment predicts a rational "catch-up" response. Using semiparametric techniques to control for the…
INTERPERSONAL RELATIONSHIPS--A REVIEW. UTAH STUDIES IN VOCATIONAL REHABILITATION.

ERIC Educational Resources Information Center

JORGENSEN, GARY Q.; RUSHLAU, PERRY J.

THIS MONOGRAPH IS A REVIEW OF SELECTED LITERATURE IN THE AREA OF INTERPERSONAL RELATIONSHIPS, WHICH HAS RELEVANCE TO THE CLIENT-COUNSELOR INTERACTION. THE STUDIES HAVE BEEN TREATED WITHIN THE FRAMEWORK OF MCGRATH'S DESCRIPTIVE MODEL FOR INTERPERSONAL RELATIONSHIPS. COMPARATIVE ANALYSIS OF THEORETICAL APPROACHES HAS YIELDED TWO LINES OF EVIDENCE…
Modelling and Computation in the Valuation of Carbon Derivatives with Stochastic Convenience Yields

PubMed Central

Chang, Shuhua; Wang, Xinyu

2015-01-01

The anthropogenic greenhouse gas (GHG) emission has risen dramatically during the last few decades, which mainstream researchers believe to be the main cause of climate change, especially the global warming. The mechanism of market-based carbon emission trading is regarded as a policy instrument to deal with global climate change. Although several empirical researches about the carbon allowance and its derivatives price have been made, theoretical results seem to be sparse. In this paper, we theoretically develop a mathematical model to price the CO2 emission allowance derivatives with stochastic convenience yields by the principle of absence of arbitrage opportunities. In the case of American options, we formulate the pricing problem to a linear parabolic variational inequality (VI) in two spatial dimensions and develop a power penalty method to solve it. Then, a fitted finite volume method is designed to solve the nonlinear partial differential equation (PDE) resulting from the power penalty method and governing the futures, European and American option valuation. Moreover, some numerical results are performed to illustrate the efficiency and usefulness of this method. We find that the stochastic convenience yield does effect the valuation of carbon emission derivatives. In addition, some sensitivity analyses are also made to examine the effects of some parameters on the valuation results. PMID:26010900
Modelling and computation in the valuation of carbon derivatives with stochastic convenience yields.

PubMed

Chang, Shuhua; Wang, Xinyu

2015-01-01

The anthropogenic greenhouse gas (GHG) emission has risen dramatically during the last few decades, which mainstream researchers believe to be the main cause of climate change, especially the global warming. The mechanism of market-based carbon emission trading is regarded as a policy instrument to deal with global climate change. Although several empirical researches about the carbon allowance and its derivatives price have been made, theoretical results seem to be sparse. In this paper, we theoretically develop a mathematical model to price the CO2 emission allowance derivatives with stochastic convenience yields by the principle of absence of arbitrage opportunities. In the case of American options, we formulate the pricing problem to a linear parabolic variational inequality (VI) in two spatial dimensions and develop a power penalty method to solve it. Then, a fitted finite volume method is designed to solve the nonlinear partial differential equation (PDE) resulting from the power penalty method and governing the futures, European and American option valuation. Moreover, some numerical results are performed to illustrate the efficiency and usefulness of this method. We find that the stochastic convenience yield does effect the valuation of carbon emission derivatives. In addition, some sensitivity analyses are also made to examine the effects of some parameters on the valuation results.
Matrix form for the instrument line shape of Fourier-transform spectrometers yielding a fast integration algorithm to theoretical spectra.

PubMed

Desbiens, Raphaël; Tremblay, Pierre; Genest, Jérôme; Bouchard, Jean-Pierre

2006-01-20

The instrument line shape (ILS) of a Fourier-transform spectrometer is expressed in a matrix form. For all line shape effects that scale with wavenumber, the ILS matrix is shown to be transposed in the spectral and interferogram domains. The novel representation of the ILS matrix in the interferogram domain yields an insightful physical interpretation of the underlying process producing self-apodization. Working in the interferogram domain circumvents the problem of taking into account the effects of finite optical path difference and permits a proper discretization of the equations. A fast algorithm in O(N log2 N), based on the fractional Fourier transform, is introduced that permits the application of a constant resolving power line shape to theoretical spectra or forward models. The ILS integration formalism is validated with experimental data.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Sobottka, Marcelo, E-mail: sobottka@mtm.ufsc.br; Hart, Andrew G., E-mail: ahart@dim.uchile.cl

Highlights: {yields} We propose a simple stochastic model to construct primitive DNA sequences. {yields} The model provide an explanation for Chargaff's second parity rule in primitive DNA sequences. {yields} The model is also used to predict a novel type of strand symmetry in primitive DNA sequences. {yields} We extend the results for bacterial DNA sequences and compare distributional properties intrinsic to the model to statistical estimates from 1049 bacterial genomes. {yields} We find out statistical evidences that the novel type of strand symmetry holds for bacterial DNA sequences. -- Abstract: Chargaff's second parity rule for short oligonucleotides states that themore » frequency of any short nucleotide sequence on a strand is approximately equal to the frequency of its reverse complement on the same strand. Recent studies have shown that, with the exception of organellar DNA, this parity rule generally holds for double-stranded DNA genomes and fails to hold for single-stranded genomes. While Chargaff's first parity rule is fully explained by the Watson-Crick pairing in the DNA double helix, a definitive explanation for the second parity rule has not yet been determined. In this work, we propose a model based on a hidden Markov process for approximating the distributional structure of primitive DNA sequences. Then, we use the model to provide another possible theoretical explanation for Chargaff's second parity rule, and to predict novel distributional aspects of bacterial DNA sequences.« less
Flux balance analysis indicates that methane is the lowest cost feedstock for microbial cell factories

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

Comer, Austin D.; Long, Matthew R.; Reed, Jennifer L.

The low cost of natural gas has driven significant interest in using C 1 carbon sources (e.g. methane, methanol, CO, syngas) as feedstocks for producing liquid transportation fuels and commodity chemicals. Given the large contribution of sugar and lignocellulosic feedstocks to biorefinery operating costs, natural gas and other C 1 sources may provide an economic advantage. To assess the relative costs of these feedstocks, we performed flux balance analysis on genome-scale metabolic models to calculate the maximum theoretical yields of chemical products from methane, methanol, acetate, and glucose. Yield calculations were performed for every metabolite (as a proxy for desiredmore » products) in the genome-scale metabolic models of three organisms: Escherichia coli (bacterium), Saccharomyces cerevisiae (yeast), and Synechococcus sp. PCC 7002 (cyanobacterium). The calculated theoretical yields and current feedstock prices provided inputs to create comparative feedstock cost surfaces. Our analysis shows that, at current market prices, methane feedstock costs are consistently lower than glucose when used as a carbon and energy source for microbial chemical production. Conversely, methanol is costlier than glucose under almost all price scenarios. Acetate feedstock costs could be less than glucose given efficient acetate production from low-cost syngas using nascent biological gas to liquids (BIO-GTL) technologies. Furthermore, our analysis suggests that research should focus on overcoming the technical challenges of methane assimilation and/or yield of acetate via BIO-GTL to take advantage of low-cost natural gas rather than using methanol as a feedstock.« less
Flux balance analysis indicates that methane is the lowest cost feedstock for microbial cell factories

DOE PAGES

Comer, Austin D.; Long, Matthew R.; Reed, Jennifer L.; ...

2017-07-10

The low cost of natural gas has driven significant interest in using C 1 carbon sources (e.g. methane, methanol, CO, syngas) as feedstocks for producing liquid transportation fuels and commodity chemicals. Given the large contribution of sugar and lignocellulosic feedstocks to biorefinery operating costs, natural gas and other C 1 sources may provide an economic advantage. To assess the relative costs of these feedstocks, we performed flux balance analysis on genome-scale metabolic models to calculate the maximum theoretical yields of chemical products from methane, methanol, acetate, and glucose. Yield calculations were performed for every metabolite (as a proxy for desiredmore » products) in the genome-scale metabolic models of three organisms: Escherichia coli (bacterium), Saccharomyces cerevisiae (yeast), and Synechococcus sp. PCC 7002 (cyanobacterium). The calculated theoretical yields and current feedstock prices provided inputs to create comparative feedstock cost surfaces. Our analysis shows that, at current market prices, methane feedstock costs are consistently lower than glucose when used as a carbon and energy source for microbial chemical production. Conversely, methanol is costlier than glucose under almost all price scenarios. Acetate feedstock costs could be less than glucose given efficient acetate production from low-cost syngas using nascent biological gas to liquids (BIO-GTL) technologies. Furthermore, our analysis suggests that research should focus on overcoming the technical challenges of methane assimilation and/or yield of acetate via BIO-GTL to take advantage of low-cost natural gas rather than using methanol as a feedstock.« less
Characterizing low-Z erosion and deposition in the DIII-D divertor using aluminum

DOE PAGES

Chrobak, Chris P.; Doerner, R. P.; Stangeby, Peter C.; ...

2017-01-28

Here, we present measurements and modeling of aluminum erosion and redeposition experiments in separate helium and deuterium low power, low density L-mode plasmas at the outer divertor strike point of DIII-D to provide a low-Z material benchmark dataset for tokamak erosion-deposition modeling codes. Coatings of Al ~100nm thick were applied to ideal (smooth) and realistic (rough) surfaces and exposed to repeat plasma discharges using the DiMES probe. Redeposition and re-erosion in all cases was primarily in the downstream toroidal field direction, evident from both in-situ spectroscopic and post-mortem non spectroscopic measurements. The gross Al erosion yield estimated from both Hemore » and D plasma exposures was ~40-70% of the expected erosion yield based on theoretical physical sputtering yields. However, the multi-step redeposition and re-erosion process, and hence the measured net erosion yield and material migration, was found to be influenced by the surface roughness and/or porosity. On rough surfaces, the fraction of the eroded Al coating found redeposited outside the original coating area was 25x higher than on smooth surfaces. The amount of Al found redeposited on the rough substrate was in fact proportional to the net eroded Al, suggesting an accumulation of deposited Al in surface pores and other areas shadowed from re-erosion. In order to determine the fraction and distribution of eroded Al returning to the surface, a simple model for erosion and redeposition was developed and fitted to the measurements. The model presented here reproduces many of the observed results in these experiments by using theoretically calculated sputtering yields, calculating surface composition changes and erosion rates in time, assuming a spatial distribution function for redepositing atoms, and accounting for deposit trapping in pores. The results of the model fits reveal that total redeposition fraction increases with higher plasma temperature (~30% for 15-18eV plasmas, and ~45% for 25-30eV plasmas), and that 50% of the atoms redepositing on rough surfaces accumulated in shadowed areas.« less

Theoretical analysis of the overtone-induced isomerization of methyl isocyanide

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

Miller, J.A.; Chandler, D.W.

1986-10-15

A master-equation formalism is applied to the problem of overtone-induced isomerization of CH/sub 3/NC to CH/sub 3/CN. The results are compared to the experiments of Reddy and Berry, who measured the yield of isomerization as a function of pressure after excitation to the fourth and fifth overtones of the CH stretching mode. The master-equation model predicts the yield and the curvature in the yield/sup -1/ vs pressure plots observed in the experiments. For the lower overtone (50) the results are consistent with a simple strong-collider model. However, even under strong-collider conditions the yield is very sensitive to the parameters inmore » the master equation. For the upper overtone (60) the data do not fit a strong collider model and multistep deactivation dominates. We are able to determine from the data the average energy transferred in a collision by assuming a particular form for the energy-transfer function. In addition, the effect of changing the shape of the energy-transfer function is investigated.« less
On universal procrastination

NASA Astrophysics Data System (ADS)

Eliazar, Iddo

2017-09-01

This paper presents a general stochastic model for procrastination with respect to a deadline. The model establishes a universal procrastination pattern that follows an inverse power-law: if the time remaining to the deadline is r then the response is 1/rε , where ɛ is a positive exponent. The model further establishes that the exponent value ε =1 , which yields the harmonic response 1/r , stands out as special and distinguishable. The theoretical results of the model are shown to be in perfect accord with recent empirical findings.
Noninformative prior in the quantum statistical model of pure states

NASA Astrophysics Data System (ADS)

Tanaka, Fuyuhiko

2012-06-01

In the present paper, we consider a suitable definition of a noninformative prior on the quantum statistical model of pure states. While the full pure-states model is invariant under unitary rotation and admits the Haar measure, restricted models, which we often see in quantum channel estimation and quantum process tomography, have less symmetry and no compelling rationale for any choice. We adopt a game-theoretic approach that is applicable to classical Bayesian statistics and yields a noninformative prior for a general class of probability distributions. We define the quantum detection game and show that there exist noninformative priors for a general class of a pure-states model. Theoretically, it gives one of the ways that we represent ignorance on the given quantum system with partial information. Practically, our method proposes a default distribution on the model in order to use the Bayesian technique in the quantum-state tomography with a small sample.
TIME-DEPENDENT ELECTRON ACCELERATION IN BLAZAR TRANSIENTS: X-RAY TIME LAGS AND SPECTRAL FORMATION

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

Lewis, Tiffany R.; Becker, Peter A.; Finke, Justin D., E-mail: pbecker@gmu.edu, E-mail: tlewis13@gmu.edu, E-mail: justin.finke@nrl.navy.mil

2016-06-20

Electromagnetic radiation from blazar jets often displays strong variability, extending from radio to γ -ray frequencies. In a few cases, this variability has been characterized using Fourier time lags, such as those detected in the X-rays from Mrk 421 using Beppo SAX. The lack of a theoretical framework to interpret the data has motivated us to develop a new model for the formation of the X-ray spectrum and the time lags in blazar jets based on a transport equation including terms describing stochastic Fermi acceleration, synchrotron losses, shock acceleration, adiabatic expansion, and spatial diffusion. We derive the exact solution formore » the Fourier transform of the electron distribution and use it to compute the Fourier transform of the synchrotron radiation spectrum and the associated X-ray time lags. The same theoretical framework is also used to compute the peak flare X-ray spectrum, assuming that a steady-state electron distribution is achieved during the peak of the flare. The model parameters are constrained by comparing the theoretical predictions with the observational data for Mrk 421. The resulting integrated model yields, for the first time, a complete first-principles physical explanation for both the formation of the observed time lags and the shape of the peak flare X-ray spectrum. It also yields direct estimates of the strength of the shock and the stochastic magnetohydrodynamical wave acceleration components in the Mrk 421 jet.« less
Response of wheat yield in Spain to large-scale patterns

NASA Astrophysics Data System (ADS)

Hernandez-Barrera, Sara; Rodriguez-Puebla, Concepcion

2016-04-01

Crops are vulnerable to extreme climate conditions as drought, heat stress and frost risk. In previous study we have quantified the influence of these climate conditions for winter wheat in Spain (Hernandez-Barrera et al. 2015). The climate extremes respond to large-scale atmospheric and oceanic patterns. Therefore, a question emerges in our investigation: How large-scale patterns affect wheat yield? Obtaining and understanding these relationships require different approaches. In this study, we first obtained the leading mode of observed wheat yield variability to characterize the common variability over different provinces in Spain. Then, the wheat variability is related to different modes of mean sea level pressure, jet stream and sea surface temperature by using Partial Least-Squares, which captures the relevant climate drivers accounting for variations in wheat yield from sowing to harvesting. We used the ERA-Interim reanalysis data and the Extended Reconstructed Sea Surface Temperature (SST) (ERSST v3b). The derived model provides insight about the teleconnections between wheat yield and atmospheric and oceanic circulations, which is considered to project the wheat yield trend under global warming using outputs of twelve climate models corresponding to the Coupled Models Intercomparison Project phase 5 (CMIP5). Hernandez-Barrera S., C. Rodríguez-Puebla and A.J. Challinor. Effects of diurnal temperature range and drought on wheat yield in Spain. Theoretical and Applied Climatology (submitted)
Relationships between surface solar radiation and wheat yield in Spain

NASA Astrophysics Data System (ADS)

Hernandez-Barrera, Sara; Rodriguez-Puebla, Concepción

2017-04-01

Here we examine the role of solar radiation to describe wheat-yield variability in Spain. We used Partial Least Square regression to capture the modes of surface solar radiation that drive wheat-yield variability. We will show that surface solar radiation introduces the effects of teleconnection patterns on wheat yield and also it is associated with drought and diurnal temperature range. We highlight the importance of surface solar radiation to obtain models for wheat-yield projections because it could reduce uncertainty with respect to the projections based on temperatures and precipitation variables. In addition, the significance of the model based on surface solar radiation is greater than the previous one based on drought and diurnal temperature range (Hernandez-Barrera et al., 2016). According to our results, the increase of solar radiation over Spain for 21st century could force a wheat-yield decrease (Hernandez-Barrera et al., 2017). Hernandez-Barrera S., Rodríguez-Puebla C. and Challinor A.J. 2016 Effects of diurnal temperature range and drought on wheat yield in Spain. Theoretical and Applied Climatology. DOI: 10.1007/s00704-016-1779-9 Hernandez-Barrera S., Rodríguez-Puebla C. 2017 Wheat yield in Spain and associated solar radiation patterns. International Journal of Climatology. DOI: 10.1002/joc.4975
Measuring neuronal avalanches in disordered systems with absorbing states

NASA Astrophysics Data System (ADS)

Girardi-Schappo, M.; Tragtenberg, M. H. R.

2018-04-01

Power-law-shaped avalanche-size distributions are widely used to probe for critical behavior in many different systems, particularly in neural networks. The definition of avalanche is ambiguous. Usually, theoretical avalanches are defined as the activity between a stimulus and the relaxation to an inactive absorbing state. On the other hand, experimental neuronal avalanches are defined by the activity between consecutive silent states. We claim that the latter definition may be extended to some theoretical models to characterize their power-law avalanches and critical behavior. We study a system in which the separation of driving and relaxation time scales emerges from its structure. We apply both definitions of avalanche to our model. Both yield power-law-distributed avalanches that scale with system size in the critical point as expected. Nevertheless, we find restricted power-law-distributed avalanches outside of the critical region within the experimental procedure, which is not expected by the standard theoretical definition. We remark that these results are dependent on the model details.
Numerical simulations to the nonlinear model of interpersonal relationships with time fractional derivative

NASA Astrophysics Data System (ADS)

Gencoglu, Muharrem Tuncay; Baskonus, Haci Mehmet; Bulut, Hasan

2017-01-01

The main aim of this manuscript is to obtain numerical solutions for the nonlinear model of interpersonal relationships with time fractional derivative. The variational iteration method is theoretically implemented and numerically conducted only to yield the desired solutions. Numerical simulations of desired solutions are plotted by using Wolfram Mathematica 9. The authors would like to thank the reviewers for their comments that help improve the manuscript.
Development of a recursion RNG-based turbulence model

NASA Technical Reports Server (NTRS)

Zhou, YE; Vahala, George; Thangam, S.

1993-01-01

Reynolds stress closure models based on the recursion renormalization group theory are developed for the prediction of turbulent separated flows. The proposed model uses a finite wavenumber truncation scheme to account for the spectral distribution of energy. In particular, the model incorporates effects of both local and nonlocal interactions. The nonlocal interactions are shown to yield a contribution identical to that from the epsilon-renormalization group (RNG), while the local interactions introduce higher order dispersive effects. A formal analysis of the model is presented and its ability to accurately predict separated flows is analyzed from a combined theoretical and computational stand point. Turbulent flow past a backward facing step is chosen as a test case and the results obtained based on detailed computations demonstrate that the proposed recursion -RNG model with finite cut-off wavenumber can yield very good predictions for the backstep problem.
Experimental investigation of strong-field-ionization theories for laser fields from visible to midinfrared frequencies

NASA Astrophysics Data System (ADS)

Lai, Yu Hang; Xu, Junliang; Szafruga, Urszula B.; Talbert, Bradford K.; Gong, Xiaowei; Zhang, Kaikai; Fuest, Harald; Kling, Matthias F.; Blaga, Cosmin I.; Agostini, Pierre; DiMauro, Louis F.

2017-12-01

Strong-field-ionization yield versus intensity is investigated for various atomic targets (Ne, Ar, Kr, Xe, Na, K, Zn, and Mg) and light polarization from visible to mid-infrared (0.4-4 μ m ), from multiphoton to tunneling regimes. The experimental findings (normalized yield vs intensity, ratio of circular to linear polarization and saturation intensities) are compared to the theoretical models of Perelomov-Popov-Terent'ev (PPT) and Ammosov-Delone-Krainov (ADK). While PPT is generally satisfactory, ADK validity is found, as expected, to be much more limited.
Expectancy-Value and Cognitive Process Outcomes in Mathematics Learning: A Structural Equation Analysis

ERIC Educational Resources Information Center

Phan, Huy P.

2014-01-01

Existing research has yielded evidence to indicate that the expectancy-value theoretical model predicts students' learning in various achievement contexts. Achievement values and self-efficacy expectations, for example, have been found to exert positive effects on cognitive process and academic achievement outcomes. We tested a conceptual model…
Particle Engulfment and Pushing By Solidifying Interfaces - Recent Theoretical and Experimental Developments

NASA Technical Reports Server (NTRS)

Stefanescu, D. M.; Catalina, A. V.; Juretzko, Frank R.; Sen, Subhayu; Curreri, P. A.

2003-01-01

The objective of the work on Particle Engulfment and Pushing by Solidifying Interfaces (PEP) include: 1) to obtain fundamental understanding of the physics of particle pushing and engulfment, 2) to develop mathematical models to describe the phenomenon, and 3) to perform critical experiments in the microgravity environment of space to provide benchmark data for model validation. Successful completion of this project will yield vital information relevant to a diverse area of terrestrial applications. With PEP being a long term research effort, this report will focus on advances in the theoretical treatment of the solid/liquid interface interaction with an approaching particle, experimental validation of some aspects of the developed models, and the experimental design aspects of future experiments to be performed on board the International Space Station.
Influence of Biomass Pretreatment Process Time on Furfural Extraction from Birch Wood

NASA Astrophysics Data System (ADS)

Brazdausks, Prans; Puke, Maris; Vedernikovs, Nikolajs; Kruma, Irena

2013-12-01

Furfural is a biomass derived-chemical that can be used to replace petrochemicals. In this study, dilute sulphuric acid hydrolysis was used for hemicelluloses secession from birch wood. The reaction was investigated at different biomass treatment times (10-90 min, increasing it by 10 min). We found that the greatest amount of furfural 1.4-2.6%, which is 9.7-17.7% from theoretical possible yield, was formed in the first 30 min of the beginning of birch wood pentoses monosaccharide dehydration, but the greatest yield of furfural 10.3%, which is 70.0% from the theoretical yield, can be obtained after 90 min. Given that furfural yield generally does not exceed 50% from the theoretical amount, the result can be considered as very good.
Asymmetric Yield Function Based on the Stress Invariants for Pressure Sensitive Metals

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

Jeong Wahn Yoon; Yanshan Lou; Jong Hun Yoon

A general asymmetric yield function is proposed with dependence on the stress invariants for pressure sensitive metals. The pressure sensitivity of the proposed yield function is consistent with the experimental result of Spitzig and Richmond (1984) for steel and aluminum alloys while the asymmetry of the third invariant is preserved to model strength differential (SD) effect of pressure insensitive materials. The proposed yield function is transformed in the space of the stress triaxaility, the von Mises stress and the normalized invariant to theoretically investigate the possible reason of the SD effect. The proposed plasticity model is further extended to characterizemore » the anisotropic behavior of metals both in tension and compression. The extension of the yield function is realized by introducing two distinct fourth-order linear transformation tensors of the stress tensor for the second and third invariants, respectively. The extended yield function reasonably models the evolution of yield surfaces for a zirconium clock-rolled plate during in-plane and through-thickness compression reported by Plunkett et al. (2007). The extended yield function is also applied to describe the orthotropic behavior of a face-centered cubic metal of AA 2008-T4 and two hexagonal close-packed metals of high-purity-titanium and AZ31 magnesium alloy. The orthotropic behavior predicted by the generalized model is compared with experimental results of these metals. The comparison validates that the proposed yield function provides sufficient predictability on SD effect and anisotropic behavior both in tension and compression. When it is necessary to consider r-value anisotropy, the proposed function is efficient to be used with nonassociated flow plasticity by introducing a separate plastic potential for the consideration of r-values as shown in Stoughton & Yoon (2004, 2009).« less
The abundances of ethane and acetylene in the atmospheres of Jupiter and Saturn

NASA Technical Reports Server (NTRS)

Noll, K. S.; Knacke, R. F.; Tokunaga, A. T.; Lacy, J. H.; Beck, S.

1986-01-01

The present determination of the stratospheric abundances of ethane and acetylene on Jupiter and Saturn on the basis of IR spectra near 780/cm uses atmospheric models whose thermal and density profiles have constant mixing ratios. The ratio of ethane to acetylene is noted to be insensitive to model atmosphere assumptions; it is 55 + or - 31 for Jupiter and 23 + or - 12 where model mixing ratios are uniform. Atmospheric model density profiles adapted from theoretical photochemical models are noted to also yield a higher ethane/acetylene ratios for Jupiter.
The abundances of ethane to acetylene in the atmospheres of Jupiter and Saturn

NASA Technical Reports Server (NTRS)

Noll, K. S.; Knacke, R. F.; Tokunaga, A. T.; Lacy, J. H.; Beck, S.; Serabyn, E.

1986-01-01

The present determination of the stratospheric abundances of ethane and acetylene on Jupiter and Saturn on the basis of IR spectra near 780/cm uses atmospheric models whose thermal and density profiles have constant mixing ratios. The ratio of ethane to acetylene is noted to be insensitive to model atmosphere assumptions; it is 55 + or - 31 for Jupiter and 23 + or - 12 where model mixing ratios are uniform. Atmospheric model density profiles adapted from theoretical photochemical models are noted to also yield a higher ethane/acetylene ratios for Jupiter.
Generalized Kapchinskij-Vladimirskij Distribution and Beam Matrix for Phase-Space Manipulations of High-Intensity Beams

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

Chung, Moses; Qin, Hong; Davidson, Ronald C.

In an uncoupled linear lattice system, the Kapchinskij-Vladimirskij (KV) distribution formulated on the basis of the single-particle Courant-Snyder invariants has served as a fundamental theoretical basis for the analyses of the equilibrium, stability, and transport properties of high-intensity beams for the past several decades. Recent applications of high-intensity beams, however, require beam phase-space manipulations by intentionally introducing strong coupling. Here in this Letter, we report the full generalization of the KV model by including all of the linear (both external and space-charge) coupling forces, beam energy variations, and arbitrary emittance partition, which all form essential elements for phase-space manipulations. Themore » new generalized KV model yields spatially uniform density profiles and corresponding linear self-field forces as desired. Finally, the corresponding matrix envelope equations and beam matrix for the generalized KV model provide important new theoretical tools for the detailed design and analysis of high-intensity beam manipulations, for which previous theoretical models are not easily applicable.« less
Generalized Kapchinskij-Vladimirskij Distribution and Beam Matrix for Phase-Space Manipulations of High-Intensity Beams

DOE PAGES

Chung, Moses; Qin, Hong; Davidson, Ronald C.; ...

2016-11-23

In an uncoupled linear lattice system, the Kapchinskij-Vladimirskij (KV) distribution formulated on the basis of the single-particle Courant-Snyder invariants has served as a fundamental theoretical basis for the analyses of the equilibrium, stability, and transport properties of high-intensity beams for the past several decades. Recent applications of high-intensity beams, however, require beam phase-space manipulations by intentionally introducing strong coupling. Here in this Letter, we report the full generalization of the KV model by including all of the linear (both external and space-charge) coupling forces, beam energy variations, and arbitrary emittance partition, which all form essential elements for phase-space manipulations. Themore » new generalized KV model yields spatially uniform density profiles and corresponding linear self-field forces as desired. Finally, the corresponding matrix envelope equations and beam matrix for the generalized KV model provide important new theoretical tools for the detailed design and analysis of high-intensity beam manipulations, for which previous theoretical models are not easily applicable.« less
Psychometric properties and Confirmatory structure of the Strengths and difficulties questionnaire in a sample of adolescents in Nigeria.

PubMed

Akpa, Onoja M; Afolabi, Rotimi F; Fowobaje, Kayode R

Though the SDQ has been used in selected studies in Nigeria, its theoretical structure has not been fully and appropriately investigated in the setting. The present study employs Exploratory Factor Analysis (EFA) and Confirmatory Factor Analysis (CFA) to investigate the theoretical structure of the self-reported version of the SDQ in a sample of adolescents in Benue state, Nigeria. A total of 1,244 adolescents from different categories of secondary schools in Makurdi and Vandekya Local government areas of Benue state participated in the study. Preliminary data analyses were performed using descriptive statistics while the theoretical structure of the SDQ was assessed using EFA and CFA. Model fits were assessed using Chi-square test and other fit indices at 5% significance level. Participants were 14.19±2.45 (Vandekya) and 14.19±2.45 (Makurdi) years old. Results of the EFA and CFA revealed a 3-factor oblique model as the best model for the sample of adolescents studied ( χ 2 / df =2.20, p<0.001) with all fit indices yielding better results. A correlated 3-factor model fits the present data better than the 5-factor theoretical model of the SDQ. The use of the original 5-factor model of the SDQ in the present setting should be interpreted with caution.
Genetic Algorithms and Local Search

NASA Technical Reports Server (NTRS)

Whitley, Darrell

1996-01-01

The first part of this presentation is a tutorial level introduction to the principles of genetic search and models of simple genetic algorithms. The second half covers the combination of genetic algorithms with local search methods to produce hybrid genetic algorithms. Hybrid algorithms can be modeled within the existing theoretical framework developed for simple genetic algorithms. An application of a hybrid to geometric model matching is given. The hybrid algorithm yields results that improve on the current state-of-the-art for this problem.

Physical models of polarization mode dispersion

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

Menyuk, C.R.; Wai, P.K.A.

The effect of randomly varying birefringence on light propagation in optical fibers is studied theoretically in the parameter regime that will be used for long-distance communications. In this regime, the birefringence is large and varies very rapidly in comparison to the nonlinear and dispersive scale lengths. We determine the polarization mode dispersion, and we show that physically realistic models yield the same result for polarization mode dispersion as earlier heuristic models that were introduced by Poole. We also prove an ergodic theorem.
Hardening of particle/oil/water suspensions due to capillary bridges: Experimental yield stress and theoretical interpretation.

PubMed

Danov, Krassimir D; Georgiev, Mihail T; Kralchevsky, Peter A; Radulova, Gergana M; Gurkov, Theodor D; Stoyanov, Simeon D; Pelan, Eddie G

2018-01-01

Suspensions of colloid particles possess the remarkable property to solidify upon the addition of minimal amount of a second liquid that preferentially wets the particles. The hardening is due to the formation of capillary bridges (pendular rings), which connect the particles. Here, we review works on the mechanical properties of such suspensions and related works on the capillary-bridge force, and present new rheological data for the weakly studied concentration range 30-55 vol% particles. The mechanical strength of the solidified capillary suspensions, characterized by the yield stress Y, is measured at the elastic limit for various volume fractions of the particles and the preferentially wetting liquid. A quantitative theoretical model is developed, which relates Y with the maximum of the capillary-bridge force, projected on the shear plane. A semi-empirical expression for the mean number of capillary bridges per particle is proposed. The model agrees very well with the experimental data and gives a quantitative description of the yield stress, which increases with the rise of interfacial tension and with the volume fractions of particles and capillary bridges, but decreases with the rise of particle radius and contact angle. The quantitative description of capillary force is based on the exact theory and numerical calculation of the capillary bridge profile at various bridge volumes and contact angles. An analytical formula for Y is also derived. The comparison of the theoretical and experimental strain at the elastic limit reveals that the fluidization of the capillary suspension takes place only in a deformation zone of thickness up to several hundred particle diameters, which is adjacent to the rheometer's mobile plate. The reported experimental results refer to water-continuous suspension with hydrophobic particles and oily capillary bridges. The comparison of data for bridges from soybean oil and hexadecane surprisingly indicate that the yield strength is greater for the suspension with soybean oil despite its lower interfacial tension against water. The result can be explained with the different contact angles of the two oils in agreement with the theoretical predictions. The results could contribute for a better understanding, quantitative prediction and control of the mechanical properties of three-phase capillary suspensions solid/liquid/liquid. Copyright © 2017 Elsevier B.V. All rights reserved.
Implementing and testing theoretical fission fragment yields in a Hauser-Feshbach statistical decay framework

NASA Astrophysics Data System (ADS)

Jaffke, Patrick; Möller, Peter; Stetcu, Ionel; Talou, Patrick; Schmitt, Christelle

2018-03-01

We implement fission fragment yields, calculated using Brownian shape-motion on a macroscopic-microscopic potential energy surface in six dimensions, into the Hauser-Feshbach statistical decay code CGMF. This combination allows us to test the impact of utilizing theoretically-calculated fission fragment yields on the subsequent prompt neutron and γ-ray emission. We draw connections between the fragment yields and the total kinetic energy TKE of the fission fragments and demonstrate that the use of calculated yields can introduce a difference in the 〈TKE〉 and, thus, the prompt neutron multiplicity v, as compared with experimental fragment yields. We deduce the uncertainty on the 〈TKE〉 and v from this procedure and identify possible applications.
Microdosimetry of DNA conformations: relation between direct effect of (60)Co gamma rays and topology of DNA geometrical models in the calculation of A-, B- and Z-DNA radiation-induced damage yields.

PubMed

Semsarha, Farid; Raisali, Gholamreza; Goliaei, Bahram; Khalafi, Hossein

2016-05-01

In order to obtain the energy deposition pattern of ionizing radiation in the nanometric scale of genetic material and to investigate the different sensitivities of the DNA conformations, direct effects of (60)Co gamma rays on the three A, B and Z conformations of DNA have been studied. For this purpose, single-strand breaks (SSB), double-strand breaks (DSB), base damage (BD), hit probabilities and three microdosimetry quantities (imparted energy, mean chord length and lineal energy) in the mentioned DNA conformations have been calculated and compared by using GEometry ANd Tracking 4 (Geant4) toolkit. The results show that A-, B- and Z-DNA conformations have the highest yields of DSB (1.2 Gy(-1) Gbp(-1)), SSB (25.2 Gy(-1) Gbp(-1)) and BD (4.81 Gy(-1) Gbp(-1)), respectively. Based on the investigation of direct effects of radiation, it can be concluded that the DSB yield is largely correlated to the topological characteristics of DNA models, although the SSB yield is not. Moreover, according to the comparative results of the present study, a reliable candidate parameter for describing the relationship between DNA damage yields and geometry of DNA models in the theoretical radiation biology research studies would be the mean chord length (4 V/S) of the models.
Modeling the Effect of Nail Corrosion on the Lateral Strength of Joints

Treesearch

Samuel L. Zelinka; Douglas R. Rammer

2012-01-01

This article describes a theoretical method of linking fastener corrosion in wood connections to potential reduction in lateral shear strength. It builds upon published quantitative data of corrosion rates of metals in contact with treated wood for several different wood preservatives. These corrosion rates are then combined with yield theory equations to calculate a...
Conceptual Model of Research to Reduce Stigma Related to Mental Disorders in Adolescents

PubMed Central

Pinto-Foltz, Melissa D.; Logsdon, M. Cynthia

2010-01-01

Purpose: To explicate an initial conceptual model that is amenable to testing and guiding anti-stigma interventions with adolescents. Design/Sources Used: Multidisciplinary research and theoretical articles were reviewed. . Conclusions: The conceptual model may guide anti-stigma interventions, and undergo testing and refinement in the future to reflect scientific advances in stigma reduction among adolescents. Use of a conceptual model enhances empirical evaluation of anti-stigma interventions yielding a casual explanation for the intervention effects and enhances clinical applicability of interventions across settings. PMID:19916813
The sudden coalescene model of the boiling crisis

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

Carrica, P.M.; Clausse, A.

1995-09-01

A local two-phase flow integral model of nucleate boiling and crisis is presented. The model is based on average balances on a control volume, yielding to a set of three nonlinear differential equations for the local void fraction, bubble number density and velocity. Boiling crisis as critical heat flux is interpreted as a dynamic transition caused by the coalescence of bubbles near the heater. The theoretical dynamic model is compared with experimental results obtained for linear power ramps in a horizontal plate heater in R-113, showing an excellent qualitative agreement.
Theoretical model to explain the problem-solving process in physics

NASA Astrophysics Data System (ADS)

Lopez, Carlos

2011-03-01

This work reports a theoretical model developed with the aim to explain the mental mechanisms of knowledge building during the problem-solving process in physics using a hybrid approach of assimilation- formation of concepts. The model has been termed conceptual chains and represents graphic diagrams of conceptual dependency, which have yielded information about the background knowledge required during the learning process, as well as about the formation of diverse structures that correspond to distinct forms of networking concepts Additionally, the conceptual constructs of the model have been classified according to five types of knowledge. Evidence was found about the influence of these structures, as well as of the distinct types of knowledge about the degree of difficulty of the problems. I want to be grateful to Laureate International Universities, Baltimore M.D., USA, for the financing granted for the accomplishment of this work.
Theoretical X-ray production cross sections at incident photon energies across Li (i=1-3) absorption edges of Br

NASA Astrophysics Data System (ADS)

Puri, Sanjiv

2015-08-01

The X-ray production (XRP) cross sections, σLk (k = l, η, α, β6, β1, β3, β4, β9,10, γ1,5, γ2,3) have been evaluated at incident photon energies across the Li(i=1-3) absorption edge energies of 35Br using theoretical data sets of different physical parameters, namely, the Li(i=1-3) sub-shell the X-ray emission rates based on the Dirac-Fock (DF) model, the fluorescence and Coster Kronig yields based on the Dirac-Hartree-Slater (DHS) model, and two sets of the photoionisation cross sections based on the relativistic Hartree-Fock-Slater (RHFS) model and the Dirac-Fock (DF) model, in order to highlight the importance of electron exchange effects at photon energies in vicinity of absorption edge energies.
A theoretical method for the analysis and design of axisymmetric bodies. [flow distribution and incompressible fluids

NASA Technical Reports Server (NTRS)

Beatty, T. D.

1975-01-01

A theoretical method is presented for the computation of the flow field about an axisymmetric body operating in a viscous, incompressible fluid. A potential flow method was used to determine the inviscid flow field and to yield the boundary conditions for the boundary layer solutions. Boundary layer effects in the forces of displacement thickness and empirically modeled separation streamlines are accounted for in subsequent potential flow solutions. This procedure is repeated until the solutions converge. An empirical method was used to determine base drag allowing configuration drag to be computed.
Contrasting Models of Posttraumatic Stress Disorder: Reply to Monroe and Mineka (2008)

PubMed Central

Berntsen, Dorthe; Rubin, David C.; Johansen, Malene Klindt

2009-01-01

We address the four main points in Monroe and Mineka (2008)’s Comment. First, we first show that the DSM PTSD diagnosis includes an etiology and that it is based on a theoretical model with a distinguished history in psychology and psychiatry. Two tenets of this theoretical model are that voluntary (strategic) recollections of the trauma are fragmented and incomplete while involuntary (spontaneous) recollections are vivid and persistent and yield privileged access to traumatic material. Second, we describe differences between our model and other cognitive models of PTSD. We argue that these other models share the same two tenets as the diagnosis and we show that these two tenets are largely unsupported by empirical evidence. Third, we counter arguments about the strength of the evidence favoring the mnemonic model, and fourth, we show that concerns about the causal role of memory in PTSD are based on views of causality that are generally inappropriate for the explanation of PTSD in the social and biological sciences. PMID:20808720
Energy Potential of Biomass from Conservation Grasslands in Minnesota, USA

PubMed Central

Jungers, Jacob M.; Fargione, Joseph E.; Sheaffer, Craig C.; Wyse, Donald L.; Lehman, Clarence

2013-01-01

Perennial biomass from grasslands managed for conservation of soil and biodiversity can be harvested for bioenergy. Until now, the quantity and quality of harvestable biomass from conservation grasslands in Minnesota, USA, was not known, and the factors that affect bioenergy potential from these systems have not been identified. We measured biomass yield, theoretical ethanol conversion efficiency, and plant tissue nitrogen (N) as metrics of bioenergy potential from mixed-species conservation grasslands harvested with commercial-scale equipment. With three years of data, we used mixed-effects models to determine factors that influence bioenergy potential. Sixty conservation grassland plots, each about 8 ha in size, were distributed among three locations in Minnesota. Harvest treatments were applied annually in autumn as a completely randomized block design. Biomass yield ranged from 0.5 to 5.7 Mg ha−1. May precipitation increased biomass yield while precipitation in all other growing season months showed no affect. Averaged across all locations and years, theoretical ethanol conversion efficiency was 450 l Mg−1 and the concentration of plant N was 7.1 g kg−1, both similar to dedicated herbaceous bioenergy crops such as switchgrass. Biomass yield did not decline in the second or third year of harvest. Across years, biomass yields fluctuated 23% around the average. Surprisingly, forb cover was a better predictor of biomass yield than warm-season grass with a positive correlation with biomass yield in the south and a negative correlation at other locations. Variation in land ethanol yield was almost exclusively due to variation in biomass yield rather than biomass quality; therefore, efforts to increase biomass yield might be more economical than altering biomass composition when managing conservation grasslands for ethanol production. Our measurements of bioenergy potential, and the factors that control it, can serve as parameters for assessing the economic viability of harvesting conservation grasslands for bioenergy. PMID:23577208
Using a matrix-analytical approach to synthesizing evidence solved incompatibility problem in the hierarchy of evidence.

PubMed

Walach, Harald; Loef, Martin

2015-11-01

The hierarchy of evidence presupposes linearity and additivity of effects, as well as commutativity of knowledge structures. It thereby implicitly assumes a classical theoretical model. This is an argumentative article that uses theoretical analysis based on pertinent literature and known facts to examine the standard view of methodology. We show that the assumptions of the hierarchical model are wrong. The knowledge structures gained by various types of studies are not sequentially indifferent, that is, do not commute. External validity and internal validity are at least partially incompatible concepts. Therefore, one needs a different theoretical structure, typical of quantum-type theories, to model this situation. The consequence of this situation is that the implicit assumptions of the hierarchical model are wrong, if generalized to the concept of evidence in total. The problem can be solved by using a matrix-analytical approach to synthesizing evidence. Here, research methods that produce different types of evidence that complement each other are synthesized to yield the full knowledge. We show by an example how this might work. We conclude that the hierarchical model should be complemented by a broader reasoning in methodology. Copyright © 2015 Elsevier Inc. All rights reserved.
The yield and decay coefficients of exoelectrogenic bacteria in bioelectrochemical systems.

PubMed

Wilson, Erica L; Kim, Younggy

2016-05-01

In conventional wastewater treatment, waste sludge management and disposal contribute the major cost for wastewater treatment. Bioelectrochemical systems, as a potential alternative for future wastewater treatment and resources recovery, are expected to produce small amounts of waste sludge because exoelectrogenic bacteria grow on anaerobic respiration and form highly populated biofilms on bioanode surfaces. While waste sludge production is governed by the yield and decay coefficient, none of previous studies have quantified these kinetic constants for exoelectrogenic bacteria. For yield coefficient estimation, we modified McCarty's free energy-based model by using the bioanode potential for the free energy of the electron acceptor reaction. The estimated true yield coefficient ranged 0.1 to 0.3 g-VSS (volatile suspended solids) g-COD(-1) (chemical oxygen demand), which is similar to that of most anaerobic microorganisms. The yield coefficient was sensitively affected by the bioanode potential and pH while the substrate and bicarbonate concentrations had relatively minor effects on the yield coefficient. In lab-scale experiments using microbial electrolysis cells, the observed yield coefficient (including the effect of cell decay) was found to be 0.020 ± 0.008 g-VSS g-COD(-1), which is an order of magnitude smaller than the theoretical estimation. Based on the difference between the theoretical and experimental results, the decay coefficient was approximated to be 0.013 ± 0.002 d(-1). These findings indicate that bioelectrochemical systems have potential for future wastewater treatment with reduced waste sludge as well as for resources recovery. Also, the found kinetic information will allow accurate estimation of wastewater treatment performance in bioelectrochemical systems. Copyright © 2016 Elsevier Ltd. All rights reserved.
Associated charmonium production in low energy pp annihilation

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

Barnes, T.; Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996; Li, X.

2007-03-01

The QCD mechanisms underlying the exclusive strong decays and hadronic production amplitudes of charmonium remain poorly understood, despite decades of study and an increasingly detailed body of experimental information. One set of hadronic channels of special interest are those that include baryon-antibaryon states. These are being investigated experimentally at BES and CLEO-c in terms of their baryon resonance content, and are also of interest for the future PANDA experiment, in which charmonium and charmonium hybrids will be produced in pp annihilation in association with light mesons. In this paper we develop a simple initial-state light meson emission model of themore » near-threshold associated charmonium production processes pp{yields}{pi}{sup 0}{psi}, and evaluate the differential and total cross sections for these reactions in this model. (Here we consider the states {psi}={eta}{sub c}, J/{psi}, {psi}{sup '}, {chi}{sub 0} and {chi}{sub 1}.) The predicted near-threshold cross section for pp{yields}{pi}{sup 0}J/{psi} is found to be numerically similar to two previous theoretical estimates, and is roughly comparable to the (sparse) existing data for this process. The theoretical charmonium angular distributions predicted by this model are far from isotropic, which may be of interest for PANDA detector design studies.« less
Dilepton production from hot hadronic matter in nonequilibrium

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

Schenke, B.; Greiner, C.

2006-03-15

The influence of time-dependent medium modifications of low-mass vector mesons on dilepton production is investigated within a nonequilibrium quantum field-theoretical description on the basis of the Kadanoff-Baym equations. Time scales for the adaption of the spectral properties to changing self-energies are given, and, under use of a model for the fireball evolution, nonequilibrium dilepton yields from the decay of {rho} and {omega} mesons are calculated. In a comparison of these yields, those from calculations that assume instantaneous (Markovian) adaption to the changing-medium quantum-mechanical memory effects turn out to be important.
Two-photon coincident emission from thick targets for 70-keV incident electrons

NASA Astrophysics Data System (ADS)

Liu, J.; Kahler, D. L.; Quarles, C. A.

1993-04-01

Two-photon coincidence yields have been measured in thick targets of C, Al, Ag, and Ta for 70 keV incident electrons and photons radiated at +/-45° to the incident beam. A theoretical model, which is more rigorous, has been developed to simulate the two-photon processes of coherent thick-target double bremsstrahlung (TTDB) and the incoherent emission of two single-bremsstrahlung (SBSB) photons in a thick-target environment. The model is based on an integration of the thin-target cross sections over the target thickness taking into account electron energy loss, electron backscattering, and photon attenuation. It predicts a yield that is much lower than that of the previous model. The prediction of the model fits the present experimental data well by adjusting the relative weight of the two competing processes, and we find that TTDB dominates at low Z and incoherent SBSB dominates at higher Z.
Theoretical predictor for candidate structure assignment from IMS data of biomolecule-related conformational space.

PubMed

Schenk, Emily R; Nau, Frederic; Fernandez-Lima, Francisco

2015-06-01

The ability to correlate experimental ion mobility data with candidate structures from theoretical modeling provides a powerful analytical and structural tool for the characterization of biomolecules. In the present paper, a theoretical workflow is described to generate and assign candidate structures for experimental trapped ion mobility and H/D exchange (HDX-TIMS-MS) data following molecular dynamics simulations and statistical filtering. The applicability of the theoretical predictor is illustrated for a peptide and protein example with multiple conformations and kinetic intermediates. The described methodology yields a low computational cost and a simple workflow by incorporating statistical filtering and molecular dynamics simulations. The workflow can be adapted to different IMS scenarios and CCS calculators for a more accurate description of the IMS experimental conditions. For the case of the HDX-TIMS-MS experiments, molecular dynamics in the "TIMS box" accounts for a better sampling of the molecular intermediates and local energy minima.
Yielding to Stress: Recent Developments in Viscoplastic Fluid Mechanics

NASA Astrophysics Data System (ADS)

Balmforth, Neil J.; Frigaard, Ian A.; Ovarlez, Guillaume

2014-01-01

The archetypal feature of a viscoplastic fluid is its yield stress: If the material is not sufficiently stressed, it behaves like a solid, but once the yield stress is exceeded, the material flows like a fluid. Such behavior characterizes materials common in industries such as petroleum and chemical processing, cosmetics, and food processing and in geophysical fluid dynamics. The most common idealization of a viscoplastic fluid is the Bingham model, which has been widely used to rationalize experimental data, even though it is a crude oversimplification of true rheological behavior. The popularity of the model is in its apparent simplicity. Despite this, the sudden transition between solid-like behavior and flow introduces significant complications into the dynamics, which, as a result, has resisted much analysis. Over recent decades, theoretical developments, both analytical and computational, have provided a better understanding of the effect of the yield stress. Simultaneously, greater insight into the material behavior of real fluids has been afforded by advances in rheometry. These developments have primed us for a better understanding of the various applications in the natural and engineering sciences.
Plateletpheresis efficiency and mathematical correction of software-derived platelet yield prediction: A linear regression and ROC modeling approach.

PubMed

Jaime-Pérez, José Carlos; Jiménez-Castillo, Raúl Alberto; Vázquez-Hernández, Karina Elizabeth; Salazar-Riojas, Rosario; Méndez-Ramírez, Nereida; Gómez-Almaguer, David

2017-10-01

Advances in automated cell separators have improved the efficiency of plateletpheresis and the possibility of obtaining double products (DP). We assessed cell processor accuracy of predicted platelet (PLT) yields with the goal of a better prediction of DP collections. This retrospective proof-of-concept study included 302 plateletpheresis procedures performed on a Trima Accel v6.0 at the apheresis unit of a hematology department. Donor variables, software predicted yield and actual PLT yield were statistically evaluated. Software prediction was optimized by linear regression analysis and its optimal cut-off to obtain a DP assessed by receiver operating characteristic curve (ROC) modeling. Three hundred and two plateletpheresis procedures were performed; in 271 (89.7%) occasions, donors were men and in 31 (10.3%) women. Pre-donation PLT count had the best direct correlation with actual PLT yield (r = 0.486. P < .001). Means of software machine-derived values differed significantly from actual PLT yield, 4.72 × 10 11 vs.6.12 × 10 11 , respectively, (P < .001). The following equation was developed to adjust these values: actual PLT yield= 0.221 + (1.254 × theoretical platelet yield). ROC curve model showed an optimal apheresis device software prediction cut-off of 4.65 × 10 11 to obtain a DP, with a sensitivity of 82.2%, specificity of 93.3%, and an area under the curve (AUC) of 0.909. Trima Accel v6.0 software consistently underestimated PLT yields. Simple correction derived from linear regression analysis accurately corrected this underestimation and ROC analysis identified a precise cut-off to reliably predict a DP. © 2016 Wiley Periodicals, Inc.

Ramsey-type spectroscopy in the XUV spectral region

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

Pirri, A.; European Laboratory for Nonlinear Spectroscopy, Via N. Carrara 1, I-50019 Sesto Fiorentino; Sali, E.

2010-02-02

We report an experimental and theoretical investigation of Ramsey-type spectroscopy with high-order harmonic generation applied to autoionizing states of Krypton. The ionization yield, detected by an ion-mass spectrometer, shows the characteristic quantum interference pattern. The behaviour of the fringe contrast was interpreted on the basis of a simple analytic model, which reproduces the experimental data without any free parameter.
Perspectives in metabolic engineering: understanding cellular regulation towards the control of metabolic routes.

PubMed

Zadran, Sohila; Levine, Raphael D

2013-01-01

Metabolic engineering seeks to redirect metabolic pathways through the modification of specific biochemical reactions or the introduction of new ones with the use of recombinant technology. Many of the chemicals synthesized via introduction of product-specific enzymes or the reconstruction of entire metabolic pathways into engineered hosts that can sustain production and can synthesize high yields of the desired product as yields of natural product-derived compounds are frequently low, and chemical processes can be both energy and material expensive; current endeavors have focused on using biologically derived processes as alternatives to chemical synthesis. Such economically favorable manufacturing processes pursue goals related to sustainable development and "green chemistry". Metabolic engineering is a multidisciplinary approach, involving chemical engineering, molecular biology, biochemistry, and analytical chemistry. Recent advances in molecular biology, genome-scale models, theoretical understanding, and kinetic modeling has increased interest in using metabolic engineering to redirect metabolic fluxes for industrial and therapeutic purposes. The use of metabolic engineering has increased the productivity of industrially pertinent small molecules, alcohol-based biofuels, and biodiesel. Here, we highlight developments in the practical and theoretical strategies and technologies available for the metabolic engineering of simple systems and address current limitations.
Systematic optimization of fed-batch simultaneous saccharification and fermentation at high-solid loading based on enzymatic hydrolysis and dynamic metabolic modeling of Saccharomyces cerevisiae.

PubMed

Unrean, Pornkamol; Khajeeram, Sutamat; Laoteng, Kobkul

2016-03-01

An integrative simultaneous saccharification and fermentation (SSF) modeling is a useful guiding tool for rapid process optimization to meet the techno-economic requirement of industrial-scale lignocellulosic ethanol production. In this work, we have developed the SSF model composing of a metabolic network of a Saccharomyces cerevisiae cell associated with fermentation kinetics and enzyme hydrolysis model to quantitatively capture dynamic responses of yeast cell growth and fermentation during SSF. By using model-based design of feeding profiles for substrate and yeast cell in the fed-batch SSF process, an efficient ethanol production with high titer of up to 65 g/L and high yield of 85 % of theoretical yield was accomplished. The ethanol titer and productivity was increased by 47 and 41 %, correspondingly, in optimized fed-batch SSF as compared to batch process. The developed integrative SSF model is, therefore, considered as a promising approach for systematic design of economical and sustainable SSF bioprocessing of lignocellulose.
Yield surface evolution for columnar ice

NASA Astrophysics Data System (ADS)

Zhou, Zhiwei; Ma, Wei; Zhang, Shujuan; Mu, Yanhu; Zhao, Shunpin; Li, Guoyu

A series of triaxial compression tests, which has capable of measuring the volumetric strain of the sample, were conducted on columnar ice. A new testing approach of probing the experimental yield surface was performed from a single sample in order to investigate yield and hardening behaviors of the columnar ice under complex stress states. Based on the characteristic of the volumetric strain, a new method of defined the multiaxial yield strengths of the columnar ice is proposed. The experimental yield surface remains elliptical shape in the stress space of effective stress versus mean stress. The effect of temperature, loading rate and loading path in the initial yield surface and deformation properties of the columnar ice were also studied. Subsequent yield surfaces of the columnar ice have been explored by using uniaxial and hydrostatic paths. The evolution of the subsequent yield surface exhibits significant path-dependent characteristics. The multiaxial hardening law of the columnar ice was established experimentally. A phenomenological yield criterion was presented for multiaxial yield and hardening behaviors of the columnar ice. The comparisons between the theoretical and measured results indicate that this current model is capable of giving a reasonable prediction for the multiaxial yield and post-yield properties of the columnar ice subjected to different temperature, loading rate and path conditions.
Thermo-electric transport in gauge/gravity models with momentum dissipation

NASA Astrophysics Data System (ADS)

Amoretti, Andrea; Braggio, Alessandro; Maggiore, Nicola; Magnoli, Nicodemo; Musso, Daniele

2014-09-01

We present a systematic definition and analysis of the thermo-electric linear response in gauge/gravity systems focusing especially on models with massive gravity in the bulk and therefore momentum dissipation in the dual field theory. A precise treatment of finite counter-terms proves to be essential to yield a consistent physical picture whose hydrodynamic and beyond-hydrodynamics behaviors noticeably match with field theoretical expectations. The model furnishes a possible gauge/gravity description of the crossover from the quantum-critical to the disorder-dominated Fermi-liquid behaviors, as expected in graphene.
Modeling of optical mirror and electromechanical behavior

NASA Astrophysics Data System (ADS)

Wang, Fang; Lu, Chao; Liu, Zishun; Liu, Ai Q.; Zhang, Xu M.

2001-10-01

This paper presents finite element (FE) simulation and theoretical analysis of novel MEMS fiber-optical switches actuated by electrostatic attraction. FE simulation for the switches under static and dynamic loading are first carried out to reveal the mechanical characteristics of the minimum or critical switching voltages, the natural frequencies, mode shapes and response under different levels of electrostatic attraction load. To validate the FE simulation results, a theoretical (or analytical) model is then developed for one specific switch, i.e., Plate_40_104. Good agreement is found between the FE simulation and the analytical results. From both FE simulation and theoretical analysis, the critical switching voltage for Plate_40_104 is derived to be 238 V for the switching angel of 12 degree(s). The critical switching on and off times are 431 microsecond(s) and 67 microsecond(s) , respectively. The present study not only develops good FE and analytical models, but also demonstrates step by step a method to simplify a real optical switch structure with reference to the FE simulation results for analytical purpose. With the FE and analytical models, it is easy to obtain any information about the mechanical behaviors of the optical switches, which are helpful in yielding optimized design.
Light scattering microscopy measurements of single nuclei compared with GPU-accelerated FDTD simulations

NASA Astrophysics Data System (ADS)

Stark, Julian; Rothe, Thomas; Kieß, Steffen; Simon, Sven; Kienle, Alwin

2016-04-01

Single cell nuclei were investigated using two-dimensional angularly and spectrally resolved scattering microscopy. We show that even for a qualitative comparison of experimental and theoretical data, the standard Mie model of a homogeneous sphere proves to be insufficient. Hence, an accelerated finite-difference time-domain method using a graphics processor unit and domain decomposition was implemented to analyze the experimental scattering patterns. The measured cell nuclei were modeled as single spheres with randomly distributed spherical inclusions of different size and refractive index representing the nucleoli and clumps of chromatin. Taking into account the nuclear heterogeneity of a large number of inclusions yields a qualitative agreement between experimental and theoretical spectra and illustrates the impact of the nuclear micro- and nanostructure on the scattering patterns.
Light scattering microscopy measurements of single nuclei compared with GPU-accelerated FDTD simulations.

PubMed

Stark, Julian; Rothe, Thomas; Kieß, Steffen; Simon, Sven; Kienle, Alwin

2016-04-07

Single cell nuclei were investigated using two-dimensional angularly and spectrally resolved scattering microscopy. We show that even for a qualitative comparison of experimental and theoretical data, the standard Mie model of a homogeneous sphere proves to be insufficient. Hence, an accelerated finite-difference time-domain method using a graphics processor unit and domain decomposition was implemented to analyze the experimental scattering patterns. The measured cell nuclei were modeled as single spheres with randomly distributed spherical inclusions of different size and refractive index representing the nucleoli and clumps of chromatin. Taking into account the nuclear heterogeneity of a large number of inclusions yields a qualitative agreement between experimental and theoretical spectra and illustrates the impact of the nuclear micro- and nanostructure on the scattering patterns.
Grain coarsening in two-dimensional phase-field models with an orientation field

NASA Astrophysics Data System (ADS)

Korbuly, Bálint; Pusztai, Tamás; Henry, Hervé; Plapp, Mathis; Apel, Markus; Gránásy, László

2017-05-01

In the literature, contradictory results have been published regarding the form of the limiting (long-time) grain size distribution (LGSD) that characterizes the late stage grain coarsening in two-dimensional and quasi-two-dimensional polycrystalline systems. While experiments and the phase-field crystal (PFC) model (a simple dynamical density functional theory) indicate a log-normal distribution, other works including theoretical studies based on conventional phase-field simulations that rely on coarse grained fields, like the multi-phase-field (MPF) and orientation field (OF) models, yield significantly different distributions. In a recent work, we have shown that the coarse grained phase-field models (whether MPF or OF) yield very similar limiting size distributions that seem to differ from the theoretical predictions. Herein, we revisit this problem, and demonstrate in the case of OF models [R. Kobayashi, J. A. Warren, and W. C. Carter, Physica D 140, 141 (2000), 10.1016/S0167-2789(00)00023-3; H. Henry, J. Mellenthin, and M. Plapp, Phys. Rev. B 86, 054117 (2012), 10.1103/PhysRevB.86.054117] that an insufficient resolution of the small angle grain boundaries leads to a log-normal distribution close to those seen in the experiments and the molecular scale PFC simulations. Our paper indicates, furthermore, that the LGSD is critically sensitive to the details of the evaluation process, and raises the possibility that the differences among the LGSD results from different sources may originate from differences in the detection of small angle grain boundaries.
An engineered non-oxidative glycolysis pathway for acetone production in Escherichia coli.

PubMed

Yang, Xiaoyan; Yuan, Qianqian; Zheng, Yangyang; Ma, Hongwu; Chen, Tao; Zhao, Xueming

2016-08-01

To find new metabolic engineering strategies to improve the yield of acetone in Escherichia coli. Results of flux balance analysis from a modified Escherichia coli genome-scale metabolic network suggested that the introduction of a non-oxidative glycolysis (NOG) pathway would improve the theoretical acetone yield from 1 to 1.5 mol acetone/mol glucose. By inserting the fxpk gene encoding phosphoketolase from Bifidobacterium adolescentis into the genome, we constructed a NOG pathway in E.coli. The resulting strain produced 47 mM acetone from glucose under aerobic conditions in shake-flasks. The yield of acetone was improved from 0.38 to 0.47 mol acetone/mol glucose which is a significant over the parent strain. Guided by computational analysis of metabolic networks, we introduced a NOG pathway into E. coli and increased the yield of acetone, which demonstrates the importance of modeling analysis for the novel metabolic engineering strategies.
Simultaneous saccharification and fermentation of steam exploded duckweed: Improvement of the ethanol yield by increasing yeast titre

PubMed Central

Zhao, X.; Moates, G.K.; Elliston, A.; Wilson, D.R.; Coleman, M.J.; Waldron, K.W.

2015-01-01

This study investigated the conversion of Lemna minor biomass to bioethanol. The biomass was pre-treated by steam explosion (SE, 210 °C, 10 min) and then subjected to simultaneous saccharification and fermentation (SSF) using Cellic® CTec 2 (20 U or 0.87 FPU g−1 substrate) cellulase plus β-glucosidase (2 U g−1 substrate) and a yeast inoculum of 10% (v/v or 8.0 × 107 cells mL−1). At a substrate concentration of 1% (w/v) an ethanol yield of 80% (w/w, theoretical) was achieved. However at a substrate concentration of 20% (w/v), the ethanol yield was lowered to 18.8% (w/w, theoretical). Yields were considerably improved by increasing the yeast titre in the inoculum or preconditioning the yeast on steam exploded liquor. These approaches enhanced the ethanol yield up to 70% (w/w, theoretical) at a substrate concentration of 20% (w/v) by metabolising fermentation inhibitors. PMID:26210138
Simultaneous saccharification and fermentation of steam exploded duckweed: Improvement of the ethanol yield by increasing yeast titre.

PubMed

Zhao, X; Moates, G K; Elliston, A; Wilson, D R; Coleman, M J; Waldron, K W

2015-10-01

This study investigated the conversion of Lemna minor biomass to bioethanol. The biomass was pre-treated by steam explosion (SE, 210°C, 10 min) and then subjected to simultaneous saccharification and fermentation (SSF) using Cellic® CTec 2 (20 U or 0.87 FPU g(-1) substrate) cellulase plus β-glucosidase (2 U g(-1) substrate) and a yeast inoculum of 10% (v/v or 8.0×10(7) cells mL(-1)). At a substrate concentration of 1% (w/v) an ethanol yield of 80% (w/w, theoretical) was achieved. However at a substrate concentration of 20% (w/v), the ethanol yield was lowered to 18.8% (w/w, theoretical). Yields were considerably improved by increasing the yeast titre in the inoculum or preconditioning the yeast on steam exploded liquor. These approaches enhanced the ethanol yield up to 70% (w/w, theoretical) at a substrate concentration of 20% (w/v) by metabolising fermentation inhibitors. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.
Model and Dynamic Behavior of Malware Propagation over Wireless Sensor Networks

NASA Astrophysics Data System (ADS)

Song, Yurong; Jiang, Guo-Ping

Based on the inherent characteristics of wireless sensor networks (WSN), the dynamic behavior of malware propagation in flat WSN is analyzed and investigated. A new model is proposed using 2-D cellular automata (CA), which extends the traditional definition of CA and establishes whole transition rules for malware propagation in WSN. Meanwhile, the validations of the model are proved through theoretical analysis and simulations. The theoretical analysis yields closed-form expressions which show good agreement with the simulation results of the proposed model. It is shown that the malware propaga-tion in WSN unfolds neighborhood saturation, which dominates the effects of increasing infectivity and limits the spread of the malware. MAC mechanism of wireless sensor networks greatly slows down the speed of malware propagation and reduces the risk of large-scale malware prevalence in these networks. The proposed model can describe accurately the dynamic behavior of malware propagation over WSN, which can be applied in developing robust and efficient defense system on WSN.
Fishing diseased abalone to promote yield and conservation

PubMed Central

Ben-Horin, Tal; Bidegain, Gorka; Lenihan, Hunter S.

2016-01-01

Past theoretical models suggest fishing disease-impacted stocks can reduce parasite transmission, but this is a good management strategy only when the exploitation required to reduce transmission does not overfish the stock. We applied this concept to a red abalone fishery so impacted by an infectious disease (withering syndrome) that stock densities plummeted and managers closed the fishery. In addition to the non-selective fishing strategy considered by past disease-fishing models, we modelled targeting (culling) infected individuals, which is plausible in red abalone because modern diagnostic tools can determine infection without harming landed abalone and the diagnostic cost is minor relative to the catch value. The non-selective abalone fishing required to eradicate parasites exceeded thresholds for abalone sustainability, but targeting infected abalone allowed the fishery to generate yield and reduce parasite prevalence while maintaining stock densities at or above the densities attainable if the population was closed to fishing. The effect was strong enough that stock and yield increased even when the catch was one-third uninfected abalone. These results could apply to other fisheries as the diagnostic costs decline relative to catch value. PMID:26880843
Fishing diseased abalone to promote yield and conservation.

PubMed

Ben-Horin, Tal; Lafferty, Kevin D; Bidegain, Gorka; Lenihan, Hunter S

2016-03-05

Past theoretical models suggest fishing disease-impacted stocks can reduce parasite transmission, but this is a good management strategy only when the exploitation required to reduce transmission does not overfish the stock. We applied this concept to a red abalone fishery so impacted by an infectious disease (withering syndrome) that stock densities plummeted and managers closed the fishery. In addition to the non-selective fishing strategy considered by past disease-fishing models, we modelled targeting (culling) infected individuals, which is plausible in red abalone because modern diagnostic tools can determine infection without harming landed abalone and the diagnostic cost is minor relative to the catch value. The non-selective abalone fishing required to eradicate parasites exceeded thresholds for abalone sustainability, but targeting infected abalone allowed the fishery to generate yield and reduce parasite prevalence while maintaining stock densities at or above the densities attainable if the population was closed to fishing. The effect was strong enough that stock and yield increased even when the catch was one-third uninfected abalone. These results could apply to other fisheries as the diagnostic costs decline relative to catch value. © 2016 The Author(s).
Fishing diseased abalone to promote yield and conservation

USGS Publications Warehouse

Ben-Horin, Tal; Lafferty, Kevin D.; Bidegain, Gorka; Lenihan, Hunter S.

2016-01-01

Past theoretical models suggest fishing disease-impacted stocks can reduce parasite transmission, but this is a good management strategy only when the exploitation required to reduce transmission does not overfish the stock. We applied this concept to a red abalone fishery so impacted by an infectious disease (withering syndrome) that stock densities plummeted and managers closed the fishery. In addition to the non-selective fishing strategy considered by past disease-fishing models, we modelled targeting (culling) infected individuals, which is plausible in red abalone because modern diagnostic tools can determine infection without harming landed abalone and the diagnostic cost is minor relative to the catch value. The non-selective abalone fishing required to eradicate parasites exceeded thresholds for abalone sustainability, but targeting infected abalone allowed the fishery to generate yield and reduce parasite prevalence while maintaining stock densities at or above the densities attainable if the population was closed to fishing. The effect was strong enough that stock and yield increased even when the catch was one-third uninfected abalone. These results could apply to other fisheries as the diagnostic costs decline relative to catch value.
Critique of Macro Flow/Damage Surface Representations for Metal Matrix Composites Using Micromechanics

NASA Technical Reports Server (NTRS)

Lissenden, Cliff J.; Arnold, Steven M.

1996-01-01

Guidance for the formulation of robust, multiaxial, constitutive models for advanced materials is provided by addressing theoretical and experimental issues using micromechanics. The multiaxial response of metal matrix composites, depicted in terms of macro flow/damage surfaces, is predicted at room and elevated temperatures using an analytical micromechanical model that includes viscoplastic matrix response as well as fiber-matrix debonding. Macro flow/damage surfaces (i.e., debonding envelopes, matrix threshold surfaces, macro 'yield' surfaces, surfaces of constant inelastic strain rate, and surfaces of constant dissipation rate) are determined for silicon carbide/titanium in three stress spaces. Residual stresses are shown to offset the centers of the flow/damage surfaces from the origin and their shape is significantly altered by debonding. The results indicate which type of flow/damage surfaces should be characterized and what loadings applied to provide the most meaningful experimental data for guiding theoretical model development and verification.
Explosion Source Modeling, Seismic Waveform Prediction and Yield Verification Research

DTIC Science & Technology

1976-05-01

TITLE (and S..bsdtl.) S. TYPE Of REPORT & PERIOD COVERED- r~r.s~oNscu ~ ~ ~ Q arterly Technical1 Report nicri~ ~ ~n v c~’i ~ ESE ~ ~ Feb. 1, 1976 -i...Description of the techni- que and the constitutive models may be found in Cherry, et al. (1975). KASSERI was detonated in ash flow tuff at Area 20...With these theoretical records we can reduce the measurement errors to nearly vanishing. Rather ’ than measuring by eye, a parabola is fit to the
Comparison of experimental surface pressures with theoretical predictions on twin two-dimensional convergent-divergent nozzles

NASA Technical Reports Server (NTRS)

Carlson, J. R.; Pendergraft, O. C., Jr.; Burley, J. R., II

1986-01-01

A three-dimensional subsonic aerodynamic panel code (VSAERO) was used to predict the effects of upper and lower external nozzle flap geometry on the external afterbody/nozzle pressure coefficient distributions and external nozzle drag of nonaxisymmetric convergent-divergent exhaust nozzles having parallel external sidewalls installed on a generic twin-engine high performance aircraft model. Nozzle static pressure coefficient distributions along the upper and lower surfaces near the model centerline and near the outer edges (corner) of the two surfaces were calculated, and nozzle drag was predicted using these surface pressure distributions. A comparison between the theoretical predictions and experimental wind tunnel data is made to evaluate the utility of the code in calculating the flow about these types of non-axisymmetric afterbody configurations. For free-stream Mach numbers of 0.60 and 0.90, the conditions where the flows were attached on the boattails yielded the best comparison between the theoretical predictions and the experimental data. For the Boattail terminal angles of greater than 15 deg., the experimental data for M = 0.60 and 0.90 indicated areas of separated flow, so the theoretical predictions failed to match the experimental data. Even though calculations of regions of separated flows are within the capabilities of the theoretical method, acceptable solutions were not obtained.
Comparison of Fission Product Yields and Their Impact

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

S. Harrison

2006-02-01

This memorandum describes the Naval Reactors Prime Contractor Team (NRPCT) Space Nuclear Power Program (SNPP) interest in determining the expected fission product yields from a Prometheus-type reactor and assessing the impact of these species on materials found in the fuel element and balance of plant. Theoretical yield calculations using ORIGEN-S and RACER computer models are included in graphical and tabular form in Attachment, with focus on the desired fast neutron spectrum data. The known fission product interaction concerns are the corrosive attack of iron- and nickel-based alloys by volatile fission products, such as cesium, tellurium, and iodine, and the radiologicalmore » transmutation of krypton-85 in the coolant to rubidium-85, a potentially corrosive agent to the coolant system metal piping.« less

Nonlinear propagation model for ultrasound hydrophones calibration in the frequency range up to 100 MHz.

PubMed

Radulescu, E G; Wójcik, J; Lewin, P A; Nowicki, A

2003-06-01

To facilitate the implementation and verification of the new ultrasound hydrophone calibration techniques described in the companion paper (somewhere in this issue) a nonlinear propagation model was developed. A brief outline of the theoretical considerations is presented and the model's advantages and disadvantages are discussed. The results of simulations yielding spatial and temporal acoustic pressure amplitude are also presented and compared with those obtained using KZK and Field II models. Excellent agreement between all models is evidenced. The applicability of the model in discrete wideband calibration of hydrophones is documented in the companion paper somewhere in this volume.
Quantum yield measurements of light-induced H₂ generation in a photosystem I-[FeFe]-H₂ase nanoconstruct.

PubMed

Applegate, Amanda M; Lubner, Carolyn E; Knörzer, Philipp; Happe, Thomas; Golbeck, John H

2016-01-01

The quantum yield for light-induced H2 generation was measured for a previously optimized bio-hybrid cytochrome c 6-crosslinked PSI(C13G)-1,8-octanedithiol-[FeFe]-H2ase(C97G) (PSI-H2ase) nanoconstruct. The theoretical quantum yield for the PSI-H2ase nanoconstruct is 0.50 molecules of H2 per photon absorbed, which equates to a requirement of two photons per H2 generated. Illumination of the PSI-H2ase nanoconstruct with visible light between 400 and 700 nm resulted in an average quantum yield of 0.10-0.15 molecules of H2 per photon absorbed, which equates to a requirement of 6.7-10 photons per H2 generated. A possible reason for the difference between the theoretical and experimental quantum yield is the occurrence of non-productive PSI(C13G)-1,8-octanedithiol-PSIC13G (PSI-PSI) conjugates, which would absorb light without generating H2. Assuming the thiol-Fe coupling is equally efficient at producing PSI-PSI conjugates as well as in producing PSI-H2ase nanoconstructs, the theoretical quantum yield would decrease to 0.167 molecules of H2 per photon absorbed, which equates to 6 photons per H2 generated. This value is close to the range of measured values in the current study. A strategy that purifies the PSI-H2ase nanoconstructs from the unproductive PSI-PSI conjugates or that incorporates different chemistries on the PSI and [FeFe]-H2ase enzyme sites could potentially allow the PSI-H2ase nanoconstruct to approach the expected theoretical quantum yield for light-induced H2 generation.
Predicting equilibrium states with Reynolds stress closures in channel flow and homogeneous shear flow

NASA Technical Reports Server (NTRS)

Abid, R.; Speziale, C. G.

1993-01-01

Turbulent channel flow and homogeneous shear flow have served as basic building block flows for the testing and calibration of Reynolds stress models. A direct theoretical connection is made between homogeneous shear flow in equilibrium and the log-layer of fully-developed turbulent channel flow. It is shown that if a second-order closure model is calibrated to yield good equilibrium values for homogeneous shear flow it will also yield good results for the log-layer of channel flow provided that the Rotta coefficient is not too far removed from one. Most of the commonly used second-order closure models introduce an ad hoc wall reflection term in order to mask deficient predictions for the log-layer of channel flow that arise either from an inaccurate calibration of homogeneous shear flow or from the use of a Rotta coefficient that is too large. Illustrative model calculations are presented to demonstrate this point which has important implications for turbulence modeling.
Predicting equilibrium states with Reynolds stress closures in channel flow and homogeneous shear flow

NASA Technical Reports Server (NTRS)

Abid, R.; Speziale, C. G.

1992-01-01

Turbulent channel flow and homogeneous shear flow have served as basic building block flows for the testing and calibration of Reynolds stress models. A direct theoretical connection is made between homogeneous shear flow in equilibrium and the log-layer of fully-developed turbulent channel flow. It is shown that if a second-order closure model is calibrated to yield good equilibrium values for homogeneous shear flow it will also yield good results for the log-layer of channel flow provided that the Rotta coefficient is not too far removed from one. Most of the commonly used second-order closure models introduce an ad hoc wall reflection term in order to mask deficient predictions for the log-layer of channel flow that arise either from an inaccurate calibration of homogeneous shear flow or from the use of a Rotta coefficient that is too large. Illustrative model calculations are presented to demonstrate this point which has important implications for turbulence modeling.
Analysis of the trade-off between high crop yield and low yield instability at the global scale

NASA Astrophysics Data System (ADS)

Ben-Ari, Tamara; Makowski, David

2016-10-01

Yield dynamics of major crops species vary remarkably among continents. Worldwide distribution of cropland influences both the expected levels and the interannual variability of global yields. An expansion of cultivated land in the most productive areas could theoretically increase global production, but also increase global yield instability if the most productive regions are characterized by high interannual yield variability. In this letter, we use portfolio analysis to quantify the tradeoff between the expected values and the interannual variance of global yield. We compute optimal frontiers for four crop species i.e., maize, rice, soybean and wheat and show how the distribution of cropland among large world regions can be optimized to either increase expected global crop production or decrease its interannual variability. We also show that a preferential allocation of cropland in the most productive regions can increase global expected yield at the expense of yield stability. Theoretically, optimizing the distribution of a small fraction of total cultivated areas can help find a good compromise between low instability and high crop yields at the global scale.
Calculated quantum yield of photosynthesis of phytoplankton in the Marine Light-Mixed Layers (59 deg N, 21 deg W)

NASA Technical Reports Server (NTRS)

Carder, K. L.; Lee, Z. P.; Marra, John; Steward, R. G.; Perry, M. J.

1995-01-01

The quantum yield of photosynthesis (mol C/mol photons) was calculated at six depths for the waters of the Marine Light-Mixed Layer (MLML) cruise of May 1991. As there were photosynthetically available radiation (PAR) but no spectral irradiance measurements for the primary production incubations, three ways are presented here for the calculation of the absorbed photons (AP) by phytoplankton for the purpose of calculating phi. The first is based on a simple, nonspectral model; the second is based on a nonlinear regression using measured PAR values with depth; and the third is derived through remote sensing measurements. We show that the results of phi calculated using the nonlinear regreesion method and those using remote sensing are in good agreement with each other, and are consistent with the reported values of other studies. In deep waters, however, the simple nonspectral model may cause quantum yield values much higher than theoretically possible.
Kinetics of carbon clustering in detonation of high explosives: Does theory match experiment?

NASA Astrophysics Data System (ADS)

Velizhanin, Kirill; Watkins, Erik; Dattelbaum, Dana; Gustavsen, Richard; Aslam, Tariq; Podlesak, David; Firestone, Millicent; Huber, Rachel; Ringstrand, Bryan; Willey, Trevor; Bagge-Hansen, Michael; Hodgin, Ralph; Lauderbach, Lisa; van Buuren, Tony; Sinclair, Nicholas; Rigg, Paulo; Seifert, Soenke; Gog, Thomas

2017-06-01

Chemical reactions in detonation of carbon-rich high explosives yield carbon clusters as major constituents of the products. Efforts to model carbon clustering as a diffusion-limited irreversible coagulation of carbon clusters go back to the seminal paper by Shaw and Johnson. However, first direct experimental observations of the kinetics of clustering yielded cluster growth one to two orders of magnitude slower than theoretical predictions. Multiple efforts were undertaken to test and revise the basic assumptions of the model in order to achieve better agreement with experiment. We discuss our very recent direct experimental observations of carbon clustering dynamics and demonstrate that these new results are in much better agreement with the modified Shaw-Johnson model. The implications of this much better agreement on our present understanding of detonation carbon clustering processes and possible ways to increase the agreement between theory and experiment even further are discussed.
Laboratory experiments in the study of the chemistry of the outer planets.

PubMed

Scattergood, T W

1987-01-01

The investigation of chemical evolution of bodies in our solar system has, in the past, included observations, theoretical modeling, and laboratory simulations. Of these programs, the last one has been the most criticized due to the inherent difficulties in accurately recreating alien environments in the laboratory. Processes such as wall reactions and changes in chemistry due to difficulties in achieving realistic conditions of temperature, pressure, composition, and energy flux may yield results which are not truly representative of the systems being modeled. However, many laboratory studies have been done which have yielded data useful in planetary science. Gross simulations of atmospheric chemistry have placed constraints on the nature of complex molecules expected in planetary atmospheres. More precise studies of specific chemical processes have provided information about the sources and properties of product gases and aerosols. Determinations of basic properties such as spectral features and reaction rate constants yield data useful in the interpretation of observations and in computational modeling. Alone, and in conjunction with modeling, laboratory experiments will continue to be used to further our understanding of the outer solar system, and some experiments that need to be done are listed.
Valence-bond study of the /H2, D2/ exchange reaction mechanism.

NASA Technical Reports Server (NTRS)

Freihaut, B.; Raff, L. M.

1973-01-01

The exchange reaction of H2 with D2 to form 2 HD is important in that it is fundamentally the simplest four-body exchange reaction and should therefore represent a model system on which various theories of reactions dynamics might be tested. A number of theoretical and experimental investigations carried out on this system are reviewed. It is concluded that a Y yields T yields Y mechanism for the (H2, D2) exchange is not a low energy pathway that would make theory compatible with the shock-tube experiments of Bauer and Ossa (1966) and of Burcat and Lifshits (1967).
Coherent e+e- production at very low transverse momentum at STAR

NASA Astrophysics Data System (ADS)

Yang, Chi

2018-02-01

We report the measurements of e+e- pair production at very low e+e- pair transverse momentum (pT < 0.15 GeV/c) in Au+Au collisions at = 200 GeV and U+U collisions at = 193 GeV using the STAR detector at the Relativistic Heavy Ion Collider. In 60-80% centrality, significant excesses are observed with respect to hadronic cocktails in both Au+Au and U+U collisions. These excess yields can not be explained by a theoretical model calculation incorporating in-medium broadened ρ spectral function. Additionally, the distribution for excess yield is shown and found to be exponential at very low pT.
Immobilized anaerobic fermentation for bio-fuel production by Clostridium co-culture.

PubMed

Xu, Lei; Tschirner, Ulrike

2014-08-01

Clostridium thermocellum/Clostridium thermolacticum co-culture fermentation has been shown to be a promising way of producing ethanol from several carbohydrates. In this research, immobilization techniques using sodium alginate and alkali pretreatment were successfully applied on this co-culture to improve the bio-ethanol fermentation performance during consolidated bio-processing (CBP). The ethanol yield obtained increased by over 60 % (as a percentage of the theoretical maximum) as compared to free cell fermentation. For cellobiose under optimized conditions, the ethanol yields were approaching about 85 % of the theoretical efficiency. To examine the feasibility of this immobilization co-culture on lignocellulosic biomass conversion, untreated and pretreated aspen biomasses were also used for fermentation experiments. The immobilized co-culture shows clear benefits in bio-ethanol production in the CBP process using pretreated aspen. With a 3-h, 9 % NaOH pretreatment, the aspen powder fermentation yields approached 78 % of the maximum theoretical efficiency, which is almost twice the yield of the untreated aspen fermentation.
RADIATION CHEMISTRY OF HIGH ENERGY CARBON, NEON AND ARGON IONS: INTEGRAL YIELDS FROM FERROUS SULFATE SOLUTIONS

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

Christman, E.A.; Appleby, A.; Jayko, M.

1980-07-01

Chemical yields of Fe{sup 3+} have been measured from FeSO{sub 4} solutions irradiated in the presence and absence of oxygen with carbon, neon, and argon ions from the Berkeley Bevalac facility. G(Fe{sup 3+}) decreases with increasing beam penetration and with increasing atomic number of the incident ion. The results are compared with current theoretical expectations of the behavior of these particles in an aqueous absorber. The chemical yields are consistently higher than theoretically predicted, by amounts varying from <6.2% (carbon ions) to <13.2% (argon ions). The additional yields are possibly attributable to fragmentation of the primary particle beams.
Average M shell fluorescence yields for elements with 70≤Z≤92

NASA Astrophysics Data System (ADS)

Kahoul, A.; Deghfel, B.; Aylikci, V.; Aylikci, N. K.; Nekkab, M.

2015-03-01

The theoretical, experimental and analytical methods for the calculation of average M-shell fluorescence yield (ω¯M ) of different elements are very important because of the large number of their applications in various areas of physical chemistry and medical research. In this paper, the bulk of the average M-shell fluorescence yield measurements reported in the literature, covering the period 1955 to 2005 are interpolated by using an analytical function to deduce the empirical average M-shell fluorescence yield in the atomic range of 70≤Z≤92. The results were compared with the theoretical and fitted values reported by other authors. Reasonable agreement was typically obtained between our result and other works.
Quantum partner-dance in the 12C + 12C system yields sub-Coulomb fusion resonances

NASA Astrophysics Data System (ADS)

Diaz-Torres, Alexis; Wiescher, Michael

2014-03-01

A preliminary study of the 12C + 12C sub-Coulomb fusion reaction using the time-dependent wave-packet method is presented. The theoretical sub-Coulomb fusion resonances seem to correspond well with observations. The present method might be a more suitable tool for expanding the cross-section predictions towards lower energies than the commonly used potential-model approximation.
Investigations of the structure and electromagnetic interactions of few body systems

NASA Astrophysics Data System (ADS)

Harper, E. P.; Lehman, D. R.; Prats, F.

The structure and electromagnetic interactions of few-body systems were investigated. The structural properties of the very light nuclei are examined by developing theoretical models that begin from the basic interactions between the constituents and that are solved exactly (numerically), i.e., full three- or four-body dynamics. Such models are then used in an attempt to understand the details of the strong and electromagnetic interactions of the few-nucleon nuclei after the basic underlying reaction mechanisms are understood with simpler models. Topics included: (1) set up the equations for the low-energy photodisintegration of (3)He and (3)H including final-state interactions and the E1 plus E2 operators; (2) develop a unified picture of the p + d (YIELDS) (3)He + (GAMMA), p + d (YIELDS) (3)He + (PI) (0), p + d (YIELDS) (3)H + (PI) (+) reactions at intermediate energies; (3) calculate the elastic and inelastic (1(+) (YIELDS) 0 (+)) form factors for (6)Li with three-body ((ALPHA)NN) wave functions; (4) calculate static properties (RMS radius, magnetic moment, and quadrupole moment) of (6)Li with three-body wave functions; and (5) develop the theory for the coincidence reactions (6)Li(p,2p)n(ALPHA), (6)Li(e,e'p)n(ALPHA), and (6)Li(e,e'd)(ALPHA).
Theoretical X-ray production cross sections at incident photon energies across L{sub i} (i=1-3) absorption edges of Br

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

Puri, Sanjiv

The X-ray production (XRP) cross sections, σ{sub Lk} (k = l, η, α, β{sub 6}, β{sub 1}, β{sub 3}, β{sub 4}, β{sub 9,10}, γ{sub 1,5}, γ{sub 2,3}) have been evaluated at incident photon energies across the L{sub i}(i=1-3) absorption edge energies of {sub 35}Br using theoretical data sets of different physical parameters, namely, the L{sub i}(i=1-3) sub-shell the X-ray emission rates based on the Dirac-Fock (DF) model, the fluorescence and Coster Kronig yields based on the Dirac-Hartree-Slater (DHS) model, and two sets of the photoionisation cross sections based on the relativistic Hartree-Fock-Slater (RHFS) model and the Dirac-Fock (DF) model, inmore » order to highlight the importance of electron exchange effects at photon energies in vicinity of absorption edge energies.« less
Current driven instabilities of an electromagnetically accelerated plasma

NASA Technical Reports Server (NTRS)

Chouetri, E. Y.; Kelly, A. J.; Jahn, R. G.

1988-01-01

A plasma instability that strongly influences the efficiency and lifetime of electromagnetic plasma accelerators was quantitatively measured. Experimental measurements of dispersion relations (wave phase velocities), spatial growth rates, and stability boundaries are reported. The measured critical wave parameters are in excellent agreement with theoretical instability boundary predictions. The instability is current driven and affects a wide spectrum of longitudinal (electrostatic) oscillations. Current driven instabilities, which are intrinsic to the high-current-carrying magnetized plasma of the magnetoplasmadynmic (MPD) accelerator, were investigated with a kinetic theoretical model based on first principles. Analytical limits of the appropriate dispersion relation yield unstable ion acoustic waves for T(i)/T(e) much less than 1 and electron acoustic waves for T(i)/T(e) much greater than 1. The resulting set of nonlinear equations for the case of T(i)/T(e) = 1, of most interest to the MPD thruster Plasma Wave Experiment, was numerically solved to yield a multiparameter set of stability boundaries. Under certain conditions, marginally stable waves traveling almost perpendicular to the magnetic field would travel at a velocity equal to that of the electron current. Such waves were termed current waves. Unstable current waves near the upper stability boundary were observed experimentally and are in accordance with theoretical predictions. This provides unambiguous proof of the existence of such instabilites in electromagnetic plasma accelerators.
A theoretical study on pure bending of hexagonal close-packed metal sheet

NASA Astrophysics Data System (ADS)

Mehrabi, Hamed; Yang, Chunhui

2018-05-01

Hexagonal close-packed (HCP) metals have quite different mechanical behaviours in comparison to conventional cubic metals such as steels and aluminum alloys [1, 2]. They exhibit a significant tension-compression asymmetry in initial yielding and subsequent plastic hardening. The reason for this unique behaviour can be attributed to their limited symmetric crystal structure, which leads to twining deformation [3-5]. This unique behaviour strongly influences sheet metal forming of such metals, especially for roll forming, in which the bending is dominant. Hence, it is crucial to represent constitutive relations of HCP metals for accurate estimation of bending moment-curvature behaviours. In this paper, an analytical model for asymmetric elastoplastic pure bending with an application of Cazacu-Barlat asymmetric yield function [6] is presented. This yield function considers the asymmetrical tension-compression behaviour of HCP metals by using second and third invariants of the stress deviator tensor and a specified constant, which can be expressed in terms of uniaxial yield stresses in tension and compression. As a case study, the analytical model is applied to predict the moment-curvature behaviours of AZ31B magnesium alloy sheets under uniaxial loading condition. Furthermore, the analytical model is implemented as a user-defined material through the UMAT interface in Abaqus [7, 8] for conducting pure bending simulations. The results show that the analytical model can reasonably capture the asymmetric tension-compression behaviour of the magnesium alloy. The predicted moment-curvature behaviour has good agreement with the experimental results. Furthermore, numerical results show a better accuracy by the application of the Cazacu-Barlat yield function than those using the von-Mises yield function, which are more conservative than analytical results.
Thinking Clearly About Schizotypy: Hewing to the Schizophrenia Liability Core, Considering Interesting Tangents, and Avoiding Conceptual Quicksand

PubMed Central

Lenzenweger, Mark F.

2015-01-01

The concept of schizotypy represents a rich and complex psychopathology construct. Furthermore, the construct implies a theoretical model that has considerable utility as an organizing framework for the study of schizophrenia, schizophrenia-related psychopathology (eg, delusional disorder, psychosis-NOS (not otherwise specified), schizotypal, and paranoid personality disorder), and putative schizophrenia endophenotypes as suggested by Rado, Meehl, Gottesman, Lenzenweger, and others. The understanding (and misunderstanding) of the schizophrenia-related schizotypy model, particularly as regards clinical illness, as well as an alternative approach to the construct require vigilance in order to ensure the methodological approach continues to yield the fruit that it can in illuminating the pathogenesis of schizophrenia-related psychopathology. The articles in the Special Section in this issue of Schizophrenia Bulletin highlight methodological and theoretical issues that should be examined carefully. PMID:25810061
Variable screening via quantile partial correlation

PubMed Central

Ma, Shujie; Tsai, Chih-Ling

2016-01-01

In quantile linear regression with ultra-high dimensional data, we propose an algorithm for screening all candidate variables and subsequently selecting relevant predictors. Specifically, we first employ quantile partial correlation for screening, and then we apply the extended Bayesian information criterion (EBIC) for best subset selection. Our proposed method can successfully select predictors when the variables are highly correlated, and it can also identify variables that make a contribution to the conditional quantiles but are marginally uncorrelated or weakly correlated with the response. Theoretical results show that the proposed algorithm can yield the sure screening set. By controlling the false selection rate, model selection consistency can be achieved theoretically. In practice, we proposed using EBIC for best subset selection so that the resulting model is screening consistent. Simulation studies demonstrate that the proposed algorithm performs well, and an empirical example is presented. PMID:28943683

Forming limit curves of DP600 determined in high-speed Nakajima tests and predicted by two different strain-rate-sensitive models

NASA Astrophysics Data System (ADS)

Weiß-Borkowski, Nathalie; Lian, Junhe; Camberg, Alan; Tröster, Thomas; Münstermann, Sebastian; Bleck, Wolfgang; Gese, Helmut; Richter, Helmut

2018-05-01

Determination of forming limit curves (FLC) to describe the multi-axial forming behaviour is possible via either experimental measurements or theoretical calculations. In case of theoretical determination, different models are available and some of them consider the influence of strain rate in the quasi-static and dynamic strain rate regime. Consideration of the strain rate effect is necessary as many material characteristics such as yield strength and failure strain are affected by loading speed. In addition, the start of instability and necking depends not only on the strain hardening coefficient but also on the strain rate sensitivity parameter. Therefore, the strain rate dependency of materials for both plasticity and the failure behaviour is taken into account in crash simulations for strain rates up to 1000 s-1 and FLC can be used for the description of the material's instability behaviour at multi-axial loading. In this context, due to the strain rate dependency of the material behaviour, an extrapolation of the quasi-static FLC to dynamic loading condition is not reliable. Therefore, experimental high-speed Nakajima tests or theoretical models shall be used to determine the FLC at high strain rates. In this study, two theoretical models for determination of FLC at high strain rates and results of experimental high-speed Nakajima tests for a DP600 are presented. One of the theoretical models is the numerical algorithm CRACH as part of the modular material and failure model MF GenYld+CrachFEM 4.2, which is based on an initial imperfection. Furthermore, the extended modified maximum force criterion considering the strain rate effect is also used to predict the FLC. These two models are calibrated by the quasi-static and dynamic uniaxial tensile tests and bulge tests. The predictions for the quasi-static and dynamic FLC by both models are presented and compared with the experimental results.
Sequential double photodetachment of He- in elliptically polarized laser fields

NASA Astrophysics Data System (ADS)

Génévriez, Matthieu; Dunseath, Kevin M.; Terao-Dunseath, Mariko; Urbain, Xavier

2018-02-01

Four-photon double detachment of the helium negative ion is investigated experimentally and theoretically for photon energies where the transient helium atom is in the 1 s 2 s 3S or 1 s 2 p P3o states, which subsequently ionize by absorption of three photons. Ionization is enhanced by intermediate resonances, giving rise to series of peaks in the He+ spectrum, which we study in detail. The He+ yield is measured in the wavelength ranges from 530 to 560 nm and from 685 to 730 nm and for various polarizations of the laser light. Double detachment is treated theoretically as a sequential process, within the framework of R -matrix theory for the first step and effective Hamiltonian theory for the second step. Experimental conditions are accurately modeled, and the measured and simulated yields are in good qualitative and, in some cases, quantitative agreement. Resonances in the double detachment spectra can be attributed to well-defined Rydberg states of the transient atom. The double detachment yield exhibits a strong dependence on the laser polarization which can be related to the magnetic quantum number of the intermediate atomic state. We also investigate the possibility of nonsequential double detachment with a two-color experiment but observe no evidence for it.
The Drainage of Thin, Vertical, Model Polyurethane Liquid Films

NASA Astrophysics Data System (ADS)

Snow, Steven; Pernisz, Udo; Braun, Richard; Naire, Shailesh

1999-11-01

We have successfully measured the drainage rate of thin, vertically-aligned, liquid films prepared from model polyurethane foam formulations. The pattern of interference fringes in these films was consistent with a wedge-shaped film profile. The time evolution of this wedge shape (the ``collapsing wedge") obeyed a power law relationship between fringe density s and time t of s = k t^m. Experimentally, m ranged from -0.47 to -0.92. The lower bound for m represented a case where the surface viscosity of the film was very high (a ``rigid" surface). Theoretical modeling of this case yielded m = -0.5, in excellent agreement with experiment. Instantaneous film drainage rate (dV/dt) could be extracted from the ``Collapsing Wedge" model. As expected, dV/dt scaled inversely with bulk viscosity. As surfactant concentration was varied at constant bulk viscosity, dV/dt passed through a maximum value, consistent with a model where the rigidity of the surface was a function of both the intensity of surface tension gradients and the surface viscosity of the film. The influence of surface viscosity on dV/dt was also modeled theoretically.
Analysis of the external and internal quantum efficiency of multi-emitter, white organic light emitting diodes

NASA Astrophysics Data System (ADS)

Furno, Mauro; Rosenow, Thomas C.; Gather, Malte C.; Lüssem, Björn; Leo, Karl

2012-10-01

We report on a theoretical framework for the efficiency analysis of complex, multi-emitter organic light emitting diodes (OLEDs). The calculation approach makes use of electromagnetic modeling to quantify the overall OLED photon outcoupling efficiency and a phenomenological description for electrical and excitonic processes. From the comparison of optical modeling results and measurements of the total external quantum efficiency, we obtain reliable estimates of internal quantum yield. As application of the model, we analyze high-efficiency stacked white OLEDs and comment on the various efficiency loss channels present in the devices.
Problems in mechanistic theoretical models for cell transformation by ionizing radiation

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

Chatterjee, A.; Holley, W.R.

1991-10-01

A mechanistic model based on yields of double strand breaks has been developed to determine the dose response curves for cell transformation frequencies. At its present stage the model is applicable to immortal cell lines and to various qualities (X-rays, Neon and Iron) of ionizing radiation. Presently, we have considered four types of processes which can lead to activation phenomena: (1) point mutation events on a regulatory segment of selected oncogenes, (2) inactivation of suppressor genes, through point mutation, (3) deletion of a suppressor gene by a single track, and (4) deletion of a suppressor gene by two tracks.
Average M shell fluorescence yields for elements with 70≤Z≤92

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

Kahoul, A., E-mail: ka-abdelhalim@yahoo.fr; LPMRN laboratory, Department of Materials Science, Faculty of Sciences and Technology, Mohamed El Bachir El Ibrahimi University, Bordj-Bou-Arreridj 34030; Deghfel, B.

2015-03-30

The theoretical, experimental and analytical methods for the calculation of average M-shell fluorescence yield (ω{sup ¯}{sub M}) of different elements are very important because of the large number of their applications in various areas of physical chemistry and medical research. In this paper, the bulk of the average M-shell fluorescence yield measurements reported in the literature, covering the period 1955 to 2005 are interpolated by using an analytical function to deduce the empirical average M-shell fluorescence yield in the atomic range of 70≤Z≤92. The results were compared with the theoretical and fitted values reported by other authors. Reasonable agreement wasmore » typically obtained between our result and other works.« less
Recent Developments in the Formability of Aluminum Alloys

NASA Astrophysics Data System (ADS)

Banabic, Dorel; Cazacu, Oana; Paraianu, Liana; Jurco, Paul

2005-08-01

The paper presents a few recent contributions brought by the authors in the field of the formability of aluminum alloys. A new concept for calculating Forming Limit Diagrams (FLD) using the finite element method is presented. The article presents a new strategy for calculating both branches of an FLD, using a Hutchinson - Neale model implemented in a finite element code. The simulations have been performed with Abaqus/Standard. The constitutive model has been implemented using a UMAT subroutine. The plastic anisotropy of the sheet metal is described by the Cazacu-Barlat and the BBC2003 yield criteria. The theoretical predictions have been compared with the results given by the classical Hutchinson - Neale method and also with experimental data for different aluminum alloys. The comparison proves the capability of the finite element method to predict the strain localization. A computer program used for interactive calculation and graphical representation of different Yield Loci and Forming Limit Diagrams has also been developed. The program is based on a Hutchinson-Neale model. Different yield criteria (Hill 1948, Barlat-Lian and BBC 2003) are implemented in this model. The program consists in three modules: a graphical interface for input, a module for the identification and visualization of the yield surfaces, and a module for calculating and visualizing the forming limit curves. A useful facility offered by the program is the possibility to perform the sensitivity analysis both for the yield surface and the forming limit curves. The numerical results can be compared with experimental data, using the import/export facilities included in the program.
Recent Developments in the Formability of Aluminum Alloys

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

Banabic, Dorel; Paraianu, Liana; Jurco, Paul

The paper presents a few recent contributions brought by the authors in the field of the formability of aluminum alloys. A new concept for calculating Forming Limit Diagrams (FLD) using the finite element method is presented. The article presents a new strategy for calculating both branches of an FLD, using a Hutchinson - Neale model implemented in a finite element code. The simulations have been performed with Abaqus/Standard. The constitutive model has been implemented using a UMAT subroutine. The plastic anisotropy of the sheet metal is described by the Cazacu-Barlat and the BBC2003 yield criteria. The theoretical predictions have beenmore » compared with the results given by the classical Hutchinson - Neale method and also with experimental data for different aluminum alloys. The comparison proves the capability of the finite element method to predict the strain localization. A computer program used for interactive calculation and graphical representation of different Yield Loci and Forming Limit Diagrams has also been developed. The program is based on a Hutchinson-Neale model. Different yield criteria (Hill 1948, Barlat-Lian and BBC 2003) are implemented in this model. The program consists in three modules: a graphical interface for input, a module for the identification and visualization of the yield surfaces, and a module for calculating and visualizing the forming limit curves. A useful facility offered by the program is the possibility to perform the sensitivity analysis both for the yield surface and the forming limit curves. The numerical results can be compared with experimental data, using the import/export facilities included in the program.« less
Exploring Sulfur & Argon Abundances in Planetary Nebulae as Metallicity- Indicator Surrogates for Iron in the Interstellar Medium

NASA Astrophysics Data System (ADS)

Kwitter, Karen B.; Henry, Richard C.

1999-02-01

Our primary motivation for studying S and Ar distributions in planetary nebulae (PNe) across the Galactic disk is to explore the possibility of a surrogacy between (S+Ar)/O and Fe/O for use as a metallicity indicator in the interstellar medium. The chemical history of the Galaxy is usually studied through O and Fe distributions among objects of different ages. Historically, though, Fe and O have not been measured in the same systems: Fe is easily seen in stars but hard to detect in nebulae; the reverse is true for O. We know that S and Ar abundances are not affected by PN progenitor evolution, and we therefore seek to exploit both their unaltered abundances and ease of detectability in PNe to explore their surrogacy for Fe. If proven valid, this surrogacy carries broad and important ramifications for bridging the gap between stellar and interstellar abundances in the Galaxy, and potentially beyond. Observed S/O and Ar/O gradients will also provide constraints on theoretical stellar yields of S and Ar, since they can be compared with chemical evolution models (which incorporate theoretically-predicted stellar yields, an initial mass function, and rates of star formation and infall) to help place constraints on model parameters.
Performance of FFT methods in local gravity field modelling

NASA Technical Reports Server (NTRS)

Forsberg, Rene; Solheim, Dag

1989-01-01

Fast Fourier transform (FFT) methods provide a fast and efficient means of processing large amounts of gravity or geoid data in local gravity field modelling. The FFT methods, however, has a number of theoretical and practical limitations, especially the use of flat-earth approximation, and the requirements for gridded data. In spite of this the method often yields excellent results in practice when compared to other more rigorous (and computationally expensive) methods, such as least-squares collocation. The good performance of the FFT methods illustrate that the theoretical approximations are offset by the capability of taking into account more data in larger areas, especially important for geoid predictions. For best results good data gridding algorithms are essential. In practice truncated collocation approaches may be used. For large areas at high latitudes the gridding must be done using suitable map projections such as UTM, to avoid trivial errors caused by the meridian convergence. The FFT methods are compared to ground truth data in New Mexico (xi, eta from delta g), Scandinavia (N from delta g, the geoid fits to 15 cm over 2000 km), and areas of the Atlantic (delta g from satellite altimetry using Wiener filtering). In all cases the FFT methods yields results comparable or superior to other methods.
Theoretical study of the photo-isomerisation reactions of 1,2-dihydro-1,2-phosphaborine and 1,2-dihydro-1,2-alumazaine

NASA Astrophysics Data System (ADS)

Su, Ming-Der

2015-07-01

The mechanisms of the photochemical isomerisation reactions are investigated theoretically using the model systems, 1,2-dihydro-1,2-phosphaborine (5) and 1,2-dihydro-1,2-alumazaine (6), using the CAS(6,6)/6-311G(d,p) and MP2-CAS-(6,6)/6-311++G(3df,3pd)//CAS(6,6)/6-311G(d,p) methods. For each model reactant, three reaction pathways, which lead to three kinds of photo-isomers, are examined. The structures of the conical intersections, which play a key role in such photo-rearrangements, are determined. The thermal (or dark) reactions of the reactant species are also examined, using the same level of theory, to provide a qualitative explanation of the reaction pathways. These model investigations demonstrate that the preferred reaction route for these two aromatic heterocyclics is as follows: reactant → Franck-Condon region → conical intersection → photoproduct. The theoretical evidences anticipate that after irradiation of 5, the photoproduct yield of the Dewar BP-isomer, 8, should be larger than that of the Dewar BP-isomer, 7, whereas no Dewar BP-isomer 9 can be observed. Moreover, the present theoretical data predict after irradiation of 6, all three Dewar AlN-isomers (10, 11, and 12) and the starting molecule, 6, are produced.
Refraction of coastal ocean waves

NASA Technical Reports Server (NTRS)

Shuchman, R. A.; Kasischke, E. S.

1981-01-01

Refraction of gravity waves in the coastal area off Cape Hatteras, NC as documented by synthetic aperture radar (SAR) imagery from Seasat orbit 974 (collected on September 3, 1978) is discussed. An analysis of optical Fourier transforms (OFTs) from more than 70 geographical positions yields estimates of wavelength and wave direction for each position. In addition, independent estimates of the same two quantities are calculated using two simple theoretical wave-refraction models. The OFT results are then compared with the theoretical results. A statistical analysis shows a significant degree of linear correlation between the data sets. This is considered to indicate that the Seasat SAR produces imagery whose clarity is sufficient to show the refraction of gravity waves in shallow water.
A combinatorial model for dentate gyrus sparse coding

DOE PAGES

Severa, William; Parekh, Ojas; James, Conrad D.; ...

2016-12-29

The dentate gyrus forms a critical link between the entorhinal cortex and CA3 by providing a sparse version of the signal. Concurrent with this increase in sparsity, a widely accepted theory suggests the dentate gyrus performs pattern separation—similar inputs yield decorrelated outputs. Although an active region of study and theory, few logically rigorous arguments detail the dentate gyrus’s (DG) coding. We suggest a theoretically tractable, combinatorial model for this action. The model provides formal methods for a highly redundant, arbitrarily sparse, and decorrelated output signal.To explore the value of this model framework, we assess how suitable it is for twomore » notable aspects of DG coding: how it can handle the highly structured grid cell representation in the input entorhinal cortex region and the presence of adult neurogenesis, which has been proposed to produce a heterogeneous code in the DG. We find tailoring the model to grid cell input yields expansion parameters consistent with the literature. In addition, the heterogeneous coding reflects activity gradation observed experimentally. Lastly, we connect this approach with more conventional binary threshold neural circuit models via a formal embedding.« less
Family and peer influences on adjustment among Chinese, Filipino, and White youth.

PubMed

Willgerodt, Mayumi Anne

2008-01-01

Little is known about the influence of parent-adolescent relationships and peer behavior on emotional distress and risky behaviors among Asian American adolescents; in particular, cross-cultural and longitudinal examinations are missing from the extant research. To test and compare a theoretical model examining the influence of family and peer factors on adolescent distress and risky behavior over time, using a nationally representative sample of Chinese, Filipino, and White adolescents. Data were utilized from Waves I (1994) and II (1995) of the National Longitudinal Study on Adolescent Health; the sample is composed of 194 Chinese, 345 Filipino, and 395 White adolescents and weighted to correct for design effects, yielding a nationally representative sample. Structural equation modeling was used to test the theoretical model for each ethnic group separately followed by multiple-group analyses. The measurement model was examined for each ethnic group, using both unweighted and weighted samples, and was deemed equivalent across groups. Tests of the theoretical model by ethnicity revealed that for each group, family bonds have significant negative effects on emotional distress and risky behaviors. For Filipino and White youth, peer risky behaviors influenced risky behaviors. Multiple-group analyses of the theoretical model indicated that the three ethnic groups did not differ significantly from one another. Findings suggest that family bonds and peer behavior exert significant influences on psychological and behavioral outcomes in Asian American youth and that these influences appear to be similar with White adolescents. Future research should be directed toward incorporating variables known to contribute to the impact of distress and risky behaviors in model testing and validating findings from this study.
Theoretical Development of an Orthotropic Elasto-Plastic Generalized Composite Material Model

NASA Technical Reports Server (NTRS)

Goldberg, Robert; Carney, Kelly; DuBois, Paul; Hoffarth, Canio; Harrington, Joseph; Rajan, Subramaniam; Blankenhorn, Gunther

2014-01-01

The need for accurate material models to simulate the deformation, damage and failure of polymer matrix composites is becoming critical as these materials are gaining increased usage in the aerospace and automotive industries. While there are several composite material models currently available within LSDYNA (Livermore Software Technology Corporation), there are several features that have been identified that could improve the predictive capability of a composite model. To address these needs, a combined plasticity and damage model suitable for use with both solid and shell elements is being developed and is being implemented into LS-DYNA as MAT_213. A key feature of the improved material model is the use of tabulated stress-strain data in a variety of coordinate directions to fully define the stress-strain response of the material. To date, the model development efforts have focused on creating the plasticity portion of the model. The Tsai-Wu composite failure model has been generalized and extended to a strain-hardening based orthotropic yield function with a nonassociative flow rule. The coefficients of the yield function, and the stresses to be used in both the yield function and the flow rule, are computed based on the input stress-strain curves using the effective plastic strain as the tracking variable. The coefficients in the flow rule are computed based on the obtained stress-strain data. The developed material model is suitable for implementation within LS-DYNA for use in analyzing the nonlinear response of polymer composites.
Evaluation for relationship among source parameters of underground nuclear tests in Northern Korean Peninsula

NASA Astrophysics Data System (ADS)

Kim, G.; Che, I. Y.

2017-12-01

We evaluated relationship among source parameters of underground nuclear tests in northern Korean Peninsula using regional seismic data. Dense global and regional seismic networks are incorporated to measure locations and origin times precisely. Location analyses show that distance among the locations is tiny on a regional scale. The tiny location-differences validate a linear model assumption. We estimated source spectral ratios by excluding path effects based spectral ratios of the observed seismograms. We estimated empirical relationship among depth of burials and yields based on theoretical source models.
Bulk nuclear properties from dynamical description of heavy-ion collisions

NASA Astrophysics Data System (ADS)

Hong, Jun

Mapping out the equation of state (EOS) of nuclear matter is a long standing problem in nuclear physics. Both experimentalists and theoretical physicists spare no effort in improving understanding of the EOS. In this thesis, we examine observables sensitive to the EOS within the pBUU transport model based on the Boltzmann equation. By comparing theoretical predictions with experimental data, we arrive at new constraints for the EOS. Further we propose novel promising observables for analysis of future experimental data. One set of observables that we examine within the pBUU model are pion yields. First, we find that net pion yields in central heavy-ion collisions (HIC) are strongly sensitive to the momentum dependence of the isoscalar nuclear mean field. We reexamine the momentum dependence that is assumed in the Boltzmann equation model for the collisions and optimize that dependence to describe the FOPI measurements of pion yields from the Au+Au collisions at different beam energies. Alas such optimized dependence yields a somewhat weaker baryonic elliptic flow than seen in measurements. Subsequently, we use the same pBUU model to generate predictions for baryonic elliptic flow observable in HIC, while varying the incompressibility of nuclear matter. In parallel, we test the sensitivity of pion multiplicity to the density dependence of EOS, and in particular to incompressibility, and optimize that dependence to describe both the elliptic flow and pion yields. Upon arriving at acceptable regions of density dependence of pressure and energy, we compare our constraints on EOS with those recently arrived at by the joint experiment and theory effort FOPI-IQMD. We should mention that, for the more advanced observables from HIC, there remain discrepancies of up to 30%, depending on energy, between the theory and experiment, indicating the limitations of the transport theory. Next, we explore the impact of the density dependence of the symmetry energy on observables, motivated by experiments aiming at constraining the symmetry energy. In contradiction to IBUU and ImIQMD models in the literature, that claim sensitivity of net charged pion yields to the density dependence of the symmetry energy, albeit in direction opposite from each other, we find practically no such sensitivity in pBUU. However, we find a rather dramatic sensitivity of differential high-energy charged-pion yield ratio to that density dependence, which can be qualitatively understood, and we propose that differential ratio be used in future experiments to constrain the symmetry energy. Finally, we present Gaussian phase-space representation method for studying strongly correlated systems. This approach allows to follow time evolution of quantum many-body systems with large Hilbert spaces through stochastic sampling, provided the interactions are two-body in nature. We demonstrate the advantage of the Gaussian phase-space representation method in coping with the notorious numerical sign problem for fermion systems. Lastly, we discuss the difficulty in trying to stabilize the system during its time evolution, within the Gaussian phase-space method.
Analysis of experimental results of the inlet for the NASA hypersonic research engine aerothermodynamic integration model. [wind tunnel tests of ramjet engine hypersonic inlets

NASA Technical Reports Server (NTRS)

Andrews, E. H., Jr.; Mackley, E. A.

1976-01-01

An aerodynamic engine inlet analysis was performed on the experimental results obtained at nominal Mach numbers of 5, 6, and 7 from the NASA Hypersonic Research Engine (HRE) Aerothermodynamic Integration Model (AIM). Incorporation on the AIM of the mixed-compression inlet design represented the final phase of an inlet development program of the HRE Project. The purpose of this analysis was to compare the AIM inlet experimental results with theoretical results. Experimental performance was based on measured surface pressures used in a one-dimensional force-momentum theorem. Results of the analysis indicate that surface static-pressure measurements agree reasonably well with theoretical predictions except in the regions where the theory predicts large pressure discontinuities. Experimental and theoretical results both based on the one-dimensional force-momentum theorem yielded inlet performance parameters as functions of Mach number that exhibited reasonable agreement. Previous predictions of inlet unstart that resulted from pressure disturbances created by fuel injection and combustion appeared to be pessimistic.
Experimental and theoretical charge density studies at subatomic resolution.

PubMed

Fischer, A; Tiana, D; Scherer, W; Batke, K; Eickerling, G; Svendsen, H; Bindzus, N; Iversen, B B

2011-11-17

Analysis of accurate experimental and theoretical structure factors of diamond and silicon reveals that the contraction of the core shell due to covalent bond formation causes significant perturbations of the total charge density that cannot be ignored in precise charge density studies. We outline that the nature and origin of core contraction/expansion and core polarization phenomena can be analyzed by experimental studies employing an extended Hansen-Coppens multipolar model. Omission or insufficient treatment of these subatomic charge density phenomena might yield erroneous thermal displacement parameters and high residual densities in multipolar refinements. Our detailed studies therefore suggest that the refinement of contraction/expansion and population parameters of all atomic shells is essential to the precise reconstruction of electron density distributions by a multipolar model. Furthermore, our results imply that also the polarization of the inner shells needs to be adopted, especially in cases where second row or even heavier elements are involved in covalent bonding. These theoretical studies are supported by direct multipolar refinements of X-ray powder diffraction data of diamond obtained from a third-generation synchrotron-radiation source (SPring-8, BL02B2).
Testing a theory of aircraft noise annoyance: a structural equation analysis.

PubMed

Kroesen, Maarten; Molin, Eric J E; van Wee, Bert

2008-06-01

Previous research has stressed the relevance of nonacoustical factors in the perception of aircraft noise. However, it is largely empirically driven and lacks a sound theoretical basis. In this paper, a theoretical model which explains noise annoyance based on the psychological stress theory is empirically tested. The model is estimated by applying structural equation modeling based on data from residents living in the vicinity of Amsterdam Airport Schiphol in The Netherlands. The model provides a good model fit and indicates that concern about the negative health effects of noise and pollution, perceived disturbance, and perceived control and coping capacity are the most important variables that explain noise annoyance. Furthermore, the model provides evidence for the existence of two reciprocal relationships between (1) perceived disturbance and noise annoyance and (2) perceived control and coping capacity and noise annoyance. Lastly, the model yielded two unexpected results. Firstly, the variables noise sensitivity and fear related to the noise source were unable to explain additional variance in the endogenous variables of the model and were therefore excluded from the model. And secondly, the size of the total effect of noise exposure on noise annoyance was relatively small. The paper concludes with some recommended directions for further research.

Decay constants and radiative decays of heavy mesons in light-front quark model

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

Choi, Ho-Meoyng

2007-04-01

We investigate the magnetic dipole decays V{yields}P{gamma} of various heavy-flavored mesons such as (D,D*,D{sub s},D{sub s}*,{eta}{sub c},J/{psi}) and (B,B*,B{sub s},B{sub s}*,{eta}{sub b},{upsilon}) using the light-front quark model constrained by the variational principle for the QCD-motivated effective Hamiltonian. The momentum dependent form factors F{sub VP}(q{sup 2}) for V{yields}P{gamma}* decays are obtained in the q{sup +}=0 frame and then analytically continued to the timelike region by changing q{sub perpendicular} to iq{sub perpendicular} in the form factors. The coupling constant g{sub VP{gamma}} for real photon case is then obtained in the limit as q{sup 2}{yields}0, i.e. g{sub VP{gamma}}=F{sub VP}(q{sup 2}=0). The weak decaymore » constants of heavy pseudoscalar and vector mesons are also calculated. Our numerical results for the decay constants and radiative decay widths for the heavy-flavored mesons are overall in good agreement with the available experimental data as well as other theoretical model calculations.« less
Transverse momentum and centrality dependence of high-pT nonphotonic electron suppression in Au+Au collisions at sqrt[s NN]=200 GeV.

PubMed

Abelev, B I; Aggarwal, M M; Ahammed, Z; Anderson, B D; Arkhipkin, D; Averichev, G S; Bai, Y; Balewski, J; Barannikova, O; Barnby, L S; Baudot, J; Baumgart, S; Belaga, V V; Bellingeri-Laurikainen, A; Bellwied, R; Benedosso, F; Betts, R R; Bhardwaj, S; Bhasin, A; Bhati, A K; Bichsel, H; Bielcik, J; Bielcikova, J; Bland, L C; Blyth, S-L; Bombara, M; Bonner, B E; Botje, M; Bouchet, J; Brandin, A V; Bravar, A; Burton, T P; Bystersky, M; Cadman, R V; Cai, X Z; Caines, H; Calderón de la Barca Sánchez, M; Callner, J; Catu, O; Cebra, D; Chajecki, Z; Chaloupka, P; Chattopadhyay, S; Chen, H F; Chen, J H; Chen, J Y; Cheng, J; Cherney, M; Chikanian, A; Christie, W; Chung, S U; Coffin, J P; Cormier, T M; Cosentino, M R; Cramer, J G; Crawford, H J; Das, D; Dash, S; Daugherity, M; de Moura, M M; Dedovich, T G; Dephillips, M; Derevschikov, A A; Didenko, L; Dietel, T; Djawotho, P; Dogra, S M; Dong, X; Drachenberg, J L; Draper, J E; Du, F; Dunin, V B; Dunlop, J C; Dutta Mazumdar, M R; Eckardt, V; Edwards, W R; Efimov, L G; Emelianov, V; Engelage, J; Eppley, G; Erazmus, B; Estienne, M; Fachini, P; Fatemi, R; Fedorisin, J; Feng, A; Filip, P; Finch, E; Fine, V; Fisyak, Y; Fu, J; Gagliardi, C A; Gaillard, L; Ganti, M S; Garcia-Solis, E; Ghazikhanian, V; Ghosh, P; Gorbunov, Y G; Gos, H; Grebenyuk, O; Grosnick, D; Guertin, S M; Guimaraes, K S F F; Gupta, N; Haag, B; Hallman, T J; Hamed, A; Harris, J W; He, W; Heinz, M; Henry, T W; Heppelmann, S; Hippolyte, B; Hirsch, A; Hjort, E; Hoffman, A M; Hoffmann, G W; Hofman, D; Hollis, R; Horner, M J; Huang, H Z; Hughes, E W; Humanic, T J; Igo, G; Iordanova, A; Jacobs, P; Jacobs, W W; Jakl, P; Jia, F; Jones, P G; Judd, E G; Kabana, S; Kang, K; Kapitan, J; Kaplan, M; Keane, D; Kechechyan, A; Kettler, D; Khodyrev, V Yu; Kim, B C; Kiryluk, J; Kisiel, A; Kislov, E M; Klein, S R; Knospe, A G; Kocoloski, A; Koetke, D D; Kollegger, T; Kopytine, M; Kotchenda, L; Kouchpil, V; Kowalik, K L; Kravtsov, P; Kravtsov, V I; Krueger, K; Kuhn, C; Kulikov, A I; Kumar, A; Kurnadi, P; Kuznetsov, A A; Lamont, M A C; Landgraf, J M; Lange, S; Lapointe, S; Laue, F; Lauret, J; Lebedev, A; Lednicky, R; Lee, C-H; Lehocka, S; LeVine, M J; Li, C; Li, Q; Li, Y; Lin, G; Lin, X; Lindenbaum, S J; Lisa, M A; Liu, F; Liu, H; Liu, J; Liu, L; Ljubicic, T; Llope, W J; Longacre, R S; Love, W A; Lu, Y; Ludlam, T; Lynn, D; Ma, G L; Ma, J G; Ma, Y G; Magestro, D; Mahapatra, D P; Majka, R; Mangotra, L K; Manweiler, R; Margetis, S; Markert, C; Martin, L; Matis, H S; Matulenko, Yu A; McClain, C J; McShane, T S; Melnick, Yu; Meschanin, A; Millane, J; Miller, M L; Minaev, N G; Mioduszewski, S; Mironov, C; Mischke, A; Mitchell, J; Mohanty, B; Morozov, D A; Munhoz, M G; Nandi, B K; Nattrass, C; Nayak, T K; Nelson, J M; Nepali, N S; Netrakanti, P K; Nogach, L V; Nurushev, S B; Odyniec, G; Ogawa, A; Okorokov, V; Oldenburg, M; Olson, D; Pachr, M; Pal, S K; Panebratsev, Y; Pavlinov, A I; Pawlak, T; Peitzmann, T; Perevoztchikov, V; Perkins, C; Peryt, W; Phatak, S C; Planinic, M; Pluta, J; Poljak, N; Porile, N; Poskanzer, A M; Potekhin, M; Potrebenikova, E; Potukuchi, B V K S; Prindle, D; Pruneau, C; Putschke, J; Qattan, I A; Raniwala, R; Raniwala, S; Ray, R L; Relyea, D; Ridiger, A; Ritter, H G; Roberts, J B; Rogachevskiy, O V; Romero, J L; Rose, A; Roy, C; Ruan, L; Russcher, M J; Sahoo, R; Sakrejda, I; Sakuma, T; Salur, S; Sandweiss, J; Sarsour, M; Sazhin, P S; Schambach, J; Scharenberg, R P; Schmitz, N; Seger, J; Selyuzhenkov, I; Seyboth, P; Shabetai, A; Shahaliev, E; Shao, M; Sharma, M; Shen, W Q; Shimanskiy, S S; Sichtermann, E P; Simon, F; Singaraju, R N; Smirnov, N; Snellings, R; Sorensen, P; Sowinski, J; Speltz, J; Spinka, H M; Srivastava, B; Stadnik, A; Stanislaus, T D S; Staszak, D; Stock, R; Strikhanov, M; Stringfellow, B; Suaide, A A P; Suarez, M C; Subba, N L; Sumbera, M; Sun, X M; Sun, Z; Surrow, B; Symons, T J M; Szanto de Toledo, A; Takahashi, J; Tang, A H; Tarnowsky, T; Thomas, J H; Timmins, A R; Timoshenko, S; Tokarev, M; Trainor, T A; Trentalange, S; Tribble, R E; Tsai, O D; Ulery, J; Ullrich, T; Underwood, D G; Van Buren, G; van der Kolk, N; van Leeuwen, M; Vander Molen, A M; Varma, R; Vasilevski, I M; Vasiliev, A N; Vernet, R; Vigdor, S E; Viyogi, Y P; Vokal, S; Voloshin, S A; Waggoner, W T; Wang, F; Wang, G; Wang, J S; Wang, X L; Wang, Y; Watson, J W; Webb, J C; Westfall, G D; Wetzler, A; Whitten, C; Wieman, H; Wissink, S W; Witt, R; Wu, J; Wu, Y; Xu, N; Xu, Q H; Xu, Z; Yepes, P; Yoo, I-K; Yue, Q; Yurevich, V I; Zhan, W; Zhang, H; Zhang, W M; Zhang, Y; Zhang, Z P; Zhao, Y; Zhong, C; Zhou, J; Zoulkarneev, R; Zoulkarneeva, Y; Zubarev, A N; Zuo, J X

2007-05-11

The STAR collaboration at the BNL Relativistic Heavy-Ion Collider (RHIC) reports measurements of the inclusive yield of nonphotonic electrons, which arise dominantly from semileptonic decays of heavy flavor mesons, over a broad range of transverse momenta (1.2
Evidence of N*(1535) resonance contribution in the pn{yields}d{phi} reaction

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

Cao Xu; Theoretical Physics Center for Sciences Facilities, Chinese Academy of Sciences, Beijing 100049; Graduate University of Chinese Academy of Sciences, Beijing 100049

2009-08-15

The N*(1535) resonance contributions to the pn{yields}d{phi} reaction are evaluated in an effective Lagrangian model. The {pi}-, {eta}-, and {rho}-meson exchange are considered. It is shown that the contributions from {pi}- and {rho}-meson exchange are dominant, while the contribution from {eta}-meson exchange is negligibly small. Our theoretical results reproduce the experimental data of both total cross section and angular distribution well. This is more evidence that the N*(1535) resonance has a large ss component leading to a large coupling to N{phi}, which may be the real origin of the Okubo-Zweig-Iizuka rule violation in the {pi}N and pN reactions.
A theoretical reassessment of microbial maintenance and implications for microbial ecology modeling.

PubMed

Wang, Gangsheng; Post, Wilfred M

2012-09-01

We attempted to reconcile three microbial maintenance models (Herbert, Pirt, and Compromise) through a theoretical reassessment. We provided a rigorous proof that the true growth yield coefficient (Y(G)) is the ratio of the specific maintenance rate (a in Herbert) to the maintenance coefficient (m in Pirt). Other findings from this study include: (1) the Compromise model is identical to the Herbert for computing microbial growth and substrate consumption, but it expresses the dependence of maintenance on both microbial biomass and substrate; (2) the maximum specific growth rate in the Herbert (μ(max,H)) is higher than those in the other two models (μ(max,P) and μ(max,C)), and the difference is the physiological maintenance factor (m(q) = a); and (3) the overall maintenance coefficient (m(T)) is more sensitive to m(q) than to the specific growth rate (μ(G)) and Y(G). Our critical reassessment of microbial maintenance provides a new approach for quantifying some important components in soil microbial ecology models. © This article is a US government work and is in the public domain in the USA.
Measurements and parameterization of neutron energy spectra from targets bombarded with 120 GeV protons

NASA Astrophysics Data System (ADS)

Kajimoto, T.; Shigyo, N.; Sanami, T.; Iwamoto, Y.; Hagiwara, M.; Lee, H. S.; Soha, A.; Ramberg, E.; Coleman, R.; Jensen, D.; Leveling, A.; Mokhov, N. V.; Boehnlein, D.; Vaziri, K.; Sakamoto, Y.; Ishibashi, K.; Nakashima, H.

2014-10-01

The energy spectra of neutrons were measured by a time-of-flight method for 120 GeV protons on thick graphite, aluminum, copper, and tungsten targets with an NE213 scintillator at the Fermilab Test Beam Facility. Neutron energy spectra were obtained between 25 and 3000 MeV at emission angles of 30°, 45°, 120°, and 150°. The spectra were parameterized as neutron emissions from three moving sources and then compared with theoretical spectra calculated by PHITS and FLUKA codes. The yields of the theoretical spectra were substantially underestimated compared with the yields of measured spectra. The integrated neutron yields from 25 to 3000 MeV calculated with PHITS code were 16-36% of the experimental yields and those calculated with FLUKA code were 26-57% of the experimental yields for all targets and emission angles.
Improvement of methane production from waste paper by pretreatment with rumen fluid.

PubMed

Baba, Yasunori; Tada, Chika; Fukuda, Yasuhiro; Nakai, Yutaka

2013-01-01

Cellulose hydrolysis is the rate-limiting step in anaerobic digestion. In the present study, waste paper was used as a model of cellulosic biomass and was pretreated with rumen fluid prior to methane production. To achieve a high methane yield, the reaction time of the pretreatment was examined. Waste paper was soaked with rumen fluid for 6 and 24h at 37 °C. Various volatile fatty acids, especially acetate, were produced by the pretreatment. Semicontinuous methane production was carried out over a 20-day period. The best daily methane yield was obtained by the 6-h pretreatment. The amount was 2.6 times higher than that of untreated paper, which resulted in 73.4% of the theoretical methane yield. During methane production, the cellulose, hemicellulose and lignin degradabilities were improved by the pretreatment. Pretreatment by rumen fluid is therefore a powerful method to accelerate the methane yield from a cellulosic biomass. Copyright © 2012 Elsevier Ltd. All rights reserved.
Site-specific vibrational spectral signatures of water molecules in the magic H3O+(H2O)20 and Cs+(H2O)20 clusters

PubMed Central

Fournier, Joseph A.; Wolke, Conrad T.; Johnson, Christopher J.; Johnson, Mark A.; Heine, Nadja; Gewinner, Sandy; Schöllkopf, Wieland; Esser, Tim K.; Fagiani, Matias R.; Knorke, Harald; Asmis, Knut R.

2014-01-01

Theoretical models of proton hydration with tens of water molecules indicate that the excess proton is embedded on the surface of clathrate-like cage structures with one or two water molecules in the interior. The evidence for these structures has been indirect, however, because the experimental spectra in the critical H-bonding region of the OH stretching vibrations have been too diffuse to provide band patterns that distinguish between candidate structures predicted theoretically. Here we exploit the slow cooling afforded by cryogenic ion trapping, along with isotopic substitution, to quench water clusters attached to the H3O+ and Cs+ ions into structures that yield well-resolved vibrational bands over the entire 215- to 3,800-cm−1 range. The magic H3O+(H2O)20 cluster yields particularly clear spectral signatures that can, with the aid of ab initio predictions, be traced to specific classes of network sites in the predicted pentagonal dodecahedron H-bonded cage with the hydronium ion residing on the surface. PMID:25489068
Site-specific vibrational spectral signatures of water molecules in the magic H 3O +(H 2O) 20 and Cs +(H 2O) 20 clusters

DOE PAGES

Fournier, Joseph A.; Wolke, Conrad T.; Johnson, Christopher J.; ...

2014-12-08

Here, theoretical models of proton hydration with tens of water molecules indicate that the excess proton is embedded on the surface of clathrate-like cage structures with one or two water molecules in the interior. The evidence for these structures has been indirect, however, because the experimental spectra in the critical H-bonding region of the OH stretching vibrations have been too diffuse to provide band patterns that distinguish between candidate structures predicted theoretically. Here we exploit the slow cooling afforded by cryogenic ion trapping, along with isotopic substitution, to quench water clusters attached to the H 3O + and Cs +more » ions into structures that yield well-resolved vibrational bands over the entire 215- to 3,800-cm -1 range. The magic H 3O +(H 2O) 20 cluster yields particularly clear spectral signatures that can, with the aid of ab initio predictions, be traced to specific classes of network sites in the predicted pentagonal dodecahedron H-bonded cage with the hydronium ion residing on the surface.« less
Manifestation of quark clusters in the emission of cumulative protons in the experiment on the fragmentation of carbon ions

NASA Astrophysics Data System (ADS)

Abramov, B. M.; Alekseev, P. N.; Borodin, Yu. A.; Bulychjov, S. A.; Dukhovskoy, I. A.; Krutenkova, A. P.; Kulikov, V. V.; Martemyanov, M. A.; Matsyuk, M. A.; Turdakina, E. N.; Khanov, A. I.

2013-06-01

The proton yields at an angle of 3.5° have been measured in the FRAGM experiment on the fragmentation of carbon ions with the energies T 0 = 0.6, 0.95, and 2.0 GeV/nucleon on a beryllium target at the heavy-ion accelerator complex TWAC (terawatt accumulator, Institute for Theoretical and Experimental Physics). The data are represented in the form of the dependences of the invariant cross section for proton yield on the cumulative variable x in the range of 0.9 < x < 2.4. This invariant cross section varies within six orders of magnitude. The proton spectra have been analyzed within the theoretical approach of the fragmentation of quark clusters with the fragmentation functions obtained in the quark-gluon string model. The probabilities of the existence of six- and nine-quark clusters in the carbon nuclei are estimated as 8-12 and 0.2-0.6%, respectively. The results are compared to the estimated of quark effects obtained by other methods.
On the complex relationship between energy expenditure and longevity: Reconciling the contradictory empirical results with a simple theoretical model.

PubMed

Hou, Chen; Amunugama, Kaushalya

2015-07-01

The relationship between energy expenditure and longevity has been a central theme in aging studies. Empirical studies have yielded controversial results, which cannot be reconciled by existing theories. In this paper, we present a simple theoretical model based on first principles of energy conservation and allometric scaling laws. The model takes into considerations the energy tradeoffs between life history traits and the efficiency of the energy utilization, and offers quantitative and qualitative explanations for a set of seemingly contradictory empirical results. We show that oxidative metabolism can affect cellular damage and longevity in different ways in animals with different life histories and under different experimental conditions. Qualitative data and the linearity between energy expenditure, cellular damage, and lifespan assumed in previous studies are not sufficient to understand the complexity of the relationships. Our model provides a theoretical framework for quantitative analyses and predictions. The model is supported by a variety of empirical studies, including studies on the cellular damage profile during ontogeny; the intra- and inter-specific correlations between body mass, metabolic rate, and lifespan; and the effects on lifespan of (1) diet restriction and genetic modification of growth hormone, (2) the cold and exercise stresses, and (3) manipulations of antioxidant. Copyright © 2015 The Authors. Published by Elsevier Ireland Ltd.. All rights reserved.
Estimating standard errors in feature network models.

PubMed

Frank, Laurence E; Heiser, Willem J

2007-05-01

Feature network models are graphical structures that represent proximity data in a discrete space while using the same formalism that is the basis of least squares methods employed in multidimensional scaling. Existing methods to derive a network model from empirical data only give the best-fitting network and yield no standard errors for the parameter estimates. The additivity properties of networks make it possible to consider the model as a univariate (multiple) linear regression problem with positivity restrictions on the parameters. In the present study, both theoretical and empirical standard errors are obtained for the constrained regression parameters of a network model with known features. The performance of both types of standard error is evaluated using Monte Carlo techniques.
Do Stress Trajectories Predict Mortality in Older Men? Longitudinal Findings from the VA Normative Aging Study

PubMed Central

Aldwin, Carolyn M.; Molitor, Nuoo-Ting; Avron, Spiro; Levenson, Michael R.; Molitor, John; Igarashi, Heidi

2011-01-01

We examined long-term patterns of stressful life events (SLE) and their impact on mortality contrasting two theoretical models: allostatic load (linear relationship) and hormesis (inverted U relationship) in 1443 NAS men (aged 41–87 in 1985; M = 60.30, SD = 7.3) with at least two reports of SLEs over 18 years (total observations = 7,634). Using a zero-inflated Poisson growth mixture model, we identified four patterns of SLE trajectories, three showing linear decreases over time with low, medium, and high intercepts, respectively, and one an inverted U, peaking at age 70. Repeating the analysis omitting two health-related SLEs yielded only the first three linear patterns. Compared to the low-stress group, both the moderate and the high-stress groups showed excess mortality, controlling for demographics and health behavior habits, HRs = 1.42 and 1.37, ps <.01 and <.05. The relationship between stress trajectories and mortality was complex and not easily explained by either theoretical model. PMID:21961066
Processes of Internal and International Migration from Chitwan, Nepal.

PubMed

Bohra, Pratikshya; Massey, Douglas S

2009-01-01

In this study we examine which factors predict internal and international migration from Chitwan, a flat valley located in the South-Central region of Nepal, seeking to measure the effect of theoretically specified variables such as human capital, social capital, physical capital, and neighborhood socioeconomic conditions while controlling for demographic variables. We use data from the Chitwan Valley Family Study (CVFS) to estimate a series of discrete time event history models of first and repeat migration to three competing destinations: other locations within Chitwan, other districts within Nepal, and places outside of Nepal. Results support hypotheses derived from neoclassical economics, the theory of new economics of migration, social capital theory, and cumulative causation theory. Our results underscore the need for a synthetic theoretical model that incorporates factors operating at the individual, household, and community levels. The use of multiple explanatory models yields a clearer picture of the forces driving internal and international migration from rural districts in developing nations such as Nepal.
Processes of Internal and International Migration from Chitwan, Nepal

PubMed Central

Bohra, Pratikshya; Massey, Douglas S.

2011-01-01

In this study we examine which factors predict internal and international migration from Chitwan, a flat valley located in the South-Central region of Nepal, seeking to measure the effect of theoretically specified variables such as human capital, social capital, physical capital, and neighborhood socioeconomic conditions while controlling for demographic variables. We use data from the Chitwan Valley Family Study (CVFS) to estimate a series of discrete time event history models of first and repeat migration to three competing destinations: other locations within Chitwan, other districts within Nepal, and places outside of Nepal. Results support hypotheses derived from neoclassical economics, the theory of new economics of migration, social capital theory, and cumulative causation theory. Our results underscore the need for a synthetic theoretical model that incorporates factors operating at the individual, household, and community levels. The use of multiple explanatory models yields a clearer picture of the forces driving internal and international migration from rural districts in developing nations such as Nepal. PMID:21423821
Background noise in piezoresistive, electret condenser, and ceramic microphones.

PubMed

Zuckerwar, Allan J; Kuhn, Theodore R; Serbyn, Roman M

2003-06-01

Background noise studies have been extended from air condenser microphones to piezoresistive, electret condenser, and ceramic microphones. Theoretical models of the respective noise sources within each microphone are developed and are used to derive analytical expressions for the noise power spectral density for each type. Several additional noise sources for the piezoresistive and electret microphones, beyond what had previously been considered, were applied to the models and were found to contribute significantly to the total noise power spectral density. Experimental background noise measurements were taken using an upgraded acoustic isolation vessel and data acquisition system, and the results were compared to the theoretically obtained expressions. The models were found to yield power spectral densities consistent with the experimental results. The measurements reveal that the 1/f noise coefficient is strongly correlated with the diaphragm damping resistance, irrespective of the detection technology, i.e., air condenser, piezoresistive, etc. This conclusion has profound implications upon the expected 1/f noise component of micromachined (MEMS) microphones.
Stereotype Threat and College Academic Performance: A Latent Variables Approach*

PubMed Central

Owens, Jayanti; Massey, Douglas S.

2013-01-01

Stereotype threat theory has gained experimental and survey-based support in helping explain the academic underperformance of minority students at selective colleges and universities. Stereotype threat theory states that minority students underperform because of pressures created by negative stereotypes about their racial group. Past survey-based studies, however, are characterized by methodological inefficiencies and potential biases: key theoretical constructs have only been measured using summed indicators and predicted relationships modeled using ordinary least squares. Using the National Longitudinal Survey of Freshman, this study overcomes previous methodological shortcomings by developing a latent construct model of stereotype threat. Theoretical constructs and equations are estimated simultaneously from multiple indicators, yielding a more reliable, valid, and parsimonious test of key propositions. Findings additionally support the view that social stigma can indeed have strong negative effects on the academic performance of pejoratively stereotyped racial-minority group members, not only in laboratory settings, but also in the real world. PMID:23950616
Orientation-controlled parallel assembly at the air-water interface

NASA Astrophysics Data System (ADS)

Park, Kwang Soon; Hao Hoo, Ji; Baskaran, Rajashree; Böhringer, Karl F.

2012-10-01

This paper presents an experimental and theoretical study with statistical analysis of a high-yield, orientation-specific fluidic self-assembly process on a preprogrammed template. We demonstrate self-assembly of thin (less than few hundred microns in thickness) parts, which is vital for many applications in miniaturized platforms but problematic for today's pick-and-place robots. The assembly proceeds row-by-row as the substrate is pulled up through an air-water interface. Experiments and analysis are presented with an emphasis on the combined effect of controlled surface waves and magnetic force. For various gap values between a magnet and Ni-patterned parts, magnetic force distributions are generated using Monte Carlo simulation and employed to predict assembly yield. An analysis of these distributions shows that a gradual decline in yield following the probability density function can be expected with degrading conditions. The experimentally determined critical magnetic force is in good agreement with a derived value from a model of competing forces acting on a part. A general set of design guidelines is also presented from the developed model and experimental data.
Clusters of DNA induced by ionizing radiation: formation of short DNA fragments. I. Theoretical modeling

NASA Technical Reports Server (NTRS)

Holley, W. R.; Chatterjee, A.

1996-01-01

We have developed a general theoretical model for the interaction of ionizing radiation with chromatin. Chromatin is modeled as a 30-nm-diameter solenoidal fiber comprised of 20 turns of nucleosomes, 6 nucleosomes per turn. Charged-particle tracks are modeled by partitioning the energy deposition between primary track core, resulting from glancing collisions with 100 eV or less per event, and delta rays due to knock-on collisions involving energy transfers >100 eV. A Monte Carlo simulation incorporates damages due to the following molecular mechanisms: (1) ionization of water molecules leading to the formation of OH, H, eaq, etc.; (2) OH attack on sugar molecules leading to strand breaks: (3) OH attack on bases; (4) direct ionization of the sugar molecules leading to strand breaks; (5) direct ionization of the bases. Our calculations predict significant clustering of damage both locally, over regions up to 40 bp and over regions extending to several kilobase pairs. A characteristic feature of the regional damage predicted by our model is the production of short fragments of DNA associated with multiple nearby strand breaks. The shapes of the spectra of DNA fragment lengths depend on the symmetries or approximate symmetries of the chromatin structure. Such fragments have subsequently been detected experimentally and are reported in an accompanying paper (B. Rydberg, Radiat, Res. 145, 200-209, 1996) after exposure to both high- and low-LET radiation. The overall measured yields agree well quantitatively with the theoretical predictions. Our theoretical results predict the existence of a strong peak at about 85 bp, which represents the revolution period about the nucleosome. Other peaks at multiples of about 1,000 bp correspond to the periodicity of the particular solenoid model of chromatin used in these calculations. Theoretical results in combination with experimental data on fragmentation spectra may help determine the consensus or average structure of the chromatin fibers in mammalian DNA.
Mu-2 ranging

NASA Technical Reports Server (NTRS)

Martin, W. L.; Zygielbaum, A. I.

1977-01-01

The Mu-II Dual-Channel Sequential Ranging System designed as a model for future Deep Space Network ranging equipment is described. A list of design objectives is followed by a theoretical explanation of the digital demodulation techniques first employed in this machine. Hardware and software implementation are discussed, together with the details relating to the construction of the device. Two appendixes are included relating to the programming and operation of this equipment to yield the maximum scientific data.
Impact of Stellar Convection Criteria on the Nucleosynthetic Yields of Population III Supernovae.

NASA Astrophysics Data System (ADS)

Teffs, Jacob; Young, Tim; Lawlor, Tim

2018-01-01

A grid of 15-80 solar mass Z=0 stellar models are evolved to pre-core collapse using the stellar evolution code BRAHAMA. Each initial zero-age main sequence mass model star is evolved with two different convection criteria, Ledoux and Schwarzchild. The choice of convection produces significant changes in the evolutionary model tracks on the HR diagram, mass loss, and interior core and envelope structures. At onset of core collapse, a SNe explosion is initiated using a one-dimensional radiation-hydrodynamics code and followed for 400 days. The explosion energy is varied between 1-10 foes depending on the model as there are no observationally determined energies for population III supernovae. Due to structure differences, the Schwarzchild models resemble Type II-P SNe in their lightcurve while the Ledoux models resemble SN1987a, a Type IIpec. The nucleosynthesis is calculated using TORCH, a 3,208 isotope network, in a post process method using the hydrodynamic history. The Ledoux models have, on average, higher yields for elements above Fe compared to the Schwarzchild. Using a Salpeter IMF and other recently published population III IMF’s, the net integrated yields per solar mass are calculated and compared to published theoretical results and to published observations of extremely metal poor halo stars of [Fe/H] < -3. Preliminary results show the lower mass models of both criteria show similar trends to the extremely metal poor halo stars but more work and analysis is required.

EXTREMELY METAL-POOR STARS AND A HIERARCHICAL CHEMICAL EVOLUTION MODEL

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

Komiya, Yutaka

2011-07-20

Early phases of the chemical evolution of the Galaxy and formation history of extremely metal-poor (EMP) stars are investigated using hierarchical galaxy formation models. We build a merger tree of the Galaxy according to the extended Press-Schechter theory. We follow the chemical evolution along the tree and compare the model results to the metallicity distribution function and abundance ratio distribution of the Milky Way halo. We adopt three different initial mass functions (IMFs). In a previous study, we argued that the typical mass, M{sub md}, of EMP stars should be high, M{sub md} {approx} 10 M{sub sun}, based on studiesmore » of binary origin carbon-rich EMP stars. In this study, we show that only the high-mass IMF can explain an observed small number of EMP stars. For relative element abundances, the high-mass IMF and the Salpeter IMF predict similar distributions. We also investigate dependence on nucleosynthetic yields of supernovae (SNe). The theoretical SN yields by Kobayashi et al. and Chieffi and Limongi show reasonable agreement with observations for {alpha}-elements. Our model predicts a significant scatter of element abundances at [Fe/H] < -3. We adopted the stellar yields derived in the work of Francois et al., which produce the best agreement between the observational data and the one-zone chemical evolution model. Their yields well reproduce a trend of the averaged abundances of EMP stars but predict much larger scatter than do the observations. The model with hypernovae predicts Zn abundance, in agreement with the observations, but other models predict lower [Zn/Fe]. Ejecta from the hypernovae with large explosion energy is mixed in large mass and decreases the scatter of the element abundances.« less
The isotropic local Wigner-Seitz model: An accurate theoretical model for the quasi-free electron energy in fluids

NASA Astrophysics Data System (ADS)

Evans, Cherice; Findley, Gary L.

The quasi-free electron energy V0 (ρ) is important in understanding electron transport through a fluid, as well as for modeling electron attachment reactions in fluids. Our group has developed an isotropic local Wigner-Seitz model that allows one to successfully calculate the quasi-free electron energy for a variety of atomic and molecular fluids from low density to the density of the triple point liquid with only a single adjustable parameter. This model, when coupled with the quasi-free electron energy data and the thermodynamic data for the fluids, also can yield optimized intermolecular potential parameters and the zero kinetic energy electron scattering length. In this poster, we give a review of the isotropic local Wigner-Seitz model in comparison to previous theoretical models for the quasi-free electron energy. All measurements were performed at the University of Wisconsin Synchrotron Radiation Center. This work was supported by a Grants from the National Science Foundation (NSF CHE-0956719), the Petroleum Research Fund (45728-B6 and 5-24880), the Louisiana Board of Regents Support Fund (LEQSF(2006-09)-RD-A33), and the Professional Staff Congress City University of New York.
Dynamic Smagorinsky model on anisotropic grids

NASA Technical Reports Server (NTRS)

Scotti, A.; Meneveau, C.; Fatica, M.

1996-01-01

Large Eddy Simulation (LES) of complex-geometry flows often involves highly anisotropic meshes. To examine the performance of the dynamic Smagorinsky model in a controlled fashion on such grids, simulations of forced isotropic turbulence are performed using highly anisotropic discretizations. The resulting model coefficients are compared with a theoretical prediction (Scotti et al., 1993). Two extreme cases are considered: pancake-like grids, for which two directions are poorly resolved compared to the third, and pencil-like grids, where one direction is poorly resolved when compared to the other two. For pancake-like grids the dynamic model yields the results expected from the theory (increasing coefficient with increasing aspect ratio), whereas for pencil-like grids the dynamic model does not agree with the theoretical prediction (with detrimental effects only on smallest resolved scales). A possible explanation of the departure is attempted, and it is shown that the problem may be circumvented by using an isotropic test-filter at larger scales. Overall, all models considered give good large-scale results, confirming the general robustness of the dynamic and eddy-viscosity models. But in all cases, the predictions were poor for scales smaller than that of the worst resolved direction.
Measuring Community Resilience to Coastal Hazards along the Northern Gulf of Mexico

PubMed Central

Lam, Nina S. N.; Reams, Margaret; Li, Kenan; Li, Chi; Mata, Lillian P.

2016-01-01

The abundant research examining aspects of social-ecological resilience, vulnerability, and hazards and risk assessment has yielded insights into these concepts and suggested the importance of quantifying them. Quantifying resilience is complicated by several factors including the varying definitions of the term applied in the research, difficulties involved in selecting and aggregating indicators of resilience, and the lack of empirical validation for the indices derived. This paper applies a new model, called the resilience inference measurement (RIM) model, to quantify resilience to climate-related hazards for 52 U.S. counties along the northern Gulf of Mexico. The RIM model uses three elements (exposure, damage, and recovery indicators) to denote two relationships (vulnerability and adaptability), and employs both K-means clustering and discriminant analysis to derive the resilience rankings, thus enabling validation and inference. The results yielded a classification accuracy of 94.2% with 28 predictor variables. The approach is theoretically sound and can be applied to derive resilience indices for other study areas at different spatial and temporal scales. PMID:27499707
B{yields}X{sub s{gamma}} rate and CP asymmetry within the aligned two-Higgs-doublet model

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

Jung, Martin; Pich, Antonio; Tuzon, Paula

In the two-Higgs-doublet model the alignment of the Yukawa matrices in flavor space guarantees the absence of flavor-changing neutral currents at tree level, while introducing new sources for CP violation parametrized in a very economical way [Antonio Pich and Paula Tuzon, Phys. Rev. D 80, 091702 (2009)]. This implies a potentially large influence in a number of processes, b{yields}s{gamma} being a prominent example where rather high experimental and theoretical precision meet. We analyze the CP rate asymmetry in this inclusive decay and determine the resulting constraints on the model parameters. We demonstrate the compatibility with previously obtained limits [Martin Jung,more » Antonio Pich, and Paula Tuzon, J. High Energy Phys. 11 (2010) 003]. Moreover, we extend the phenomenological analysis of the branching ratio, and examine the influence of resulting correlations on the like-sign dimuon charge asymmetry in B decays.« less
Measuring Community Resilience to Coastal Hazards along the Northern Gulf of Mexico.

PubMed

Lam, Nina S N; Reams, Margaret; Li, Kenan; Li, Chi; Mata, Lillian P

2016-02-01

The abundant research examining aspects of social-ecological resilience, vulnerability, and hazards and risk assessment has yielded insights into these concepts and suggested the importance of quantifying them. Quantifying resilience is complicated by several factors including the varying definitions of the term applied in the research, difficulties involved in selecting and aggregating indicators of resilience, and the lack of empirical validation for the indices derived. This paper applies a new model, called the resilience inference measurement (RIM) model, to quantify resilience to climate-related hazards for 52 U.S. counties along the northern Gulf of Mexico. The RIM model uses three elements (exposure, damage, and recovery indicators) to denote two relationships (vulnerability and adaptability), and employs both K-means clustering and discriminant analysis to derive the resilience rankings, thus enabling validation and inference. The results yielded a classification accuracy of 94.2% with 28 predictor variables. The approach is theoretically sound and can be applied to derive resilience indices for other study areas at different spatial and temporal scales.
All possible tripartitions of {}(236) 236U isotope in collinear configuration

NASA Astrophysics Data System (ADS)

Santhosh, K. P.; Krishnan, Sreejith; Joseph, Jayesh George

2018-07-01

Using the recently proposed unified ternary fission model (UTFM), the tripartition of ^{236}U isotope was studied for all possible fragmentations, in which the interacting potential barrier is taken as the sum of the Coulomb and proximity potentials with fragments in collinear configuration. The highest yield is obtained for the fragmentation ^{48}Ca{+}^{58}Ti{+}^{130}Sn and next highest yield is found for ^{58}Cr{+}^{46}Ar{+}^{132}Sn, which stress the importance of doubly magic or near doubly magic nuclei in the tripartition of ^{236}U isotope. The formation of ^{68}Ni and ^{70}Ni as the edge fragments linking the doubly magic nucleus ^{132}Sn by the isotope of Si is in good agreement with experimental and theoretical studies, in the collinear cluster tripartition of ^{236}U isotope which reveals the reliability of our model (UTFM) in ternary fission.
Analysis of eccentric annular incompressible seals. II - Effects of eccentricity on rotordynamic coefficients

NASA Technical Reports Server (NTRS)

Nelson, C. C.; Nguyen, D. T.

1987-01-01

A new analysis procedure has been presented which solves for the flow variables of an annular pressure seal in which the rotor has a large static displacement (eccentricity) from the centered position. The present paper incorporates the solutions to investigate the effect of eccentricity on the rotordynamic coefficients. The analysis begins with a set of governing equations based on a turbulent bulk-flow model and Moody's friction factor equation. Perturbations of the flow variables yields a set of zeroth- and first-order equations. After integration of the zeroth-order equations, the resulting zeroth-order flow variables are used as input in the solution of the first-order equations. Further integration of the first order pressures yields the eccentric rotordynamic coefficients. The results from this procedure compare well with available experimental and theoretical data, with accuracy just as good or slightly better than the predictions based on a finite-element model.
Singlet delta oxygen generation for Chemical Oxygen-Iodine Lasers

NASA Astrophysics Data System (ADS)

Georges, E.; Mouthon, A.; Barraud, R.

1991-10-01

The development of Chemical Oxygen-Iodine Lasers is based on the generation of singlet delta oxygen. To improve the overall efficiency of these lasers, it is necessary to increase the generator production and yield of singlet delta oxygen at low and high pressure, respectively, for subsonic and supersonic lasers. Furthermore, the water vapor content must be as low as possible. A generator model, based on gas-liquid reaction and liquid-vapor equilibrium theories associated with thermophysical evaluations is presented. From model predictions, operating conditions have been drawn to attain the following experimental results in a bubble-column: by increasing the superficial gas velocity, the production of singlet delta oxygen is largely improved at low pressure; by mixing chlorine with an inert gas before injection in the reactor, this yield is maintained constant up to higher pressure. A theoretical analysis of these experimental results and their consequences for both subsonic and supersonic lasers are presented.
Spectroscopy of the three-photon laser excitation of cold Rubidium Rydberg atoms in a magneto-optical trap

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

Entin, V. M.; Yakshina, E. A.; Tretyakov, D. B.

2013-05-15

The spectra of the three-photon laser excitation 5S{sub 1/2} {yields} 5P{sub 3/2} {yields} 6S{sub 1/2}nP of cold Rb Rydberg atoms in an operating magneto-optical trap based on continuous single-frequency lasers at each stage are studied. These spectra contain two partly overlapping peaks of different amplitudes, which correspond to coherent three-photon excitation and incoherent three-step excitation due to the presence of two different ways of excitation through the dressed states of intermediate levels. A four-level theoretical model based on optical Bloch equations is developed to analyze these spectra. Good agreement between the experimental and calculated data is achieved by introducing additionalmore » decay of optical coherence induced by a finite laser line width and other broadening sources (stray electromagnetic fields, residual Doppler broadening, interatomic interactions) into the model.« less
Stellar nucleosynthesis and chemical evolution of the solar neighborhood

NASA Technical Reports Server (NTRS)

Clayton, Donald D.

1988-01-01

Current theoretical models of nucleosynthesis (N) in stars are reviewed, with an emphasis on their implications for Galactic chemical evolution. Topics addressed include the Galactic population II red giants and early N; N in the big bang; star formation, stellar evolution, and the ejection of thermonuclearly evolved debris; the chemical evolution of an idealized disk galaxy; analytical solutions for a closed-box model with continuous infall; and nuclear burning processes and yields. Consideration is given to shell N in massive stars, N related to degenerate cores, and the types of observational data used to constrain N models. Extensive diagrams, graphs, and tables of numerical data are provided.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Miftakov, V

The BABAR experiment at SLAC provides an opportunity for measurement of the Standard Model parameters describing CP violation. A method of measuring the CKM matrix element |V{sub cb}| using Inclusive Semileptonic B decays in events tagged by a fully reconstructed decay of one of the B mesons is presented here. This mode is considered to be one of the most powerful approaches due to its large branching fraction, simplicity of the theoretical description and very clean experimental signatures. Using fully reconstructed B mesons to flag B{bar B} event we were able to produce the spectrum and branching fraction for electronmore » momenta P{sub C.M.S.} > 0.5 GeV/c. Extrapolation to the lower momenta has been carried out with Heavy Quark Effective Theory. The branching fractions are measured separately for charged and neutral B mesons. For 82 fb{sup -1} of data collected at BABAR we obtain: BR(B{sup {+-}} {yields} X e{bar {nu}}) = 10.63 {+-} 0.24 {+-} 0.29%, BR(B{sup 0} {yields} X e{bar {nu}}) = 10.68 {+-} 0.34 {+-} 0.31%, averaged BR(B {yields} X e{bar {nu}}) = 10.65 {+-} 0.19 {+-} 0.27%, ratio of Branching fractions BR(B{sup {+-}})/BR(B{sup 0}) = 0.996 {+-} 0.039 {+-} 0.015 (errors are statistical and systematic, respectively). They also obtain V{sub cb} = 0.0409 {+-} 0.00074 {+-} 0.0010 {+-} 0.000858 (errors are: statistical, systematic and theoretical).« less
Elimination of metabolic pathways to all traditional fermentation products increases ethanol yields in Clostridium thermocellum

DOE PAGES

Papanek, Beth A.; Biswas, Ranjita; Rydzak, Thomas; ...

2015-09-12

Clostridium thermocellum has the natural ability to convert cellulose to ethanol, making it a promising candidate for consolidated bioprocessing (CBP) of cellulosic biomass to biofuels. To further improve its CBP capabilities, we study a mutant strain of C. thermocellum that was constructed (strain AG553; C. thermocellum Δhpt ΔhydG Δldh Δpfl Δpta-ack) to increase flux to ethanol by removing side product formation. Strain AG553 showed a two- to threefold increase in ethanol yield relative to the wild type on all substrates tested. On defined medium, strain AG553 exceeded 70% of theoretical ethanol yield on lower loadings of the model crystalline cellulosemore » Avicel, effectively eliminating formate, acetate, and lactate production and reducing H 2 production by fivefold. On 5 g/L Avicel, strain AG553 reached an ethanol yield of 63.5% of the theoretical maximum compared with 19.9% by the wild type, and it showed similar yields on pretreated switchgrass and poplar. The elimination of organic acid production suggested that the strain might be capable of growth under higher substrate loadings in the absence of pH control. Final ethanol titer peaked at 73.4 mM in mutant AG553 on 20 g/L Avicel, at which point the pH decreased to a level that does not allow growth of C. thermocellum, likely due to CO 2 accumulation. In comparison, the maximum titer of wild type C. thermocellum was 14.1 mM ethanol on 10 g/L Avicel. In conclusion, with the elimination of the metabolic pathways to all traditional fermentation products other than ethanol, AG553 is the best ethanol-yielding CBP strain to date and will serve as a platform strain for further metabolic engineering for the bioconversion of lignocellulosic biomass.« less
Shape and fission instabilities of ferrofluids in non-uniform magnetic fields

NASA Astrophysics Data System (ADS)

Vieu, Thibault; Walter, Clément

2018-04-01

We study static distributions of ferrofluid submitted to non-uniform magnetic fields. We show how the normal-field instability is modified in the presence of a weak magnetic field gradient. Then we consider a ferrofluid droplet and show how the gradient affects its shape. A rich phase transitions phenomenology is found. We also investigate the creation of droplets by successive splits when a magnet is vertically approached from below and derive theoretical expressions which are solved numerically to obtain the number of droplets and their aspect ratio as function of the field configuration. A quantitative comparison is performed with previous experimental results, as well as with our own experiments, and yields good agreement with the theoretical modeling.
Theoretical Model of the Effect of Crack Tip Blunting on the Ultimate Tensile Strength of Welds in 2219-T87 Aluminum

NASA Technical Reports Server (NTRS)

Beil, R. J.

1982-01-01

A theoretical model representing blunting of a crack tip radius through diffusion of vacancies is presented. The model serves as the basis for a computer program which calculates changes, due to successive weld heat passes, in the ultimate tensile strength of 2219-T81 aluminum. In order for the model to yield changes of the same order in the ultimate tensile strength as that observed experimentally, a crack tip radius of the order of .001 microns is required. Such sharp cracks could arise in the fusion zone of a weld from shrinkage cavities or decohered phase boundaries between dendrites and the eutectic phase, or, possibly, from plastic deformation due to thermal stresses encountered during the welding process. Microstructural observations up to X2000 (resolution of about .1 micron) did not, in the fusion zone, show structural details which changed significantly under the influence of a heat pass, with the exception of possible small changes in the configuration of the interdendritic eutectic and in porosity build-up in the remelt zone.
Switchgrass and Giant Miscanthus Biomass and Theoretical Ethanol Production from Reclaimed Mine Lands

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

Wolfrum, Edward J; Scagline-Mellor, Steffany; Griggs, Thomas

Switchgrass (Panicum virgatum L.) and giant miscanthus (Miscanthus x giganteus Greef & Deuter ex Hodkinson & Renvoize) are productive on marginal lands in the eastern USA, but their productivity and composition have not been compared on mine lands. Our objectives were to compare biomass production, composition, and theoretical ethanol yield (TEY) and production (TEP) of these grasses on a reclaimed mined site. Following 25 years of herbaceous cover, vegetation was killed and plots of switchgrass cultivars Kanlow and BoMaster and miscanthus lines Illinois and MBX-002 were planted in five replications. Annual switchgrass and miscanthus yields averaged 5.8 and 8.9 Mgmore » dry matter ha-1, respectively, during 2011 to 2015. Cell wall carbohydrate composition was analyzed via near-infrared reflectance spectroscopy with models based on switchgrass or mixed herbaceous samples including switchgrass and miscanthus. Concentrations were higher for glucan and lower for xylan in miscanthus than in switchgrass but TEY did not differ (453 and 450 L Mg-1, respectively). In response to biomass production, total ethanol production was greater for miscanthus than for switchgrass (5594 vs 3699 L ha-1), did not differ between Kanlow and BoMaster switchgrass (3880 and 3517 L ha-1, respectively), and was higher for MBX-002 than for Illinois miscanthus (6496 vs 4692 L ha-1). Relative to the mixed feedstocks model, the switchgrass model slightly underpredicted glucan and slightly overpredicted xylan concentrations. Estimated TEY was slightly lower from the switchgrass model but both models distinguished genotype, year, and interaction effects similarly. Biomass productivity and TEP were similar to those from agricultural sites with marginal soils.« less
[Effects of Chemical Fertilizers and Organic Fertilizer on Yield of Ligusticum chuanxiong Rhizome].

PubMed

Liang, Qin; Chen, Xing-fu; Li, Yan; Zhang, Jun; Meng, Jie; Peng, Shi-ming

2015-10-01

To study the effects of different N, P, K and organic fertilizer (OF) on yield of Ligusticum chuanxiong rhizome, in order to provide the theoretical foundation for the establishment of standardization cultivation techniques. The field plot experiments used Ligusticum chuanxiong rhizome which planted in Pengshan as material, and were studied by the four factors and five levels with quadratic regression rotation-orthogonal combination design. According to the data obtained, a function model which could predict the fertilization and yield of Ligusticum chuanxiong rhizome accurately was established. The model analysis showed that the yields of Ligusticum chuanxiong rhizome were significantly influenced by the N, P, K and OF applications. Among these factors, the order of increase rates by the fertilizers was K > OF > N > P; The effect of interaction between N and K, N and OF, K and OF on the yield of Ligusticum chuanxiong rhizome were significantly different. High levels of N and P, N and organic fertilizer, K and organic fertilizer were conducive to improve the yield of Ligusticum chuanxiong rhizome. The results showed that the optimal fertilizer application rates of N was 148.20 - 172.28 kg/hm2, P was 511.92 - 599.40 kg/hm2, K was 249.70 - 282.37 kg/hm2, and OF was 940.00 - 1 104.00 kg/hm2. N, P, K and OF obviously affect the yield of Ligusticum chuanxiong rhizome. K and OF can significantly increase the yield of Ligusticum chuanxiong rhizome. Thus it is suggested that properly high mount of K and OF and appropriate increasing N are two favorable factors for cultivating Ligusticum chuanxiong.
M shell X-ray production cross sections and fluorescence yields for the elements with 71 <= Z <= 92 using 5.96 keV photons

NASA Astrophysics Data System (ADS)

Puri, S.; Mehta, D.; Chand, B.; Singh, Nirmal; Mangal, P. C.; Trehan, P. N.

1993-03-01

Total M X-ray production (XRP) cross sections for ten elements in the atomic number region 71 ≤ Z ≤ 92 were measured at 5.96 keV incident photon energy. The average M shell fluorescence yields < overlineωM> have also been computed using the present measured cross section values and the theoretical M shell photoionisation cross sections. The results are compared with theoretical values.
Relative L-shell X-ray intensities of Pt, Pb and Bi following ionization by 59.54 keV γ-rays

NASA Astrophysics Data System (ADS)

Dhal, B. B.; Padhi, H. C.

1994-12-01

Relative L-shell X-ray intensities of Pt, Pb and Bi have been measured following ionization by 59.54 keV photons from an 241 Am point source. The measured ratios have been compared with the theoretical ratios estimated using the photoionization cross-sections of Scofield and different decay yield data. The comparison shows good agreement for Pb and Bi with the decay yield data of Krause, but the decay yield data of Xu and Xu overestimates the ratios, particularly for the {I γ}/{I α} ratio. Our results for Pb and Bi with improved error limits also agree with the previous experimental results of Shatendra et al. For Pt our present results are found to lie between the two theoretical results obtained by using different sets of decay yield data.
Assessment of the Effect of Climate Change on Grain Yields in China

NASA Astrophysics Data System (ADS)

Chou, J.

2006-12-01

The paper elaborates the social background and research background; makes clear what the key scientific issues need to be resolved and where the difficulties are. In the research area of parasailing the grain yield change caused by climate change, massive works have been done both in the domestic and in the foreign. It is our upcoming work to evaluate how our countrywide climate change information provided by this pattern influence our economic and social development; and how to make related policies and countermeasures. the main idea in this paper is that the grain yield change is by no means the linear composition of social economy function effect and the climatic change function effect. This paper identifies the economic evaluation object, proposes one new concept - climate change output. The grain yields change affected by the social factors and the climatic change working together. Climate change influences the grain yields by the non ¨C linear function from both climate change and social factor changes, not only by climate change itself. Therefore, in my paper, the appraisal object is defined as: The social factors change based on actual social changing situations; under the two kinds of climate change situation, the invariable climate change situation and variable climate change situation; the difference of grain yield outputs is called " climate change output ", In order to solve this problem, we propose a method to analyze and imitate on the historical materials. Giving the condition that the climate is invariable, the social economic factor changes cause the grain yield change. However, this grain yield change is a tentative quantity index, not an actual quantity number. So we use the existing historical materials to exam the climate change output, based on the characteristic that social factor changes greater in year than in age, but the climate factor changes greater in age than in year. The paper proposes and establishes one economy - climate model (C-D-C model) to appraise the grain yield change caused by the climatic change. Also the preliminary test on this model has been done. In selection of the appraisal methods, we take the C-D production function model, which has been proved more mature in the economic research, as our fundamental model. Then, we introduce climate index (arid index) to the C-D model to develop one new model. This new model utilizes the climatic change factor in the economical model to appraise how the climatic change influence the grain yield change. The new way of appraise should have the better application prospect. The economy - climate model (The C-D-C model) has been applied on the eight Chinese regions that we divide; it has been proved satisfactory in its feasibility, rationality and the application prospect. So we can provide the theoretical fundamentals for policy-making under the more complex and uncertain climate change. Therefore, we open a new possible channel for the global climate change research moving toward the actual social, economic life.

Isobaric yield ratio difference and Shannon information entropy

NASA Astrophysics Data System (ADS)

Ma, Chun-Wang; Wei, Hui-Ling; Wang, Shan-Shan; Ma, Yu-Gang; Wada, Ryoichi; Zhang, Yan-Li

2015-03-01

The Shannon information entropy theory is used to explain the recently proposed isobaric yield ratio difference (IBD) probe which aims to determine the nuclear symmetry energy. Theoretically, the difference between the Shannon uncertainties carried by isobars in two different reactions (ΔIn21), is found to be equivalent to the difference between the chemical potentials of protons and neutrons of the reactions [the IBD probe, IB- Δ(βμ)21, with β the reverse temperature]. From the viewpoints of Shannon information entropy, the physical meaning of the above chemical potential difference is interpreted by ΔIn21 as denoting the nuclear symmetry energy or density difference between neutrons and protons in reactions more concisely than from the statistical ablation-abrasion model.
Structural Assessment of Externally Strengthened Bridge Deck Panels

NASA Astrophysics Data System (ADS)

Sim, Jongsung; Oh, Hongseob; Meyer, Christian

2006-03-01

Deteriorated concrete bridge decks are strengthened with external bonding technique using either steel plate or various FRPs to enhance the decreased load carrying capacity and serviceability. But the failure characteristics of bridge decks strengthened with various materials can be changed according to mechanical properties of strengthening materials or strengthening scheme as well as the strengthening amount. In this paper, strengthening effect of deck strengthened with carbon fiber sheets, glass fiber sheets or steel plates is compared. And the theoretical load carrying capacity are evaluated using yield line theory and punching shear model properly modified for the strengthened RC member. The panels strengthened with sheet type FRP materials failed more often in a ductile mode, indicating that the failure developed after the rebar yielded.
Water catalysis and anticatalysis in photochemical reactions: observation of a delayed threshold effect in the reaction quantum yield.

PubMed

Kramer, Zeb C; Takahashi, Kaito; Skodje, Rex T

2010-11-03

The possible catalysis of photochemical reactions by water molecules is considered. Using theoretical simulations, we investigate the HF-elimination reaction of fluoromethanol in small water clusters initiated by the overtone excitation of the hydroxyl group. The reaction occurs in competition with the process of water evaporation that dissipates the excitation and quenches the reaction. Although the transition state barrier is stabilized by over 20 kcal/mol through hydrogen bonding with water, the quantum yield versus energy shows a pronounced delayed threshold that effectively eliminates the catalytic effect. It is concluded that the quantum chemistry calculations of barrier lowering are not sufficient to infer water catalysis in some photochemical reactions, which instead require dynamical modeling.
Spontaneous Contractility-Mediated Cortical Flow Generates Cell Migration in Three-Dimensional Environments

PubMed Central

Hawkins, Rhoda J.; Poincloux, Renaud; Bénichou, Olivier; Piel, Matthieu; Chavrier, Philippe; Voituriez, Raphaël

2011-01-01

We present a model of cell motility generated by actomyosin contraction of the cell cortex. We identify, analytically, dynamical instabilities of the cortex and show that they yield steady-state cortical flows, which, in turn, can induce cell migration in three-dimensional environments. This mechanism relies on the regulation of contractility by myosin, whose transport is explicitly taken into account in the model. Theoretical predictions are compared to experimental data of tumor cells migrating in three-dimensional matrigel and suggest that this mechanism could be a general mode of cell migration in three-dimensional environments. PMID:21889440
Development of Switchable Polarity Solvent Draw Solutes

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

Wilson, Aaron D.

Results of a computational fluid dynamic (CFD) study of flow and heat transfer in a printed circuit heat exchanger (PCHE) geometry are presented. CFD results obtained from a two-plate model are compared to corresponding experimental results for the validation. This process provides the basis for further application of the CFD code to PCHE design and performance analysis in a variety of internal flow geometries. As a part of the code verification and validation (V&V) process, CFD simulation of a single semicircular straight channel under laminar isothermal conditions was also performed and compared to theoretical results. This comparison yielded excellent agreementmore » with the theoretical values. The two-plate CFD model based on the experimental PCHE design overestimated the effectiveness and underestimated the pressure drop. However, it is found that the discrepancy between the CFD result and experimental data was mainly caused by the uncertainty in the geometry of heat exchanger during the fabrication. The CFD results obtained using a slightly smaller channel diameter yielded good agreement with the experimental data. A separate investigation revealed that the average channel diameter of the OSU PCHE after the diffusion-bonding was 1.93 mm on the cold fluid side and 1.90 mm on the hot fluid side which are both smaller than the nominal design value. Consequently, the CFD code was shown to have sufficient capability to evaluate the heat exchanger thermal-hydraulic performance.« less
Simultaneous saccharification and fermentation of Eastern redcedar heartwood and sapwood using a novel size reduction technique.

PubMed

Ramachandriya, Karthikeyan D; Wilkins, Mark; Pardo-Planas, Oscar; Atiyeh, Hasan K; Dunford, Nurhan T; Hiziroglu, Salim

2014-06-01

This study investigated the effect of two wood zones (sapwood versus heartwood) and size reduction techniques [Crumbles® (Crumbles® is a registered trademark of Forest Concepts, LLC, Auburn, WA, USA) particles versus ground particles] on wood glucan-to-ethanol yield after acid bisulfite pretreatment and simultaneous saccharification and fermentation (SSF) of Eastern redcedar. SSFs were conducted at 8% solids loading (w/w dry basis) using Accellerase® 1500 at a loading of 46FPU/g glucan and Saccharomyces cerevisiae D5A for ethanol fermentation. The size reduction technique had no effect on ethanol yield. However, sapwood glucan-to-ethanol yields were significantly greater than heartwood yields. The highest wood glucan-to-ethanol yield of 187L/dryMg (95% of theoretical) was achieved with sapwood crumbled particles in 240h. Ground sapwood, crumbled heartwood and ground heartwood achieved ethanol yields of 89%, 81% and 80% of theoretical in 240h, respectively. Preliminary mass balances showed 100% glucan recovery with crumbled sapwood and extensive (72%) delignification. Copyright © 2014 Elsevier Ltd. All rights reserved.
Large electroweak penguin contribution in B{yields}K{pi} and {pi}{pi} decay modes

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

Mishima, Satoshi; Yoshikawa, Tadashi

2004-11-01

We discuss a possibility of large electroweak penguin contribution in B{yields}K{pi} and {pi}{pi} from recent experimental data. The experimental data may be suggesting that there are some discrepancies between the data and theoretical estimation in the branching ratios of them. In B{yields}K{pi} decays, to explain it, a large electroweak penguin contribution and large strong phase differences seem to be needed. The contributions should appear also in B{yields}{pi}{pi}. We show, as an example, a solution to solve the discrepancies in both B{yields}K{pi} and B{yields}{pi}{pi}. However the magnitude of the parameters and the strong phase estimated from experimental data are quite largemore » compared with the theoretical estimations. It may be suggesting some new physics effects are included in these processes. We will have to discuss about the dependence of the new physics. To explain both modes at once, we may need large electroweak penguin contribution with new weak phases and some SU(3) breaking effects by new physics in both QCD and electroweak penguin-type processes.« less
Finite-range Coulomb gas models of banded random matrices and quantum kicked rotors

NASA Astrophysics Data System (ADS)

Pandey, Akhilesh; Kumar, Avanish; Puri, Sanjay

2017-11-01

Dyson demonstrated an equivalence between infinite-range Coulomb gas models and classical random matrix ensembles for the study of eigenvalue statistics. We introduce finite-range Coulomb gas (FRCG) models via a Brownian matrix process, and study them analytically and by Monte Carlo simulations. These models yield new universality classes, and provide a theoretical framework for the study of banded random matrices (BRMs) and quantum kicked rotors (QKRs). We demonstrate that, for a BRM of bandwidth b and a QKR of chaos parameter α , the appropriate FRCG model has the effective range d =b2/N =α2/N , for large N matrix dimensionality. As d increases, there is a transition from Poisson to classical random matrix statistics.
Statistical properties of exciton fine structure splitting and polarization angles in quantum dot ensembles

NASA Astrophysics Data System (ADS)

Gong, Ming; Hofer, B.; Zallo, E.; Trotta, R.; Luo, Jun-Wei; Schmidt, O. G.; Zhang, Chuanwei

2014-05-01

We develop an effective model to describe the statistical properties of exciton fine structure splitting (FSS) and polarization angle in quantum dot ensembles (QDEs) using only a few symmetry-related parameters. The connection between the effective model and the random matrix theory is established. Such effective model is verified both theoretically and experimentally using several rather different types of QDEs, each of which contains hundreds to thousands of QDs. The model naturally addresses three fundamental issues regarding the FSS and polarization angels of QDEs, which are frequently encountered in both theories and experiments. The answers to these fundamental questions yield an approach to characterize the optical properties of QDEs. Potential applications of the effective model are also discussed.
Vapor-liquid phase equilibria of water modelled by a Kim-Gordon potential

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

Maerzke, K A; McGrath, M J; Kuo, I W

2009-03-16

Gibbs ensemble Monte Carlo simulations were carried out to investigate the properties of a frozen-electron-density (or Kim-Gordon, KG) model of water along the vapor-liquid coexistence curve. Because of its theoretical basis, such a KG model provides for seamless coupling to Kohn-Sham density functional theory for use in mixed quantum mechanics/molecular mechanics (QM/MM) implementations. The Gibbs ensemble simulations indicate rather limited transferability of such a simple KG model to other state points. Specifically, a KG model that was parameterized by Barker and Sprik to the properties of liquid water at 300 K, yields saturated vapor pressures and a critical temperature thatmore » are significantly under- and over-estimated, respectively.« less
Finite-range Coulomb gas models of banded random matrices and quantum kicked rotors.

PubMed

Pandey, Akhilesh; Kumar, Avanish; Puri, Sanjay

2017-11-01

Dyson demonstrated an equivalence between infinite-range Coulomb gas models and classical random matrix ensembles for the study of eigenvalue statistics. We introduce finite-range Coulomb gas (FRCG) models via a Brownian matrix process, and study them analytically and by Monte Carlo simulations. These models yield new universality classes, and provide a theoretical framework for the study of banded random matrices (BRMs) and quantum kicked rotors (QKRs). We demonstrate that, for a BRM of bandwidth b and a QKR of chaos parameter α, the appropriate FRCG model has the effective range d=b^{2}/N=α^{2}/N, for large N matrix dimensionality. As d increases, there is a transition from Poisson to classical random matrix statistics.
Synthesis, characterization and photophysical-theoretical analysis of compounds A-π-D. 1. Effect of alkyl-phenyl substituted amines in photophysical properties

NASA Astrophysics Data System (ADS)

Ortega, E.; Montecinos, R.; Cattin, L.; Díaz, F. R.; del Valle, M. A.; Bernède, J. C.

2017-08-01

The study of new dipolar A-π-D molecules, which have an acceptor (A) and donor (D) charge joined by a conjugate bridge, have been an attention focus in the recent years due their different properties. In the current work, a molecular system has been modified in order to compare the effect on properties, such as quantum yield. Thus, two series were generated (alkyl- and alkoxy-substituted) to determine if molecules with tertiary asymmetric amines change their optical properties and whether quantum yield is affected. The different products have been characterized by several techniques such as UV-Vis spectrophotometry, elemental analysis, NMR, FT-IR, mass spectroscopy and fluorescence spectroscopy. Furthermore, their behavior in eight organic solvents, dichloromethane, tetrahydrofuran, ethyl acetate, 1,4-dioxane, acetone, acetonitrile, dimethylformamide and dimethylsulfoxide were experimentally and theoretically studied. The quantum yields were higher for the alkyl-substituted series. Theoretically, the dihedral angles formed between the tertiary amine and carbonyl group moieties have a correlation with quantum yield values, helping to explain why they are higher in non-polar solvents. Consequently, the maximum quantum yield was obtained with (E)-2-cyano-3-(5-((E)-2-(9,9-diethyl-7-(methyl(phenyl)amino)-9H-fluoren-2-yl) vinyl)thiophen-2-yl)acrylic acid (M8-1) in 1,4-dioxane, reaching 98.8%.
Heavy ion-induced lesions in DNA: A theoretical model for the initial induction of DNA strand breaks and chromatin breaks

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

Schmidt, J.B.

1993-01-01

A theoretical model has been developed and used to calculate yields and spatial distributions of DNA strand breaks resulting from the interactions of heavy ions with chromatin in aqueous systems. The three dimensional spatial distribution of ionizing events has been modeled for charged particles as a function of charge and velocity. Chromatin has been modeled as a 30 nm diameter solenoid of nucleosomal DNA. The Monte Carlo methods used by Chatterjee et al. have been applied to DNA in a chromatin conformation. Refinements to their methods include: a combined treatment of primary and low energy (<2 keV) secondary electron interactions,more » an improved low energy delta ray model, and the combined simulation of direct energy deposition on the DNA and attack by diffusing hydroxyl radicals. Individual particle tracks are treated independently, which is assumed to be applicable to low fluence irradiations in which multiple particle effects are negligible. Single strand break cross section [open quotes]hooks[close quotes] seen in experiments at very high LET appear to be due to the collapsing radial extent of the track, as predicted in the [open quotes]deep sieve[close quotes] hypothesis proposed by Tobias et al. Spatial distributions of lesions produced by particles have been found to depend on chromatin structure. In the future, heavy ions may be used as a tool to probe the organization of DNA in chromatin. A Neyman A-binomial variation of the [open quotes]cluster model[close quotes] for the distribution of chromatin breaks per irradiated cell has been theoretically tested. The model includes a treatment of the chromatin fragment detection technique's resolution, which places a limitation on the minimum size of fragments which can be detected. The model appears to fit some of the experimental data reasonably well. However, further experimental and theoretical refinements are desirable.« less
Dual-frequency sound-absorbing metasurface based on visco-thermal effects with frequency dependence

NASA Astrophysics Data System (ADS)

Ryoo, H.; Jeon, W.

2018-03-01

We investigate theoretically an acoustic metasurface with a high absorption coefficient at two frequencies and design it from subwavelength structures. We propose the use of a two-dimensional periodic array of four Helmholtz resonators in two types to obtain a metasurface with nearly perfect sound absorption at given target frequencies via interactions between waves emanating from different resonators. By considering how fluid viscosity affects acoustic energy dissipation in the narrow necks of the Helmholtz resonators, we obtain effective complex-valued material properties that depend on frequency and on the geometrical parameters of the resonators. We furthermore derive the effective acoustic impedance of the metasurface from the effective material properties and calculate the absorption spectra from the theoretical model, which we compare with the spectra obtained from a finite-element simulation. As a practical application of the theoretical model, we derive empirical formulas for the geometrical parameters of a metasurface which would yield perfect absorption at a given frequency. While previous works on metasurfaces based on Helmholtz resonators aimed to absorb sound at single frequencies, we use optimization to design a metasurface composed of four different Helmholtz resonators to absorb sound at two distinct frequencies.
Computational Modeling of Tissue Self-Assembly

NASA Astrophysics Data System (ADS)

Neagu, Adrian; Kosztin, Ioan; Jakab, Karoly; Barz, Bogdan; Neagu, Monica; Jamison, Richard; Forgacs, Gabor

As a theoretical framework for understanding the self-assembly of living cells into tissues, Steinberg proposed the differential adhesion hypothesis (DAH) according to which a specific cell type possesses a specific adhesion apparatus that combined with cell motility leads to cell assemblies of various cell types in the lowest adhesive energy state. Experimental and theoretical efforts of four decades turned the DAH into a fundamental principle of developmental biology that has been validated both in vitro and in vivo. Based on computational models of cell sorting, we have developed a DAH-based lattice model for tissues in interaction with their environment and simulated biological self-assembly using the Monte Carlo method. The present brief review highlights results on specific morphogenetic processes with relevance to tissue engineering applications. Our own work is presented on the background of several decades of theoretical efforts aimed to model morphogenesis in living tissues. Simulations of systems involving about 105 cells have been performed on high-end personal computers with CPU times of the order of days. Studied processes include cell sorting, cell sheet formation, and the development of endothelialized tubes from rings made of spheroids of two randomly intermixed cell types, when the medium in the interior of the tube was different from the external one. We conclude by noting that computer simulations based on mathematical models of living tissues yield useful guidelines for laboratory work and can catalyze the emergence of innovative technologies in tissue engineering.
Vapor Wall Deposition in Chambers: Theoretical Considerations

NASA Astrophysics Data System (ADS)

McVay, R.; Cappa, C. D.; Seinfeld, J.

2014-12-01

In order to constrain the effects of vapor wall deposition on measured secondary organic aerosol (SOA) yields in laboratory chambers, Zhang et al. (2014) varied the seed aerosol surface area in toluene oxidation and observed a clear increase in the SOA yield with increasing seed surface area. Using a coupled vapor-particle dynamics model, we examine the extent to which this increase is the result of vapor wall deposition versus kinetic limitations arising from imperfect accommodation of organic species into the particle phase. We show that a seed surface area dependence of the SOA yield is present only when condensation of vapors onto particles is kinetically limited. The existence of kinetic limitation can be predicted by comparing the characteristic timescales of gas-phase reaction, vapor wall deposition, and gas-particle equilibration. The gas-particle equilibration timescale depends on the gas-particle accommodation coefficient αp. Regardless of the extent of kinetic limitation, vapor wall deposition depresses the SOA yield from that in its absence since vapor molecules that might otherwise condense on particles deposit on the walls. To accurately extrapolate chamber-derived yields to atmospheric conditions, both vapor wall deposition and kinetic limitations must be taken into account.
Yield stress in amorphous solids: A mode-coupling-theory analysis

NASA Astrophysics Data System (ADS)

Ikeda, Atsushi; Berthier, Ludovic

2013-11-01

The yield stress is a defining feature of amorphous materials which is difficult to analyze theoretically, because it stems from the strongly nonlinear response of an arrested solid to an applied deformation. Mode-coupling theory predicts the flow curves of materials undergoing a glass transition and thus offers predictions for the yield stress of amorphous solids. We use this approach to analyze several classes of disordered solids, using simple models of hard-sphere glasses, soft glasses, and metallic glasses for which the mode-coupling predictions can be directly compared to the outcome of numerical measurements. The theory correctly describes the emergence of a yield stress of entropic nature in hard-sphere glasses, and its rapid growth as density approaches random close packing at qualitative level. By contrast, the emergence of solid behavior in soft and metallic glasses, which originates from direct particle interactions is not well described by the theory. We show that similar shortcomings arise in the description of the caging dynamics of the glass phase at rest. We discuss the range of applicability of mode-coupling theory to understand the yield stress and nonlinear rheology of amorphous materials.
Heavy-element yields and abundances of asymptotic giant branch models with a Small Magellanic Cloud metallicity

NASA Astrophysics Data System (ADS)

Karakas, Amanda I.; Lugaro, Maria; Carlos, Marília; Cseh, Borbála; Kamath, Devika; García-Hernández, D. A.

2018-06-01

We present new theoretical stellar yields and surface abundances for asymptotic giant branch (AGB) models with a metallicity appropriate for stars in the Small Magellanic Cloud (SMC, Z = 0.0028, [Fe/H] ≈ -0.7). New evolutionary sequences and post-processing nucleosynthesis results are presented for initial masses between 1 and 7 M⊙, where the 7 M⊙ is a super-AGB star with an O-Ne core. Models above 1.15 M⊙ become carbon rich during the AGB, and hot bottom burning begins in models M ≥ 3.75 M⊙. We present stellar surface abundances as a function of thermal pulse number for elements between C to Bi and for a selection of isotopic ratios for elements up to Fe and Ni (e.g. 12C/13C), which can be compared to observations. The integrated stellar yields are presented for each model in the grid for hydrogen, helium, and all stable elements from C to Bi. We present evolutionary sequences of intermediate-mass models between 4 and 7 M⊙ and nucleosynthesis results for three masses (M = 3.75, 5, and 7 M⊙) including s-process elements for two widely used AGB mass-loss prescriptions. We discuss our new models in the context of evolved AGB and post-AGB stars in the SMCs, barium stars in our Galaxy, the composition of Galactic globular clusters including Mg isotopes with a similar metallicity to our models, and to pre-solar grains which may have an origin in metal-poor AGB stars.
The rank correlated FSK model for prediction of gas radiation in non-uniform media, and its relationship to the rank correlated SLW model

NASA Astrophysics Data System (ADS)

Solovjov, Vladimir P.; Webb, Brent W.; Andre, Frederic

2018-07-01

Following previous theoretical development based on the assumption of a rank correlated spectrum, the Rank Correlated Full Spectrum k-distribution (RC-FSK) method is proposed. The method proves advantageous in modeling radiation transfer in high temperature gases in non-uniform media in two important ways. First, and perhaps most importantly, the method requires no specification of a reference gas thermodynamic state. Second, the spectral construction of the RC-FSK model is simpler than original correlated FSK models, requiring only two cumulative k-distributions. Further, although not exhaustive, example problems presented here suggest that the method may also yield improved accuracy relative to prior methods, and may exhibit less sensitivity to the blackbody source temperature used in the model predictions. This paper outlines the theoretical development of the RC-FSK method, comparing the spectral construction with prior correlated spectrum FSK method formulations. Further the RC-FSK model's relationship to the Rank Correlated Spectral Line Weighted-sum-of-gray-gases (RC-SLW) model is defined. The work presents predictions using the Rank Correlated FSK method and previous FSK methods in three different example problems. Line-by-line benchmark predictions are used to assess the accuracy.
A general method for calculating the optimal leaf longevity from the viewpoint of carbon economy.

PubMed

Seki, Motohide; Yoshida, Tomohiko; Takada, Takenori

2015-09-01

According to the viewpoint of the optimal strategy theory, a tree is expected to shed its leaves when they no longer contribute to maximisation of net carbon gain. Several theoretical models have been proposed in which a tree was assumed to strategically shed an old deteriorated leaf to develop a new leaf. We mathematically refined an index used in a previous theoretical model [Kikuzawa (Am Nat 138:1250-1263, 1991)] so that the index is exactly proportional to a tree's lifelong net carbon gain. We also incorporated a tree's strategy that determines the timing of leaf expansion, and examined three kinds of strategies. Specifically, we assumed that a new leaf is expanded (1) immediately after shedding of an old leaf, (2) only at the beginning of spring, or (3) immediately after shedding of an old leaf if the shedding occurs during a non-winter season and at the beginning of spring otherwise. We derived a measure of optimal leaf longevity maximising the value of an appropriate index reflecting total net carbon gain and show that use of this index yielded results that are qualitatively consistent with empirical records. The model predicted that expanding a new leaf at the beginning of spring than immediately after shedding usually yields higher carbon gain, and combined strategy of the immediate replacement and the spring flushing earned the highest gain. In addition, our numerical analyses suggested that multiple flushing seen in a few species of subtropical zones can be explained in terms of carbon economy.

Momentum transfer in relativistic heavy ion charge-exchange reactions

NASA Technical Reports Server (NTRS)

Townsend, L. W.; Wilson, J. W.; Khan, F.; Khandelwal, G. S.

1991-01-01

Relativistic heavy ion charge-exchange reactions yield fragments (Delta-Z = + 1) whose longitudinal momentum distributions are downshifted by larger values than those associated with the remaining fragments (Delta-Z = 1, -2,...). Kinematics alone cannot account for the observed downshifts; therefore, an additional contribution from collision dynamics must be included. In this work, an optical model description of collision momentum transfer is used to estimate the additional dynamical momentum downshift. Good agreement between theoretical estimates and experimental data is obtained.
Tailoring the Nanoporous Architecture of Hydrogels to Exploit Entropic Trapping

NASA Astrophysics Data System (ADS)

Shi, Nan; Ugaz, Victor M.

2010-09-01

Macromolecules embedded in a nanoporous matrix display anomalous transport behavior in the entropic trapping regime. But these phenomena have not been widely explored in hydrogel matrices because it has not been clear how to link them to the underlying heterogeneous nanopore morphology. Here we introduce a theoretical model that establishes this connection and describe microchip DNA electrophoresis experiments that demonstrate how entropic trapping effects can be exploited to yield a trend of increasing resolving power with DNA size (the opposite of what is conventionally observed).
Oscillating-Flow Regenerator Test Rig: Hardware and Theory With Derived Correlations for Screens and Felts

NASA Technical Reports Server (NTRS)

Gedeon, D.; Wood, J. G.

1996-01-01

A number of wire mesh and metal felt test samples, with a range of porosities, yield generic correlations for friction factor, Nusselt number, enhanced axial conduction ratio, and overall heat flux ratio. This information is directed primarily toward stirling cycle regenerator modelers, but will be of use to anyone seeking to better model fluid flow through these porous materials. Behind these results lies an oscillating-flow test rig, which measures pumping dissipation and thermal energy transport in sample matrices, and several stages of data-reduction software, which correlate instantaneous values for the above dimensionless groups. Within the software, theoretical model reduces instantaneous quantifies from cycle-averaged measurables using standard parameter estimation techniques.
Optimized tuner selection for engine performance estimation

NASA Technical Reports Server (NTRS)

Simon, Donald L. (Inventor); Garg, Sanjay (Inventor)

2013-01-01

A methodology for minimizing the error in on-line Kalman filter-based aircraft engine performance estimation applications is presented. This technique specifically addresses the underdetermined estimation problem, where there are more unknown parameters than available sensor measurements. A systematic approach is applied to produce a model tuning parameter vector of appropriate dimension to enable estimation by a Kalman filter, while minimizing the estimation error in the parameters of interest. Tuning parameter selection is performed using a multi-variable iterative search routine which seeks to minimize the theoretical mean-squared estimation error. Theoretical Kalman filter estimation error bias and variance values are derived at steady-state operating conditions, and the tuner selection routine is applied to minimize these values. The new methodology yields an improvement in on-line engine performance estimation accuracy.
Experimental evidence for frequency dependent self-fertilization in the gynodioecious plant, Silene vulgaris.

PubMed

Miyake, Keiko; Olson, Matthew S

2009-06-01

After over a half century of empirical and theoretical research regarding the evolution and maintenance of gynodioecy in plants, unexplored factors influencing the relative fitnesses of females and hermaphrodites remain. Theoretical studies suggest that hermaphrodite self-fertilization (selfing) rate influences the maintenance of gynodioecy and we hypothesized that population sex ratio may influence hermaphrodite selfing rate. An experimental test for frequency-dependent self-fertilization was conducted using replicated populations constructed with different sex ratios of the gynodioecious plant Silene vulgaris. We found that hermaphrodite selfing increased with decreased hermaphrodite frequency, whereas evidence for increased inbreeding depression was equivocal. We argue that incorporation of context dependent inbreeding into future models of the evolution of gynodioecy is likely to yield novel insights into sex ratio evolution.
Metallic Properties of the Si(111) - 5 × 2 - Au Surface from Infrared Plasmon Polaritons and Ab Initio Theory.

PubMed

Hötzel, Fabian; Seino, Kaori; Huck, Christian; Skibbe, Olaf; Bechstedt, Friedhelm; Pucci, Annemarie

2015-06-10

The metal-atom chains on the Si(111) - 5 × 2 - Au surface represent an exceedingly interesting system for the understanding of one-dimensional electrical interconnects. While other metal-atom chain structures on silicon suffer from metal-to-insulator transitions, Si(111) - 5 × 2 - Au stays metallic at least down to 20 K as we have proven by the anisotropic absorption from localized plasmon polaritons in the infrared. A quantitative analysis of the infrared plasmonic signal done here for the first time yields valuable band structure information in agreement with the theoretically derived data. The experimental and theoretical results are consistently explained in the framework of the atomic geometry, electronic structure, and IR spectra of the recent Kwon-Kang model.
The temperatures, abundances and gravities of F dwarf stars.

NASA Technical Reports Server (NTRS)

Bell, R. A.

1971-01-01

Theoretical colors computed from laboratory line data and from model stellar atmospheres have been used to interpret the colors of about 150 F and early G dwarfs. Effective temperatures have been derived from the H-beta index and from R-I, abundances have been obtained from m(sub 1) and from b-y, and gravities have been obtained from c(sub 1) and from b-y. The effective temperatures and gravities are in good agreement with values obtained from spectral scans. Absolute magnitudes have been obtained from the effective temperatures and gravities, the latter being used with assumed stellar masses to yield radii. The present results provide theoretical justification of the empirical formulas given by Crawford and by Stroemgren for the determination of absolute magnitudes and abundances from uvby photometry.
Contribution of indirect effects to clustered damage in DNA irradiated with protons.

PubMed

Pachnerová Brabcová, K; Štěpán, V; Karamitros, M; Karabín, M; Dostálek, P; Incerti, S; Davídková, M; Sihver, L

2015-09-01

Protons are the dominant particles both in galactic cosmic rays and in solar particle events and, furthermore, proton irradiation becomes increasingly used in tumour treatment. It is believed that complex DNA damage is the determining factor for the consequent cellular response to radiation. DNA plasmid pBR322 was irradiated at U120-M cyclotron with 30 MeV protons and treated with two Escherichia coli base excision repair enzymes. The yields of SSBs and DSBs were analysed using agarose gel electrophoresis. DNA has been irradiated in the presence of hydroxyl radical scavenger (coumarin-3-carboxylic acid) in order to distinguish between direct and indirect damage of the biological target. Pure scavenger solution was used as a probe for measurement of induced OH· radical yields. Experimental OH· radical yield kinetics was compared with predictions computed by two theoretical models-RADAMOL and Geant4-DNA. Both approaches use Geant4-DNA for description of physical stages of radiation action, and then each of them applies a distinct model for description of the pre-chemical and chemical stage. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.
Effects of Different Cutting Patterns and Experimental Conditions on the Performance of a Conical Drag Tool

NASA Astrophysics Data System (ADS)

Copur, Hanifi; Bilgin, Nuh; Balci, Cemal; Tumac, Deniz; Avunduk, Emre

2017-06-01

This study aims at determining the effects of single-, double-, and triple-spiral cutting patterns; the effects of tool cutting speeds on the experimental scale; and the effects of the method of yield estimation on cutting performance by performing a set of full-scale linear cutting tests with a conical cutting tool. The average and maximum normal, cutting and side forces; specific energy; yield; and coarseness index are measured and compared in each cutting pattern at a 25-mm line spacing, at varying depths of cut per revolution, and using two cutting speeds on five different rock samples. The results indicate that the optimum specific energy decreases by approximately 25% with an increasing number of spirals from the single- to the double-spiral cutting pattern for the hard rocks, whereas generally little effect was observed for the soft- and medium-strength rocks. The double-spiral cutting pattern appeared to be more effective than the single- or triple-spiral cutting pattern and had an advantage of lower side forces. The tool cutting speed had no apparent effect on the cutting performance. The estimation of the specific energy by the yield based on the theoretical swept area was not significantly different from that estimated by the yield based on the muck weighing, especially for the double- and triple-spiral cutting patterns and with the optimum ratio of line spacing to depth of cut per revolution. This study also demonstrated that the cutterhead and mechanical miner designs, semi-theoretical deterministic computer simulations and empirical performance predictions and optimization models should be based on realistic experimental simulations. Studies should be continued to obtain more reliable results by creating a larger database of laboratory tests and field performance records for mechanical miners using drag tools.
Comparative study of viscoelastic properties using virgin yogurt

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

Dimonte, G.; Nelson, D.; Weaver, S.

We describe six different tests used to obtain a consistent set of viscoelastic properties for yogurt. Prior to yield, the shear modulus {mu} and viscosity {eta} are measured nondestructively using the speed and damping of elastic waves. Although new to foodstuffs, this technique has been applied to diverse materials from metals to the earth{close_quote}s crust. The resultant shear modulus agrees with {mu}{approximately}E/3 for incompressible materials, where the Young{close_quote}s modulus E is obtained from a stress{endash}strain curve in compression. The tensile yield stress {tau}{sub o} is measured in compression and tension, with good agreement. The conventional vane and cone/plate rheometers measuredmore » a shear stress yield {tau}{sub os}{approximately}{tau}{sub o}/{radical} (3) , as expected theoretically, but the inferred {open_quotes}apparent{close_quotes} viscosity from the cone/plate rheometer is much larger than the wave measurement due to the finite yield ({tau}{sub os}{ne}0). Finally, we inverted an open container of yogurt for 10{sup 6} s{gt}{eta}/{mu} and observed no motion. This demonstrates unequivocally that yogurt possesses a finite yield stress rather than a large viscosity. We present a constitutive model with a pre-yield viscosity to describe the damping of the elastic waves and use a simulation code to describe yielding in complex geometry. {copyright} {ital 1998 Society of Rheology.}« less
Stock price dynamics and option valuations under volatility feedback effect

NASA Astrophysics Data System (ADS)

Kanniainen, Juho; Piché, Robert

2013-02-01

According to the volatility feedback effect, an unexpected increase in squared volatility leads to an immediate decline in the price-dividend ratio. In this paper, we consider the properties of stock price dynamics and option valuations under the volatility feedback effect by modeling the joint dynamics of stock price, dividends, and volatility in continuous time. Most importantly, our model predicts the negative effect of an increase in squared return volatility on the value of deep-in-the-money call options and, furthermore, attempts to explain the volatility puzzle. We theoretically demonstrate a mechanism by which the market price of diffusion return risk, or an equity risk-premium, affects option prices and empirically illustrate how to identify that mechanism using forward-looking information on option contracts. Our theoretical and empirical results support the relevance of the volatility feedback effect. Overall, the results indicate that the prevailing practice of ignoring the time-varying dividend yield in option pricing can lead to oversimplification of the stock market dynamics.
The Influence of Soft Layer Electrokinetics on Electroporation of Gram-positive Bacteria

NASA Astrophysics Data System (ADS)

Dingari, Naga Neehar; Moran, Jeffrey L.; Garcia, Paulo A.; Buie, Cullen R.

2016-11-01

Bacterial electroporation involves subjecting cells to intense ( 10 kV/cm) electric pulses, to open pores on the cell membrane for intracellular delivery of exogenous molecules. Its high efficiency in genetic transformation makes it an attractive tool for synthetic biology. While mammalian cell electroporation has received extensive theoretical and experimental investigation, bacterial electroporation has received markedly less attention. In this work, we develop a theoretical model of electroporation for gram-positive bacteria, taking into account the effect of the bacterial cell envelope on the cell's response to an electroporation pulse. We model the influence of the cell wall charge on the electrokinetic transport (and hence the pore properties) around the bacterial cell envelope using the Poisson-Nernst-Planck equations. Further, we account for the influence of the cell wall's mechanical elasticity on the pore radius evolution during electroporation, which is typically neglected in mammalian cell electroporation. This yields valuable information about favorable conditions for pore formation and will enable designing optimal platforms for bacteria electroporation.
Light ion components of the galactic cosmic rays: Nuclear interactions and transport theory

NASA Technical Reports Server (NTRS)

Cucinotta, F. A.; Townsend, L. W.; Wilson, J. W.; Shinn, J. L.; Badhwar, G. D.; Dubey, R. R.

1996-01-01

Light nuclei are present in the primary galactic cosmic rays (GCR) and are produced in thick targets due to projectile or target fragmentation from both nucleon and heavy induced reactions. In the primary GCR, He-4 is the most abundant nucleus after H-1. However, there are also a substantial fluxes of H-2 and He-3. In this paper we describe theoretical models based on quantum multiple scattering theory for the description of light ion nuclear interactions. The energy dependence of the light ion fragmentation cross section is considered with comparisons of inclusive yields and secondary momentum distributions to experiments described. We also analyze the importance of a fast component of lights ions from proton and neutron induced target fragementation. These theoretical models have been incorporated into the cosmic ray transport code HZETRN and will be used to analyze the role of shielding materials in modulating the production and the energy spectrum of light ions.
Instabilities and patterns in an active nematic film

NASA Astrophysics Data System (ADS)

Srivastava, Pragya; Marchetti, Cristina

2015-03-01

Experiments on microtubule bundles confined to an oil-water interface have motivated extensive theoretical studies of two-dimensional active nematics. Theoretical models taking into account the interplay between activity, flow and order have remarkably reproduced several experimentally observed features of the defect-dynamics in these ``living'' nematics. Here, we derive minimal description of a two-dimensional active nematic film confined between walls. At high friction, we eliminate the flow to obtain closed equations for the nematic order parameter, with renormalized Frank elastic constants. Active processes can render the ``Frank'' constants negative, resulting in the instability of the uniformly ordered nematic state. The minimal model yields emergent patterns of growing complexity with increasing activity, including bands and turbulent dynamics with a steady density of topological defects, as obtained with the full hydrodynamic equations. We report on the scaling of the length scales of these patterns and of the steady state number of defects with activity and system size. National Science Foundation grant DMR-1305184 and Syracuse Soft Matter Program.
A theoretical model for the production of Ac-225 for cancer therapy by neutron capture transmutation of Ra-226.

PubMed

Melville, G; Melville, P

2013-02-01

Radium needles that were once implanted into tumours as a cancer treatment are now obsolete and constitute a radioactive waste problem, as their half-life is 1600 years. We are investigating the reduction of radium by transmutation by bombarding Ra-226 with high-energy neutrons from a neutron source to produce Ra-225 and hence Ac-225, which can be used as a generator to produce Bi-213 for use in 'Targeted Alpha Therapy' for cancer. This paper examines the possibility of producing Ac-225 by neutron capture using a theoretical model in which neutron energy is convoluted with the corresponding neutron cross sections of Ra-226. The total integrated yield can then be obtained. This study shows that an intense beam of high-energy neutrons could initiate neutron capture on Ra-226 to produce Ra-225 and hence practical amounts of Ac-225 and a useful reduction of Ra-226. Copyright © 2012 Elsevier Ltd. All rights reserved.
Photoelectric Effect: Back to Basics.

ERIC Educational Resources Information Center

Powell, R. A.

1978-01-01

Presents a simplified theoretical analysis of the variation of quantum yield with photon energy in the photoelectric experiment. Describes a way to amplify the experiment and make it more instructive to advanced students through the measurement of quantum yield of a photo cell. (GA)
Investigating Differences in Gas-Phase Conformations of 25-Hydroxyvitamin D3 Sodiated Epimers using Ion Mobility-Mass Spectrometry and Theoretical Modeling

NASA Astrophysics Data System (ADS)

Chouinard, Christopher D.; Cruzeiro, Vinícius Wilian D.; Beekman, Christopher R.; Roitberg, Adrian E.; Yost, Richard A.

2017-08-01

Drift tube ion mobility coupled with mass spectrometry was used to investigate the gas-phase structure of 25-hydroxyvitamin D3 (25OHD3) and D2 (25OHD2) epimers, and to evaluate its potential in rapid separation of these compounds. Experimental results revealed two distinct drift species for the 25OHD3 sodiated monomer, whereas only one of these conformations was observed for its epimer (epi25OHD3). The unique species allowed 25OHD3 to be readily distinguished, and the same pattern was observed for 25OHD2 epimers. Theoretical modeling of 25OHD3 epimers identified energetically stable gas-phase structures, indicating that both compounds may adopt a compact "closed" conformation, but that 25OHD3 may also adopt a slightly less energetically favorable "open" conformation that is not accessible to its epimer. Calculated theoretical collision cross-sections for these structures agreed with experimental results to <2%. Experimentation indicated that additional energy in the ESI source (i.e., increased temperature, spray voltage) affected the ratio of 25OHD3 conformations, with the less energetically favorable "open" conformation increasing in relative intensity. Finally, LC-IM-MS results yielded linear quantitation of 25OHD3, in the presence of the epimer interference, at biologically relevant concentrations. This study demonstrates that ion mobility can be used in tandem with theoretical modeling to determine structural differences that contribute to drift separation. These separation capabilities provide potential for rapid (<60 ms) identification of 25OHD3 and 25OHD2 in mixtures with their epimers.
J/ψ suppression at forward rapidity in Au + Au collisions at sNN=39 and 62.4 GeV

NASA Astrophysics Data System (ADS)

Adare, A.; Aidala, C.; Ajitanand, N. N.; Akiba, Y.; Akimoto, R.; Al-Ta'ani, H.; Alexander, J.; Angerami, A.; Aoki, K.; Apadula, N.; Aramaki, Y.; Asano, H.; Aschenauer, E. C.; Atomssa, E. T.; Awes, T. C.; Azmoun, B.; Babintsev, V.; Bai, M.; Bannier, B.; Barish, K. N.; Bassalleck, B.; Bathe, S.; Baublis, V.; Baumgart, S.; Bazilevsky, A.; Belmont, R.; Berdnikov, A.; Berdnikov, Y.; Bing, X.; Blau, D. S.; Boyle, K.; Brooks, M. L.; Buesching, H.; Bumazhnov, V.; Butsyk, S.; Campbell, S.; Castera, P.; Chen, C.-H.; Chi, C. Y.; Chiu, M.; Choi, I. J.; Choi, J. B.; Choi, S.; Choudhury, R. K.; Christiansen, P.; Chujo, T.; Chvala, O.; Cianciolo, V.; Citron, Z.; Cole, B. A.; Connors, M.; Csanád, M.; Csörgő, T.; Dairaku, S.; Datta, A.; Daugherity, M. S.; David, G.; Denisov, A.; Deshpande, A.; Desmond, E. J.; Dharmawardane, K. V.; Dietzsch, O.; Ding, L.; Dion, A.; Donadelli, M.; Drapier, O.; Drees, A.; Drees, K. A.; Durham, J. M.; Durum, A.; D'Orazio, L.; Edwards, S.; Efremenko, Y. V.; Engelmore, T.; Enokizono, A.; Esumi, S.; Eyser, K. O.; Fadem, B.; Fields, D. E.; Finger, M.; Finger, M., Jr.; Fleuret, F.; Fokin, S. L.; Frantz, J. E.; Franz, A.; Frawley, A. D.; Fukao, Y.; Fusayasu, T.; Gainey, K.; Gal, C.; Garishvili, A.; Garishvili, I.; Glenn, A.; Gong, X.; Gonin, M.; Goto, Y.; Granier de Cassagnac, R.; Grau, N.; Greene, S. V.; Grosse Perdekamp, M.; Gunji, T.; Guo, L.; Gustafsson, H.-Å.; Hachiya, T.; Haggerty, J. S.; Hahn, K. I.; Hamagaki, H.; Hanks, J.; Hashimoto, K.; Haslum, E.; Hayano, R.; He, X.; Hemmick, T. K.; Hester, T.; Hill, J. C.; Hollis, R. S.; Homma, K.; Hong, B.; Horaguchi, T.; Hori, Y.; Huang, S.; Ichihara, T.; Iinuma, H.; Ikeda, Y.; Imrek, J.; Inaba, M.; Iordanova, A.; Isenhower, D.; Issah, M.; Ivanischev, D.; Jacak, B. V.; Javani, M.; Jia, J.; Jiang, X.; Johnson, B. M.; Joo, K. S.; Jouan, D.; Kamin, J.; Kaneti, S.; Kang, B. H.; Kang, J. H.; Kang, J. S.; Kapustinsky, J.; Karatsu, K.; Kasai, M.; Kawall, D.; Kazantsev, A. V.; Kempel, T.; Khanzadeev, A.; Kijima, K. M.; Kim, B. I.; Kim, C.; Kim, D. J.; Kim, E.-J.; Kim, H. J.; Kim, K.-B.; Kim, Y.-J.; Kim, Y. K.; Kinney, E.; Kiss, Á.; Kistenev, E.; Klatsky, J.; Kleinjan, D.; Kline, P.; Komatsu, Y.; Komkov, B.; Koster, J.; Kotchetkov, D.; Kotov, D.; Král, A.; Krizek, F.; Kunde, G. J.; Kurita, K.; Kurosawa, M.; Kwon, Y.; Kyle, G. S.; Lacey, R.; Lai, Y. S.; Lajoie, J. G.; Lebedev, A.; Lee, B.; Lee, D. M.; Lee, J.; Lee, K. B.; Lee, K. S.; Lee, S. H.; Lee, S. R.; Leitch, M. J.; Leite, M. A. L.; Leitgab, M.; Lewis, B.; Lim, S. H.; Linden Levy, L. A.; Liu, M. X.; Love, B.; Maguire, C. F.; Makdisi, Y. I.; Makek, M.; Manion, A.; Manko, V. I.; Mannel, E.; Masumoto, S.; McCumber, M.; McGaughey, P. L.; McGlinchey, D.; McKinney, C.; Mendoza, M.; Meredith, B.; Miake, Y.; Mibe, T.; Mignerey, A. C.; Milov, A.; Mishra, D. K.; Mitchell, J. T.; Miyachi, Y.; Miyasaka, S.; Mohanty, A. K.; Moon, H. J.; Morrison, D. P.; Motschwiller, S.; Moukhanova, T. V.; Murakami, T.; Murata, J.; Nagae, T.; Nagamiya, S.; Nagle, J. L.; Nagy, M. I.; Nakagawa, I.; Nakamiya, Y.; Nakamura, K. R.; Nakamura, T.; Nakano, K.; Nattrass, C.; Nederlof, A.; Nihashi, M.; Nouicer, R.; Novitzky, N.; Nyanin, A. S.; O'Brien, E.; Ogilvie, C. A.; Okada, K.; Oskarsson, A.; Ouchida, M.; Ozawa, K.; Pak, R.; Pantuev, V.; Papavassiliou, V.; Park, B. H.; Park, I. H.; Park, S. K.; Pate, S. F.; Patel, L.; Pei, H.; Peng, J.-C.; Pereira, H.; Peressounko, D. Yu.; Petti, R.; Pinkenburg, C.; Pisani, R. P.; Proissl, M.; Purschke, M. L.; Qu, H.; Rak, J.; Ravinovich, I.; Read, K. F.; Reynolds, R.; Riabov, V.; Riabov, Y.; Richardson, E.; Roach, D.; Roche, G.; Rolnick, S. D.; Rosati, M.; Sahlmueller, B.; Saito, N.; Sakaguchi, T.; Samsonov, V.; Sano, M.; Sarsour, M.; Sawada, S.; Sedgwick, K.; Seidl, R.; Sen, A.; Seto, R.; Sharma, D.; Shein, I.; Shibata, T.-A.; Shigaki, K.; Shimomura, M.; Shoji, K.; Shukla, P.; Sickles, A.; Silva, C. L.; Silvermyr, D.; Sim, K. S.; Singh, B. K.; Singh, C. P.; Singh, V.; Slunečka, M.; Soltz, R. A.; Sondheim, W. E.; Sorensen, S. P.; Soumya, M.; Sourikova, I. V.; Stankus, P. W.; Stenlund, E.; Stepanov, M.; Ster, A.; Stoll, S. P.; Sugitate, T.; Sukhanov, A.; Sun, J.; Sziklai, J.; Takagui, E. M.; Takahara, A.; Taketani, A.; Tanaka, Y.; Taneja, S.; Tanida, K.; Tannenbaum, M. J.; Tarafdar, S.; Taranenko, A.; Tennant, E.; Themann, H.; Todoroki, T.; Tomášek, L.; Tomášek, M.; Torii, H.; Towell, R. S.; Tserruya, I.; Tsuchimoto, Y.; Tsuji, T.; Vale, C.; van Hecke, H. W.; Vargyas, M.; Vazquez-Zambrano, E.; Veicht, A.; Velkovska, J.; Vértesi, R.; Virius, M.; Vossen, A.; Vrba, V.; Vznuzdaev, E.; Wang, X. R.; Watanabe, D.; Watanabe, K.; Watanabe, Y.; Watanabe, Y. S.; Wei, F.; Wei, R.; White, S. N.; Winter, D.; Wolin, S.; Woody, C. L.; Wysocki, M.; Yamaguchi, Y. L.; Yang, R.; Yanovich, A.; Ying, J.; Yokkaichi, S.; You, Z.; Younus, I.; Yushmanov, I. E.; Zajc, W. A.; Zelenski, A.

2012-12-01

We present measurements of the J/ψ invariant yields in sNN=39 and 62.4 GeV Au + Au collisions at forward rapidity (1.2<|y|<2.2). Invariant yields are presented as a function of both collision centrality and transverse momentum. Nuclear modifications are obtained for central relative to peripheral Au + Au collisions (RCP) and for various centrality selections in Au + Au relative to scaled p + p cross sections obtained from other measurements (RAA). The observed suppression patterns at 39 and 62.4 GeV are quite similar to those previously measured at 200 GeV. This similar suppression presents a challenge to theoretical models that contain various competing mechanisms with different energy dependencies, some of which cause suppression and others enhancement.
Ductile fracture of cylindrical vessels containing a large flaw

NASA Technical Reports Server (NTRS)

Erdogan, F.; Irwin, G. R.; Ratwani, M.

1976-01-01

The fracture process in pressurized cylindrical vessels containing a relatively large flaw is considered. The flaw is assumed to be a part-through or through meridional crack. The flaw geometry, the yield behavior of the material, and the internal pressure are assumed to be such that in the neighborhood of the flaw the cylinder wall undergoes large-scale plastic deformations. Thus, the problem falls outside the range of applicability of conventional brittle fracture theories. To study the problem, plasticity considerations are introduced into the shell theory through the assumptions of fully-yielded net ligaments using a plastic strip model. Then a ductile fracture criterion is developed which is based on the concept of net ligament plastic instability. A limited verification is attempted by comparing the theoretical predictions with some existing experimental results.
Role of interfaces in deformation and fracture of ordered intermetallics

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

Yoo, M.H.; Fu, C.L.

1996-12-31

While sub- and grain-boundaries are the primary dislocation sources in Ll{sub 2} alloys, yield and flow stresses are strongly influenced by the multiplication and exhaustion of mobile dislocations from the secondary sources. The concept of enhanced microplasticity at grain boundaries due to chemical disordering is well supported by theoretical modeling, but no conclusive direct evidence exist for Ni{sub 3}Al bicrystals. The strong plastic anisotropy reported in TiAl PST (polysynthetically twinned) crystals is attributed in part to localized slip along lamellar interfaces, thus lowering the yield stress for soft orientations. Calculations of work of adhesion suggest that, intrinsically, interfacial cracking ismore » more likely to initiate on {gamma}/{gamma}-type interfaces than on the {alpha}{sub 2}/{gamma} boundary. 70 refs, 5 tabs, 5 figs.« less

Absorption of visible radiation in atmosphere containing mixtures of absorbing and nonabsorbing particles

NASA Technical Reports Server (NTRS)

Ackerman, T. P.; Toon, O. B.

1981-01-01

The presence of a strongly absorbing material, tentatively identified as graphitic carbon, or 'soot', is indicated by measurements of single-scattering albedo of tropospheric aerosols. Although theoretical calculations based on models of the ways in which soot may mix with other aerosol materials yield the single-scattering albedo values of 0.6, accounted for by a minimum 20% soot by volume, in urban regions and 0.8, yielded by 1-5% soot by volume, in rural settings, it is found that these same values can be produced by similar amounts of the iron oxide magnetite. Magnetite is shown to be indistinguishable from soot by optical measurements performed on bulk samples, and calculation of various mixtures of soot indicate the difficulty of determining aerosol composition by optical scattering techniques.
Sensor-based monitoring and inspection of surface morphology in ultraprecision manufacturing processes

NASA Astrophysics Data System (ADS)

Rao, Prahalad Krishna

This research proposes approaches for monitoring and inspection of surface morphology with respect to two ultraprecision/nanomanufacturing processes, namely, ultraprecision machining (UPM) and chemical mechanical planarization (CMP). The methods illustrated in this dissertation are motivated from the compelling need for in situ process monitoring in nanomanufacturing and invoke concepts from diverse scientific backgrounds, such as artificial neural networks, Bayesian learning, and algebraic graph theory. From an engineering perspective, this work has the following contributions: 1. A combined neural network and Bayesian learning approach for early detection of UPM process anomalies by integrating data from multiple heterogeneous in situ sensors (force, vibration, and acoustic emission) is developed. The approach captures process drifts in UPM of aluminum 6061 discs within 15 milliseconds of their inception and is therefore valuable for minimizing yield losses. 2. CMP process dynamics are mathematically represented using a deterministic multi-scale hierarchical nonlinear differential equation model. This process-machine inter-action (PMI) model is evocative of the various physio-mechanical aspects in CMP and closely emulates experimentally acquired vibration signal patterns, including complex nonlinear dynamics manifest in the process. By combining the PMI model predictions with features gathered from wirelessly acquired CMP vibration signal patterns, CMP process anomalies, such as pad wear, and drifts in polishing were identified in their nascent stage with high fidelity (R2 ~ 75%). 3. An algebraic graph theoretic approach for quantifying nano-surface morphology from optical micrograph images is developed. The approach enables a parsimonious representation of the topological relationships between heterogeneous nano-surface fea-tures, which are enshrined in graph theoretic entities, namely, the similarity, degree, and Laplacian matrices. Topological invariant measures (e.g., Fiedler number, Kirchoff index) extracted from these matrices are shown to be sensitive to evolving nano-surface morphology. For instance, we observed that prominent nanoscale morphological changes on CMP processed Cu wafers, although discernible visually, could not be tractably quantified using statistical metrology parameters, such as arithmetic average roughness (Sa), root mean square roughness (Sq), etc. In contrast, CMP induced nanoscale surface variations were captured on invoking graph theoretic topological invariants. Consequently, the graph theoretic approach can enable timely, non-contact, and in situ metrology of semiconductor wafers by obviating the need for reticent profile mapping techniques (e.g., AFM, SEM, etc.), and thereby prevent the propagation of yield losses over long production runs.
Theoretical and measured electric field distributions within an annular phased array: consideration of source antennas.

PubMed

Zhang, Y; Joines, W T; Jirtle, R L; Samulski, T V

1993-08-01

The magnitude of E-field patterns generated by an annular array prototype device has been calculated and measured. Two models were used to describe the radiating sources: a simple linear dipole and a stripline antenna model. The stripline model includes detailed geometry of the actual antennas used in the prototype and an estimate of the antenna current based on microstrip transmission line theory. This more detailed model yields better agreement with the measured field patterns, reducing the rms discrepancy by a factor of about 6 (from approximately 23 to 4%) in the central region of interest where the SEM is within 25% of the maximum. We conclude that accurate modeling of source current distributions is important for determining SEM distributions associated with such heating devices.
Relationships of the phase velocity with the microarchitectural parameters in bovine trabecular bone in vitro: Application of a stratified model

NASA Astrophysics Data System (ADS)

Lee, Kang Il

2012-08-01

The present study aims to provide insight into the relationships of the phase velocity with the microarchitectural parameters in bovine trabecular bone in vitro. The frequency-dependent phase velocity was measured in 22 bovine femoral trabecular bone samples by using a pair of transducers with a diameter of 25.4 mm and a center frequency of 0.5 MHz. The phase velocity exhibited positive correlation coefficients of 0.48 and 0.32 with the ratio of bone volume to total volume and the trabecular thickness, respectively, but a negative correlation coefficient of -0.62 with the trabecular separation. The best univariate predictor of the phase velocity was the trabecular separation, yielding an adjusted squared correlation coefficient of 0.36. The multivariate regression models yielded adjusted squared correlation coefficients of 0.21-0.36. The theoretical phase velocity predicted by using a stratified model for wave propagation in periodically stratified media consisting of alternating parallel solid-fluid layers showed reasonable agreements with the experimental measurements.
Development of an ultrasonic shear reflection technique to monitor the crystallization of cocoa butter.

PubMed

Rigolle, Annelien; Foubert, Imogen; Hettler, Jan; Verboven, Erik; Demuynck, Ruth; Van Den Abeele, Koen

2015-09-01

The quasi-isothermal crystallization process of cocoa butter was monitored by an ultrasonic shear reflection technique utilizing a custom-built experimental set-up in a temperature controlled environment. To facilitate the interpretation of the measurement results, the propagation of shear waves was first theoretically studied in different configurations of gas, liquid or solid layers with varying thickness for the case of normal incidence, yielding theoretical equations of the shear wave reflection coefficient (swRC) for different layering conditions. The typical experimentally observed pattern of the swRC during quasi-isothermal cocoa butter crystallization was subsequently linked to the theoretical equations. The remarkable oscillatory damped response in the swRC as function of the crystallization time could be explained by constructive and destructive interference of a first reflection at the boundary between a plexiglass delay line and the crystallized cocoa butter and a second reflection occurring at the interface between crystallized and liquid substance. This hypothesis was supported by the excitation frequency dependence of the oscillations. The quality of the fit of the theoretical model to the experimental results was very good and also the reproducibility between different independent measurements was acceptable. Finally, measurements at different temperatures (18°C and 20°C) suggested that the technique was able to detect differences in crystallization behavior, as measurements at 18°C displayed faster oscillations compared to measurements at 20°C. Moreover, this was also confirmed by the theoretical model, as a higher value of the crystallization rate parameter K, exhibited more rapid oscillations. Copyright © 2015 Elsevier Ltd. All rights reserved.
(I Can't Get No) Saturation: A simulation and guidelines for sample sizes in qualitative research.

PubMed

van Rijnsoever, Frank J

2017-01-01

I explore the sample size in qualitative research that is required to reach theoretical saturation. I conceptualize a population as consisting of sub-populations that contain different types of information sources that hold a number of codes. Theoretical saturation is reached after all the codes in the population have been observed once in the sample. I delineate three different scenarios to sample information sources: "random chance," which is based on probability sampling, "minimal information," which yields at least one new code per sampling step, and "maximum information," which yields the largest number of new codes per sampling step. Next, I use simulations to assess the minimum sample size for each scenario for systematically varying hypothetical populations. I show that theoretical saturation is more dependent on the mean probability of observing codes than on the number of codes in a population. Moreover, the minimal and maximal information scenarios are significantly more efficient than random chance, but yield fewer repetitions per code to validate the findings. I formulate guidelines for purposive sampling and recommend that researchers follow a minimum information scenario.
Theoretical and experimental determination of L -shell decay rates, line widths, and fluorescence yields in Ge

NASA Astrophysics Data System (ADS)

Guerra, M.; Sampaio, J. M.; Madeira, T. I.; Parente, F.; Indelicato, P.; Marques, J. P.; Santos, J. P.; Hoszowska, J.; Dousse, J.-Cl.; Loperetti, L.; Zeeshan, F.; Müller, M.; Unterumsberger, R.; Beckhoff, B.

2015-08-01

Fluorescence yields (FYs) for the Ge L shell were determined by a theoretical and two experimental groups within the framework of the International Initiative on X-Ray Fundamental Parameters Collaboration. Calculations were performed using the Dirac-Fock method, including relativistic and QED corrections. The experimental value of the L3FY ωL 3 was determined at the Physikalisch-Technische Bundesanstalt undulator beamline of the synchrotron radiation facility BESSY II in Berlin, Germany, and the L α1 ,2 and L β1 line widths were measured at the Swiss Light Source, Paul Scherrer Institute, Switzerland, using monochromatized synchrotron radiation and a von Hamos x-ray crystal spectrometer. The measured fluorescence yields and line widths are compared to the corresponding calculated values.
Production of inclusive Υ(1S) and Υ(2S) in p–Pb collisions at s NN = 5.02 TeV

DOE PAGES

Abelev, B.

2014-11-22

We report on the production of inclusive Υ(1S) and Υ(2S) in p–Pb collisions at √ SNN = 5.02 TeV at the LHC. The measurement is performed with the ALICE detector at backward (-4.46 < y cms < -2.96) and forward (2.03 < y cms < 3.53) rapidity down to zero transverse momentum. The production cross sections of the Υ(1S) and Υ(2S) are presented, as well as the nuclear modification factor and the ratio of the forward to backward yields of Υ(1S). A suppression of the inclusive Υ(1S) yield in p–Pb collisions with respect to the yield from pp collisions scaledmore » by the number of binary nucleon–nucleon collisions is observed at forward rapidity but not at backward rapidity. Finally, the results are compared to theoretical model calculations including nuclear shadowing or partonic energy loss effects.« less
Manganese in Dwarf Galaxies as a Probe of Type Ia Supernovae

NASA Astrophysics Data System (ADS)

De Los Reyes, Mithi; Kirby, Evan N.

2018-06-01

Despite the importance of thermonuclear or Type Ia supernovae (SNe) as standard candles in astrophysics, the physical mechanisms behind Type Ia SNe are still poorly constrained. Theoretically, the nucleosynthetic yields from Type Ia SNe can distinguish among different models of Type Ia explosions. For example, neutron-rich elements such as manganese (Mn) are sensitive probes of the physics of Type Ia SNe because their abundances are correlated to the density of the progenitor white dwarf. Since dwarf galaxies' chemical evolution is dominated by Type Ia SNe at late times, Type Ia nucleosynthetic yields can be indirectly inferred from stellar abundances in dwarf galaxies. However, previous measurements of Mn in dwarf galaxies are too incomplete to draw definitive conclusions on the Type Ia explosion mechanism. In this work, we therefore use medium-resolution stellar spectroscopy from Keck/DEIMOS to measure Mn abundances in red giants in several Milky Way satellite galaxies. We report average Type Ia Mn yields computed from these abundances, and we discuss the implications for Type Ia supernova physics.
Prediction of explosive yield and other characteristics of liquid rocket propellant explosions

NASA Technical Reports Server (NTRS)

Farber, E. A.; Smith, J. H.; Watts, E. H.

1973-01-01

Work which has been done at the University of Florida in arriving at credible explosive yield values for liquid rocket propellants is presented. The results are based upon logical methods which have been well worked out theoretically and verified through experimental procedures. Three independent methods to predict explosive yield values for liquid rocket propellants are described. All three give the same end result even though they utilize different parameters and procedures. They are: (1) mathematical model; (2) seven chart approach; and (3) critical mass method. A brief description of the methods, how they were derived, how they were applied, and the results which they produced are given. The experimental work used to support and verify the above methods both in the laboratory and in the field with actually explosive mixtures are presented. The methods developed are used and their value demonstrated in analyzing real problems, among them the destruct system of the Saturn 5, and the early configurations of the space shuttle.
Theoretical nuclear physics

NASA Astrophysics Data System (ADS)

Rost, E.; Shephard, J. R.

1992-08-01

This report discusses the following topics: Exact 1-loop vacuum polarization effects in 1 + 1 dimensional QHD; exact 1-fermion loop contributions in 1 + 1 dimensional solitons; exact scalar 1-loop contributions in 1 + 3 dimensions; exact vacuum calculations in a hyper-spherical basis; relativistic nuclear matter with self-consistent correlation energy; consistent RHA-RPA for finite nuclei; transverse response functions in the (triangle)-resonance region; hadronic matter in a nontopological soliton model; scalar and vector contributions to (bar p)p yields (bar lambda)lambda reaction; 0+ and 2+ strengths in pion double-charge exchange to double giant-dipole resonances; and nucleons in a hybrid sigma model including a quantized pion field.
Directional x-ray dark-field imaging of strongly ordered systems

NASA Astrophysics Data System (ADS)

Jensen, Torben Haugaard; Bech, Martin; Zanette, Irene; Weitkamp, Timm; David, Christian; Deyhle, Hans; Rutishauser, Simon; Reznikova, Elena; Mohr, Jürgen; Feidenhans'L, Robert; Pfeiffer, Franz

2010-12-01

Recently a novel grating based x-ray imaging approach called directional x-ray dark-field imaging was introduced. Directional x-ray dark-field imaging yields information about the local texture of structures smaller than the pixel size of the imaging system. In this work we extend the theoretical description and data processing schemes for directional dark-field imaging to strongly scattering systems, which could not be described previously. We develop a simple scattering model to account for these recent observations and subsequently demonstrate the model using experimental data. The experimental data includes directional dark-field images of polypropylene fibers and a human tooth slice.
Development and Application of Low Energy X-Ray and Electron Physics.

DTIC Science & Technology

1981-01-01

measured and theoretical photoionization cross section data (including those measured in this laboratory). In 1975, a detailed set of tables of these...available reported (to 1980) experimental and theoretical photoionization cross section data have been compiled and reviewed particularly for the low energy...orbital dimensions, the current theoretical partial photoionization cross section calculations have been applied to yield oscillator densities which permit
The Prolate Dark Matter Halo of the Andromeda Galaxy

NASA Astrophysics Data System (ADS)

Hayashi, Kohei; Chiba, Masashi

2014-07-01

We present new limits on the global shape of the dark matter halo in the Andromeda galaxy using and generalizing non-spherical mass models developed by Hayashi & Chiba and compare our results with theoretical predictions of cold dark matter (CDM) models. This is motivated by the fact that CDM models predict non-spherical virialized dark halos, which reflect the process of mass assembly in the galactic scale. Applying our models to the latest kinematic data of globular clusters and dwarf spheroidal galaxies in the Andromeda halo, we find that the most plausible cases for Andromeda yield a prolate shape for its dark halo, irrespective of assumed density profiles. We also find that this prolate dark halo in Andromeda is consistent with theoretical predictions in which the satellites are distributed anisotropically and preferentially located along major axes of their host halos. It is a reflection of the intimate connection between galactic dark matter halos and the cosmic web. Therefore, our result is profound in understanding internal dynamics of halo tracers in Andromeda, such as orbital evolutions of tidal stellar streams, which play important roles in extracting the abundance of CDM subhalos through their dynamical effects on stream structures.
Exploiting jet binning to identify the initial state of high-mass resonances

NASA Astrophysics Data System (ADS)

Ebert, Markus A.; Liebler, Stefan; Moult, Ian; Stewart, Iain W.; Tackmann, Frank J.; Tackmann, Kerstin; Zeune, Lisa

2016-09-01

If a new high-mass resonance is discovered at the Large Hadron Collider, model-independent techniques to identify the production mechanism will be crucial to understand its nature and effective couplings to Standard Model particles. We present a powerful and model-independent method to infer the initial state in the production of any high-mass color-singlet system by using a tight veto on accompanying hadronic jets to divide the data into two mutually exclusive event samples (jet bins). For a resonance of several hundred GeV, the jet binning cut needed to discriminate quark and gluon initial states is in the experimentally accessible range of several tens of GeV. It also yields comparable cross sections for both bins, making this method viable already with the small event samples available shortly after a discovery. Theoretically, the method is made feasible by utilizing an effective field theory setup to compute the jet cut dependence precisely and model independently and to systematically control all sources of theoretical uncertainties in the jet binning, as well as their correlations. We use a 750 GeV scalar resonance as an example to demonstrate the viability of our method.
One- and Two-Equation Models to Simulate Ion Transport in Charged Porous Electrodes

DOE PAGES

Gabitto, Jorge; Tsouris, Costas

2018-01-19

Energy storage in porous capacitor materials, capacitive deionization (CDI) for water desalination, capacitive energy generation, geophysical applications, and removal of heavy ions from wastewater streams are some examples of processes where understanding of ionic transport processes in charged porous media is very important. In this work, one- and two-equation models are derived to simulate ionic transport processes in heterogeneous porous media comprising two different pore sizes. It is based on a theory for capacitive charging by ideally polarizable porous electrodes without Faradaic reactions or specific adsorption of ions. A two-step volume averaging technique is used to derive the averaged transportmore » equations for multi-ionic systems without any further assumptions, such as thin electrical double layers or Donnan equilibrium. A comparison between both models is presented. The effective transport parameters for isotropic porous media are calculated by solving the corresponding closure problems. An approximate analytical procedure is proposed to solve the closure problems. Numerical and theoretical calculations show that the approximate analytical procedure yields adequate solutions. Lastly, a theoretical analysis shows that the value of interphase pseudo-transport coefficients determines which model to use.« less
The prolate dark matter halo of the Andromeda galaxy

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

Hayashi, Kohei; Chiba, Masashi, E-mail: k.hayasi@astr.tohoku.ac.jp, E-mail: chiba@astr.tohoku.ac.jp

We present new limits on the global shape of the dark matter halo in the Andromeda galaxy using and generalizing non-spherical mass models developed by Hayashi and Chiba and compare our results with theoretical predictions of cold dark matter (CDM) models. This is motivated by the fact that CDM models predict non-spherical virialized dark halos, which reflect the process of mass assembly in the galactic scale. Applying our models to the latest kinematic data of globular clusters and dwarf spheroidal galaxies in the Andromeda halo, we find that the most plausible cases for Andromeda yield a prolate shape for itsmore » dark halo, irrespective of assumed density profiles. We also find that this prolate dark halo in Andromeda is consistent with theoretical predictions in which the satellites are distributed anisotropically and preferentially located along major axes of their host halos. It is a reflection of the intimate connection between galactic dark matter halos and the cosmic web. Therefore, our result is profound in understanding internal dynamics of halo tracers in Andromeda, such as orbital evolutions of tidal stellar streams, which play important roles in extracting the abundance of CDM subhalos through their dynamical effects on stream structures.« less
One- and Two-Equation Models to Simulate Ion Transport in Charged Porous Electrodes

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

Gabitto, Jorge; Tsouris, Costas

Energy storage in porous capacitor materials, capacitive deionization (CDI) for water desalination, capacitive energy generation, geophysical applications, and removal of heavy ions from wastewater streams are some examples of processes where understanding of ionic transport processes in charged porous media is very important. In this work, one- and two-equation models are derived to simulate ionic transport processes in heterogeneous porous media comprising two different pore sizes. It is based on a theory for capacitive charging by ideally polarizable porous electrodes without Faradaic reactions or specific adsorption of ions. A two-step volume averaging technique is used to derive the averaged transportmore » equations for multi-ionic systems without any further assumptions, such as thin electrical double layers or Donnan equilibrium. A comparison between both models is presented. The effective transport parameters for isotropic porous media are calculated by solving the corresponding closure problems. An approximate analytical procedure is proposed to solve the closure problems. Numerical and theoretical calculations show that the approximate analytical procedure yields adequate solutions. Lastly, a theoretical analysis shows that the value of interphase pseudo-transport coefficients determines which model to use.« less
Ion and advanced electric thruster research

NASA Technical Reports Server (NTRS)

Wilbur, P. J.

1980-01-01

A phenomenological model of the orificed, hollow cathode based on the field enhanced, thermionic mechanism of electron emission is presented. High frequency oscillations associated with the orificed, hollow cathode are shown to be a consequence of current flow through the cathode orifice. A procedure for Langmuir probing of the hollow cathode discharge and analyzing the resulting probe characteristics is discussed. The results of sputter yield measurements made for molybdenum, tantalum, type 304 stainless steel and copper surfaces being bombarded by low energy argon or mercury ions are also given. The effects of nitrogen and alternated copper layers on the sputter yields of molybdenum, tantalum and 304 stainless steel are also discussed. A dynamic model of electrothermal rocket and ramjet thrusters is developed. The gross performance of these devices is compared to that of an electromagnetic gun for the case of a high acceleration, Earth launch mission. The theoretical performance of electrothermal rockets and ramjets is shown to be comparable to that of the electromagnetic gun.
Decision curve analysis: a novel method for evaluating prediction models.

PubMed

Vickers, Andrew J; Elkin, Elena B

2006-01-01

Diagnostic and prognostic models are typically evaluated with measures of accuracy that do not address clinical consequences. Decision-analytic techniques allow assessment of clinical outcomes but often require collection of additional information and may be cumbersome to apply to models that yield a continuous result. The authors sought a method for evaluating and comparing prediction models that incorporates clinical consequences,requires only the data set on which the models are tested,and can be applied to models that have either continuous or dichotomous results. The authors describe decision curve analysis, a simple, novel method of evaluating predictive models. They start by assuming that the threshold probability of a disease or event at which a patient would opt for treatment is informative of how the patient weighs the relative harms of a false-positive and a false-negative prediction. This theoretical relationship is then used to derive the net benefit of the model across different threshold probabilities. Plotting net benefit against threshold probability yields the "decision curve." The authors apply the method to models for the prediction of seminal vesicle invasion in prostate cancer patients. Decision curve analysis identified the range of threshold probabilities in which a model was of value, the magnitude of benefit, and which of several models was optimal. Decision curve analysis is a suitable method for evaluating alternative diagnostic and prognostic strategies that has advantages over other commonly used measures and techniques.

A theoretical and experimental approach toward the development of affinity adsorbents for GFP and GFP-fusion proteins purification.

PubMed

Fernandes, Cláudia S M; Pina, Ana Sofia; Dias, Ana M G C; Branco, Ricardo J F; Roque, Ana Cecília Afonso

2014-09-30

The green fluorescent protein (GFP) is widely employed to report on a variety of molecular phenomena, but its selective recovery is hampered by the lack of a low-cost and robust purification alternative. This work reports an integrated approach combining rational design and experimental validation toward the optimization of a small fully-synthetic ligand for GFP purification. A total of 56 affinity ligands based on a first-generation lead structure were rationally designed through molecular modeling protocols. The library of ligands was further synthesized by solid-phase combinatorial methods based on the Ugi reaction and screened against Escherichia coli extracts containing GFP. Ligands A4C2, A5C5 and A5C6 emerged as the new lead structures based on the high estimated theoretical affinity constants and the high GFP binding percentages and enrichment factors. The elution of GFP from these adsorbents was further characterized, where the best compromise between mild elution conditions, yield and purity was found for ligands A5C5 and A5C6. These were tested for purifying a model GFP-fusion protein, where ligand A5C5 yielded higher protein recovery and purity. The molecular interactions between the lead ligands and GFP were further assessed by molecular dynamics simulations, showing a wide range of potential hydrophobic and hydrogen-bond interactions. Copyright © 2014 Elsevier B.V. All rights reserved.
Comparing Benign and Malignant Neoplasia and DSB Induction for Low-and High-LET Radiation

NASA Astrophysics Data System (ADS)

Burns, Fredric; Tang, Moon-Shong Eric; Wu, Feng

One-and 2-stage models based on DNA double strand breaks (DSBs) have been developed to describe the dose and LET dependence of cancer induction in rat skin exposed to the Bragg plateau of several ion beams or electron radiation. Data are presented showing that carcinomas (malignant) and fibromas (benign) are induced differently by low and high LET radiation. DSBs are subject to complex repair processes, including homologous and non-homologous end joining, that slowly eliminate broken chromosome ends but at the expense of elevating genomic instability that increases the risk of neoplasia. In this formulation the initial molecular lesion in radiation carcinogenesis is assumed to be a DNA double strand break (DSB). The 2-event model assumes that pairs of DSBs join to create cellular genomic instability that eventually progresses to malignancy. The 1-event model assumes that joining is insignificant but that unrepaired DSBs remain and are sufficiently destabilizing to produce low-grade neoplasias. The respective expected relationships between neoplasia yield (Y), radiation dose (D) and LET (L) are: Y(D) = CLD + BD2 (A) for 2-events and Y(D) = CLD (B) for 1-event. Respective B and C values have been evaluated empirically for carcinomas, fibromas and DSBs, the latter via the -H2Ax technique in surrogate keratinocytes, for several types of radiations, including, 40Ar ions, 56Fe ions, 20Ne ions, protons, electrons and x-rays. Fibromas outnumber carcinomas by about 6:1 but are more sensitive than carcinomas to the cytolethal effect of the radiations. The 2-event model agrees well with carcinoma yields in rat skin but fails to model fibromas correctly. Instead the fibroma yields best fitted with the 1-event model for the high LET ion radiations, but at very low LET (electron radiation), an empirical D3 component becomes apparent which is not currently incorporated into the theoretical model. At higher LET values, the D3 component was not detected. The overall results are summarized as follows: 1) DSBs predict carcinoma yields in regard to dose and LET in conformity to Equation A, 2) fibroma yields for 40Ar and 20Ne ions conform to Equation B, i.e. yield proportionality to D and L and 3) the positive slope of the fibroma yield to electron radiation is a third order discrepancy suggesting a more complicated response that has yet to be incorporated into the model. The results provide encouragement that once calibrated for humans, a short-term test of DSB yield might be capable of predicting cancer risks for a variety of space radiation exposure scenarios.
Modeling of Detached Solidification

NASA Technical Reports Server (NTRS)

Regel, Liya L.; Wilcox, William R.; Popov, Dmitri

1997-01-01

Our long term goal is to develop techniques to achieve detached solidification reliably and reproducibly, in order to produce crystals with fewer defects. To achieve this goal it is necessary to understand thoroughly the physics of detached solidification. It was the primary objective of the current project to make progress toward this complete understanding. 'Me products of this grant are attached. These include 4 papers and a preliminary survey of the observations of detached solidification in space. We have successfully modeled steady state detached solidification, examined the stability of detachment, and determined the influence of buoyancy-driven convection under different conditions. Directional solidification in microgravity has often led to ingots that grew with little or no contact with the ampoule wall. When this occurred, crystallographic perfection was usually greatly improved -- often by several orders of magnitude. Indeed, under the Soviet microgravity program the major objective was to achieve detached solidification with its resulting improvement in perfection and properties. Unfortunately, until recently the true mechanisms underlying detached solidification were unknown. As a consequence, flight experiments yielded erratic results. Within the past three years, we have developed a new theoretical model that explains many of the flight results. This model gives rise to predictions of the conditions required to yield detached solidification.
Tropical forests are non-equilibrium ecosystems governed by interspecific competition based on universal 1/6 niche width.

PubMed

Fort, Hugo; Inchausti, Pablo

2013-01-01

Tropical forests are mega-diverse ecosystems that display complex and non-equilibrium dynamics. However, theoretical approaches have largely focused on explaining steady-state behaviour and fitting snapshots of data. Here we show that local and niche interspecific competition can realistically and parsimoniously explain the observed non-equilibrium regime of permanent plots of nine tropical forests, in eight different countries. Our spatially-explicit model, besides predicting with accuracy the main biodiversity metrics for these plots, can also reproduce their dynamics. A central finding is that tropical tree species have a universal niche width of approximately 1/6 of the niche axis that echoes the observed widespread convergence in their functional traits enabling them to exploit similar resources and to coexist despite of having large niche overlap. This niche width yields an average ratio of 0.25 between interspecific and intraspecific competition that corresponds to an intermediate value between the extreme claims of the neutral model and the classical niche-based model of community assembly (where interspecific competition is dominant). In addition, our model can explain and yield observed spatial patterns that classical niche-based and neutral theories cannot.
Synergy as design principle for metabolic engineering of 1-propanol production in Escherichia coli.

PubMed

Shen, Claire R; Liao, James C

2013-05-01

Synthesis of a desired product can often be achieved via more than one metabolic pathway. Whether naturally evolved or synthetically engineered, these pathways often exhibit specific properties that are suitable for production under distinct conditions and host organisms. Synergy between pathways arises when the underlying pathway characteristics, such as reducing equivalent demand, ATP requirement, intermediate utilization, and cofactor preferences, are complementary to each other. Utilization of such pathways in combination leads to an increased metabolite productivity and/or yield compared to using each pathway alone. This work illustrates the principle of synergy between two different pathways for 1-propanol production in Escherichia coli. A model-guided design based on maximum theoretical yield calculations identified synergy of the native threonine pathway and the heterologous citramalate pathway in terms of production yield across all flux ratios between the two pathways. Characterization of the individual pathways by host gene deletions demonstrates their distinct metabolic characteristics: the necessity of TCA cycle for threonine pathway and the independence of TCA cycle for the citramalate pathway. The two pathways are also complementary in driving force demands. Production experiments verified the synergistic effects predicted by the yield model, in which the platform with dual pathway for 2-ketobutyrate synthesis achieved higher yield (0.15g/g of glucose) and productivity (0.12g/L/h) of 1-propanol than individual ones alone: the threonine pathway (0.09g/g; 0.04g/L/h) or the citramalate pathway (0.11g/g; 0.04g/L/h). Thus, incorporation of synergy into the design principle of metabolic engineering may improve the production yield and rate of the desired compound. Copyright © 2013 Elsevier Inc. All rights reserved.
Effect of three pretreatment techniques on the chemical composition and on the methane yields of Opuntia ficus-indica (prickly pear) biomass.

PubMed

Calabrò, P S; Catalán, E; Folino, A; Sánchez, A; Komilis, D

2018-01-01

Opuntia ficus-indica (OFI) is an emerging biomass that has the potential to be used as substrate in anaerobic digestion. The goal of this work was to investigate the effect of three pretreatment techniques (thermal, alkaline, acidic) on the chemical composition and the methane yield of OFI biomass. A composite experimental design with three factors and two to three levels was implemented, and regression modelling was employed using a total of 10 biochemical methane potential (BMP) tests. The measured methane yields ranged from 289 to 604 NmL/gVS added ; according to the results, only the acidic pretreatment (HCl) was found to significantly increase methane generation. However, as the experimental values were quite high with regards to the theoretical methane yield of the substrate, this effect still needs to be confirmed via further research. The alkaline pretreatment (NaOH) did not noticeably affect methane yields (an average reduction of 8% was recorded), despite the fact that it did significantly reduce the lignin content. Thermal pretreatment had no effect on the methane yields or the chemical composition. Scanning electron microscopy images revealed changes in the chemical structure after the addition of NaOH and HCl. Modelling of the cumulated methane production by the Gompertz modified equation was successful and aided in understanding kinetic advantages linked to some of the pretreatments. For example, the alkaline treatment (at the 20% dosage) at room temperature resulted to a μ max (maximum specific methane production rate [NmLCH 4 /(gVS added ·d)]) equal to 36.3 against 18.6 for the control.
Holographic dark energy with cosmological constant

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

Hu, Yazhou; Li, Nan; Zhang, Zhenhui

2015-08-01

Inspired by the multiverse scenario, we study a heterotic dark energy model in which there are two parts, the first being the cosmological constant and the second being the holographic dark energy, thus this model is named the ΛHDE model. By studying the ΛHDE model theoretically, we find that the parameters d and Ω{sub hde} are divided into a few domains in which the fate of the universe is quite different. We investigate dynamical behaviors of this model, and especially the future evolution of the universe. We perform fitting analysis on the cosmological parameters in the ΛHDE model by usingmore » the recent observational data. We find the model yields χ{sup 2}{sub min}=426.27 when constrained by Planck+SNLS3+BAO+HST, comparable to the results of the HDE model (428.20) and the concordant ΛCDM model (431.35). At 68.3% CL, we obtain −0.07« less
Ignition and combustion characteristics of metallized propellants

NASA Technical Reports Server (NTRS)

Mueller, D. C.; Turns, Stephen R.

1992-01-01

During this reporting period, theoretical work on the secondary atomization process was continued and the experimental apparatus was improved. A one-dimensional model of a rocket combustor, incorporating multiple droplet size classes, slurry combustion, secondary atomization, radiation heat transfer, and two-phase slip between slurry droplets and the gas flow was derived and a computer code was written to implement this model. The STANJAN chemical equilibrium solver was coupled with this code to yield gas temperature, density, and composition as functions of axial location. Preliminary results indicate that the model is performing correctly, given current model assumptions. Radiation heat transfer in the combustion chamber is treated as an optically-thick participating media problem requiring a solution of the radiative transfer equation. A cylindrical P sub 1 approximation was employed to yield an analytical expression for chamber-wall heat flux at each axial location. The code exercised to determine the effects of secondary atomization intensity, defined as the number of secondary drops produced per initial drop, on chamber burnout distance and final Al2O3 agglomerate diameter. These results indicate that only weak secondary atomization is required to significantly reduce these two parameters. Stronger atomization intensities were found to yield decreasing marginal benefits. The experimental apparatus was improved to reduce building vibration effects on the optical system alignment. This was accomplished by mounting the burner and the transmitting/receiving optics on a single frame supported by vibration-isolation legs. Calibration and shakedown tests indicate that vibration problems were eliminated and that the system is performing correctly.
Procedures for experimental measurement and theoretical analysis of large plastic deformations

NASA Technical Reports Server (NTRS)

Morris, R. E.

1974-01-01

Theoretical equations are derived and analytical procedures are presented for the interpretation of experimental measurements of large plastic strains in the surface of a plate. Orthogonal gage lengths established on the metal surface are measured before and after deformation. The change in orthogonality after deformation is also measured. Equations yield the principal strains, deviatoric stresses in the absence of surface friction forces, true stresses if the stress normal to the surface is known, and the orientation angle between the deformed gage line and the principal stress-strain axes. Errors in the measurement of nominal strains greater than 3 percent are within engineering accuracy. Applications suggested for this strain measurement system include the large-strain-stress analysis of impact test models, burst tests of spherical or cylindrical pressure vessels, and to augment small-strain instrumentation tests where large strains are anticipated.
Ensemble Solar Forecasting Statistical Quantification and Sensitivity Analysis: Preprint

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

Cheung, WanYin; Zhang, Jie; Florita, Anthony

2015-12-08

Uncertainties associated with solar forecasts present challenges to maintain grid reliability, especially at high solar penetrations. This study aims to quantify the errors associated with the day-ahead solar forecast parameters and the theoretical solar power output for a 51-kW solar power plant in a utility area in the state of Vermont, U.S. Forecasts were generated by three numerical weather prediction (NWP) models, including the Rapid Refresh, the High Resolution Rapid Refresh, and the North American Model, and a machine-learning ensemble model. A photovoltaic (PV) performance model was adopted to calculate theoretical solar power generation using the forecast parameters (e.g., irradiance,more » cell temperature, and wind speed). Errors of the power outputs were quantified using statistical moments and a suite of metrics, such as the normalized root mean squared error (NRMSE). In addition, the PV model's sensitivity to different forecast parameters was quantified and analyzed. Results showed that the ensemble model yielded forecasts in all parameters with the smallest NRMSE. The NRMSE of solar irradiance forecasts of the ensemble NWP model was reduced by 28.10% compared to the best of the three NWP models. Further, the sensitivity analysis indicated that the errors of the forecasted cell temperature attributed only approximately 0.12% to the NRMSE of the power output as opposed to 7.44% from the forecasted solar irradiance.« less
Optimization of dilute acid pretreatment of water hyacinth biomass for enzymatic hydrolysis and ethanol production

PubMed Central

Idrees, Muhammad; Adnan, Ahmad; Sheikh, Shahzad; Qureshic, Fahim Ashraf

2013-01-01

The present study was conducted for the optimization of pretreatment process that was used for enzymatic hydrolysis of lignocellulosic biomass (Water Hyacinth, WH), which is a renewable resource for the production of bioethanol with decentralized availability. Response surface methodology has been employed for the optimization of temperature (oC), time (hr) and different concentrations of maleic acid (MA), sulfuric acid (SA) and phosphoric acid (PA) that seemed to be significant variables with P < 0.05. High F and R2 values and low P-value for hydrolysis yield indicated the model predictability. The pretreated biomass producing 39.96 g/l, 39.86 g/l and 37.9 g/l of reducing sugars during enzymatic hydrolysis with yield 79.93, 78.71 and 75.9 % from PA, MA and SA treated respectively. The order of catalytic effectiveness for hydrolysis yield was found to be phosphoric acid > maleic acid > sulfuric acid. Mixture of sugars was obtained during dilute acid pretreatment with glucose being the most prominent sugar while pure glucose was obtained during enzymatic hydrolysis. The resulting sugars, obtained during enzymatic hydrolysis were finally fermented to ethanol, with yield 0.484 g/g of reducing sugars which is 95 % of theoretical yield (0.51 g/g glucose) by using commercial baker's yeast (Sacchromyces cerveasiae). PMID:26417215
Prospects for transferring 87Rb84Sr dimers to the rovibrational ground state based on calculated molecular structures

NASA Astrophysics Data System (ADS)

Chen, Tao; Zhu, Shaobing; Li, Xiaolin; Qian, Jun; Wang, Yuzhu

2014-06-01

Using fitted model potential curves of the ground and lowest three excited states yielded by the relativistic Kramers-restricted multireference configuration interaction method with 19 electrons correlated, we theoretically investigate the rovibrational properties including the number of vibrational state and diagonally distributed Franck-Condon factors for a 87Rb84Sr molecule. Benefiting from a turning point at about v'=20 for the Franck-Condon factors between the ground state and spin-orbit 2(Ω=1/2) excited state, we choose |2(Ω=1/2),v'=21,J'=1> as the intermediate state in the three-level model to theoretically analyze the possibility of performing stimulated Raman adiabatic passage to transfer weakly bound RbSr molecules to the rovibrational ground state. With 1550 nm pump laser (2 W/cm2) and 1342 nm dump laser (10 mW/cm2) employed and appropriate settings of pulse time length (about 300 μs), we have formalistically achieved a round-trip transfer efficiency of 60%, namely 77% for one-way transfer. The results demonstrate the possibility of producing polar 87Rb84Sr molecules efficiently in a submicrokelvin regime, and further provide promising directions for future theoretical and experimental studies on alkali-alkaline(rare)-earth dimers.
Cored density profiles in the DARKexp model

NASA Astrophysics Data System (ADS)

Destri, Claudio

2018-05-01

The DARKexp model represents a novel and promising attempt to solve a long standing problem of statistical mechanics, that of explaining from first principles the quasi-stationary states at the end of the collisionless gravitational collapse. The model, which yields good fits to observation and simulation data on several scales, was originally conceived to provide a theoretical basis for the 1/r cusp of the Navarro-Frenk-White profile. In this note we show that it also allows for cored density profiles that, when viewed in three dimensions, in the r→0 limit have the conical shape characteristic of the Burkert profile. It remains to be established whether both cusps and cores, or only one of the two types, are allowed beyond the asymptotic analysis of this work.
Transverse-momentum and collision-energy dependence of high-pT hadron suppression in Au+Au collisions at ultrarelativistic energies.

PubMed

Adams, J; Adler, C; Aggarwal, M M; Ahammed, Z; Amonett, J; Anderson, B D; Anderson, M; Arkhipkin, D; Averichev, G S; Badyal, S K; Balewski, J; Barannikova, O; Barnby, L S; Baudot, J; Bekele, S; Belaga, V V; Bellwied, R; Berger, J; Bezverkhny, B I; Bhardwaj, S; Bhaskar, P; Bhati, A K; Bichsel, H; Billmeier, A; Bland, L C; Blyth, C O; Bonner, B E; Botje, M; Boucham, A; Brandin, A; Bravar, A; Cadman, R V; Cai, X Z; Caines, H; Calderón de la Barca Sánchez, M; Carroll, J; Castillo, J; Castro, M; Cebra, D; Chaloupka, P; Chattopadhyay, S; Chen, H F; Chen, Y; Chernenko, S P; Cherney, M; Chikanian, A; Choi, B; Christie, W; Coffin, J P; Cormier, T M; Cramer, J G; Crawford, H J; Das, D; Das, S; Derevschikov, A A; Didenko, L; Dietel, T; Dong, X; Draper, J E; Drees, K A; Du, F; Dubey, A K; Dunin, V B; Dunlop, J C; Dutta Majumdar, M R; Eckardt, V; Efimov, L G; Emelianov, V; Engelage, J; Eppley, G; Erazmus, B; Fachini, P; Faine, V; Faivre, J; Fatemi, R; Filimonov, K; Filip, P; Finch, E; Fisyak, Y; Flierl, D; Foley, K J; Fu, J; Gagliardi, C A; Ganti, M S; Gagunashvili, N; Gans, J; Gaudichet, L; Germain, M; Geurts, F; Ghazikhanian, V; Ghosh, P; Gonzalez, J E; Grachov, O; Grigoriev, V; Gronstal, S; Grosnick, D; Guedon, M; Guertin, S M; Gupta, A; Gushin, E; Gutierrez, T D; Hallman, T J; Hardtke, D; Harris, J W; Heinz, M; Henry, T W; Heppelmann, S; Herston, T; Hippolyte, B; Hirsch, A; Hjort, E; Hoffmann, G W; Horsley, M; Huang, H Z; Huang, S L; Humanic, T J; Igo, G; Ishihara, A; Jacobs, P; Jacobs, W W; Janik, M; Johnson, I; Jones, P G; Judd, E G; Kabana, S; Kaneta, M; Kaplan, M; Keane, D; Kiryluk, J; Kisiel, A; Klay, J; Klein, S R; Klyachko, A; Kollegger, T; Konstantinov, A S; Kopytine, M; Kotchenda, L; Kovalenko, A D; Kramer, M; Kravtsov, P; Krueger, K; Kuhn, C; Kulikov, A I; Kumar, A; Kunde, G J; Kunz, C L; Kutuev, R Kh; Kuznetsov, A A; Lamont, M A C; Landgraf, J M; Lange, S; Lansdell, C P; Lasiuk, B; Laue, F; Lauret, J; Lebedev, A; Lednický, R; Leontiev, V M; LeVine, M J; Li, C; Li, Q; Lindenbaum, S J; Lisa, M A; Liu, F; Liu, L; Liu, Z; Liu, Q J; Ljubicic, T; Llope, W J; Long, H; Longacre, R S; Lopez-Noriega, M; Love, W A; Ludlam, T; Lynn, D; Ma, J; Ma, Y G; Magestro, D; Mahajan, S; Mangotra, L K; Mahapatra, D P; Majka, R; Manweiler, R; Margetis, S; Markert, C; Martin, L; Marx, J; Matis, H S; Matulenko, Yu A; McShane, T S; Meissner, F; Melnick, Yu; Meschanin, A; Messer, M; Miller, M L; Milosevich, Z; Minaev, N G; Mironov, C; Mishra, D; Mitchell, J; Mohanty, B; Molnar, L; Moore, C F; Mora-Corral, M J; Morozov, V; de Moura, M M; Munhoz, M G; Nandi, B K; Nayak, S K; Nayak, T K; Nelson, J M; Nevski, P; Nikitin, V A; Nogach, L V; Norman, B; Nurushev, S B; Odyniec, G; Ogawa, A; Okorokov, V; Oldenburg, M; Olson, D; Paic, G; Pandey, S U; Pal, S K; Panebratsev, Y; Panitkin, S Y; Pavlinov, A I; Pawlak, T; Perevoztchikov, V; Peryt, W; Petrov, V A; Phatak, S C; Picha, R; Planinic, M; Pluta, J; Porile, N; Porter, J; Poskanzer, A M; Potekhin, M; Potrebenikova, E; Potukuchi, B V K S; Prindle, D; Pruneau, C; Putschke, J; Rai, G; Rakness, G; Raniwala, R; Raniwala, S; Ravel, O; Ray, R L; Razin, S V; Reichhold, D; Reid, J G; Renault, G; Retiere, F; Ridiger, A; Ritter, H G; Roberts, J B; Rogachevski, O V; Romero, J L; Rose, A; Roy, C; Ruan, L J; Rykov, V; Sahoo, R; Sakrejda, I; Salur, S; Sandweiss, J; Savin, I; Schambach, J; Scharenberg, R P; Schmitz, N; Schroeder, L S; Schweda, K; Seger, J; Seliverstov, D; Seyboth, P; Shahaliev, E; Shao, M; Sharma, M; Shestermanov, K E; Shimanskii, S S; Singaraju, R N; Simon, F; Skoro, G; Smirnov, N; Snellings, R; Sood, G; Sorensen, P; Sowinski, J; Spinka, H M; Srivastava, B; Stanislaus, S; Stock, R; Stolpovsky, A; Strikhanov, M; Stringfellow, B; Struck, C; Suaide, A A P; Sugarbaker, E; Suire, C; Sumbera, M; Surrow, B; Symons, T J M; Szanto de Toledo, A; Szarwas, P; Tai, A; Takahashi, J; Tang, A H; Thein, D; Thomas, J H; Tikhomirov, V; Tokarev, M; Tonjes, M B; Trainor, T A; Trentalange, S; Tribble, R E; Trivedi, M D; Trofimov, V; Tsai, O; Ullrich, T; Underwood, D G; Van Buren, G; VanderMolen, A M; Vasiliev, A N; Vasiliev, M; Vigdor, S E; Viyogi, Y P; Voloshin, S A; Waggoner, W; Wang, F; Wang, G; Wang, X L; Wang, Z M; Ward, H; Watson, J W; Wells, R; Westfall, G D; Whitten, C; Wieman, H; Willson, R; Wissink, S W; Witt, R; Wood, J; Wu, J; Xu, N; Xu, Z; Xu, Z Z; Yakutin, A E; Yamamoto, E; Yang, J; Yepes, P; Yurevich, V I; Zanevski, Y V; Zborovský, I; Zhang, H; Zhang, H Y; Zhang, W M; Zhang, Z P; Zołnierczuk, P A; Zoulkarneev, R; Zoulkarneeva, J; Zubarev, A N

2003-10-24

We report high statistics measurements of inclusive charged hadron production in Au+Au and p+p collisions at sqrt[s(NN)]=200 GeV. A large, approximately constant hadron suppression is observed in central Au+Au collisions for 5
Viscoelastic love-type surface waves

USGS Publications Warehouse

Borcherdt, Roger D.

2008-01-01

The general theoretical solution for Love-Type surface waves in viscoelastic media provides theoreticalexpressions for the physical characteristics of the waves in elastic as well as anelastic media with arbitraryamounts of intrinsic damping. The general solution yields dispersion and absorption-coefficient curves for the waves as a function of frequency and theamount of intrinsic damping for any chosen viscoelastic model.Numerical results valid for a variety of viscoelastic models provide quantitative estimates of the physicalcharacteristics of the waves pertinent to models of Earth materials ranging from small amounts of damping in the Earth’s crust to moderate and large amounts of damping in soft soils and water-saturated sediments. Numerical results, presented herein, are valid for a wide range of solids and applications.
Dynamic Model for Life History of Scyphozoa

PubMed Central

Xie, Congbo; Fan, Meng; Wang, Xin; Chen, Ming

2015-01-01

A two-state life history model governed by ODEs is formulated to elucidate the population dynamics of jellyfish and to illuminate the triggering mechanism of its blooms. The polyp-medusa model admits trichotomous global dynamic scenarios: extinction, polyps survival only, and both survival. The population dynamics sensitively depend on several biotic and abiotic limiting factors such as substrate, temperature, and predation. The combination of temperature increase, substrate expansion, and predator diminishment acts synergistically to create a habitat that is more favorable for jellyfishes. Reducing artificial marine constructions, aiding predator populations, and directly controlling the jellyfish population would help to manage the jellyfish blooms. The theoretical analyses and numerical experiments yield several insights into the nature underlying the model and shed some new light on the general control strategy for jellyfish. PMID:26114642
Dynamic Model for Life History of Scyphozoa.

PubMed

Xie, Congbo; Fan, Meng; Wang, Xin; Chen, Ming

2015-01-01

A two-state life history model governed by ODEs is formulated to elucidate the population dynamics of jellyfish and to illuminate the triggering mechanism of its blooms. The polyp-medusa model admits trichotomous global dynamic scenarios: extinction, polyps survival only, and both survival. The population dynamics sensitively depend on several biotic and abiotic limiting factors such as substrate, temperature, and predation. The combination of temperature increase, substrate expansion, and predator diminishment acts synergistically to create a habitat that is more favorable for jellyfishes. Reducing artificial marine constructions, aiding predator populations, and directly controlling the jellyfish population would help to manage the jellyfish blooms. The theoretical analyses and numerical experiments yield several insights into the nature underlying the model and shed some new light on the general control strategy for jellyfish.
Phenomenological Modeling of Infrared Sources: Recent Advances

NASA Technical Reports Server (NTRS)

Leung, Chun Ming; Kwok, Sun (Editor)

1993-01-01

Infrared observations from planned space facilities (e.g., ISO (Infrared Space Observatory), SIRTF (Space Infrared Telescope Facility)) will yield a large and uniform sample of high-quality data from both photometric and spectroscopic measurements. To maximize the scientific returns of these space missions, complementary theoretical studies must be undertaken to interpret these observations. A crucial step in such studies is the construction of phenomenological models in which we parameterize the observed radiation characteristics in terms of the physical source properties. In the last decade, models with increasing degree of physical realism (in terms of grain properties, physical processes, and source geometry) have been constructed for infrared sources. Here we review current capabilities available in the phenomenological modeling of infrared sources and discuss briefly directions for future research in this area.
Quantitative Evaluation of Performance in Interventional Neuroradiology: An Integrated Curriculum Featuring Theoretical and Practical Challenges.

PubMed

Ernst, Marielle; Kriston, Levente; Romero, Javier M; Frölich, Andreas M; Jansen, Olav; Fiehler, Jens; Buhk, Jan-Hendrik

2016-01-01

We sought to develop a standardized curriculum capable of assessing key competencies in Interventional Neuroradiology by the use of models and simulators in an objective, quantitative, and efficient way. In this evaluation we analyzed the associations between the practical experience, theoretical knowledge, and the skills lab performance of interventionalists. We evaluated the endovascular skills of 26 participants of the Advanced Course in Endovascular Interventional Neuroradiology of the European Society of Neuroradiology with a set of three tasks (aneurysm coiling and thrombectomy in a virtual simulator and placement of an intra-aneurysmal flow disruptor in a flow model). Practical experience was assessed by a survey. Participants completed a written and oral examination to evaluate theoretical knowledge. Bivariate and multivariate analyses were performed. In multivariate analysis knowledge of materials and techniques in Interventional Neuroradiology was moderately associated with skills in aneurysm coiling and thrombectomy. Experience in mechanical thrombectomy was moderately associated with thrombectomy skills, while age was negatively associated with thrombectomy skills. We found no significant association between age, sex, or work experience and skills in aneurysm coiling. Our study gives an example of how an integrated curriculum for reasonable and cost-effective assessment of key competences of an interventional neuroradiologist could look. In addition to traditional assessment of theoretical knowledge practical skills are measured by the use of endovascular simulators yielding objective, quantitative, and constructive data for the evaluation of the current performance status of participants as well as the evolution of their technical competency over time.
The thermochemistry of london dispersion-driven transition metal reactions: getting the 'right answer for the right reason'.

PubMed

Hansen, Andreas; Bannwarth, Christoph; Grimme, Stefan; Petrović, Predrag; Werlé, Christophe; Djukic, Jean-Pierre

2014-10-01

Reliable thermochemical measurements and theoretical predictions for reactions involving large transition metal complexes in which long-range intramolecular London dispersion interactions contribute significantly to their stabilization are still a challenge, particularly for reactions in solution. As an illustrative and chemically important example, two reactions are investigated where a large dipalladium complex is quenched by bulky phosphane ligands (triphenylphosphane and tricyclohexylphosphane). Reaction enthalpies and Gibbs free energies were measured by isotherm titration calorimetry (ITC) and theoretically 'back-corrected' to yield 0 K gas-phase reaction energies (ΔE). It is shown that the Gibbs free solvation energy calculated with continuum models represents the largest source of error in theoretical thermochemistry protocols. The ('back-corrected') experimental reaction energies were used to benchmark (dispersion-corrected) density functional and wave function theory methods. Particularly, we investigated whether the atom-pairwise D3 dispersion correction is also accurate for transition metal chemistry, and how accurately recently developed local coupled-cluster methods describe the important long-range electron correlation contributions. Both, modern dispersion-corrected density functions (e.g., PW6B95-D3(BJ) or B3LYP-NL), as well as the now possible DLPNO-CCSD(T) calculations, are within the 'experimental' gas phase reference value. The remaining uncertainties of 2-3 kcal mol(-1) can be essentially attributed to the solvation models. Hence, the future for accurate theoretical thermochemistry of large transition metal reactions in solution is very promising.

Future orientation in the self-system: possible selves, self-regulation, and behavior.

PubMed

Hoyle, Rick H; Sherrill, Michelle R

2006-12-01

Possible selves are representations of the self in the future. Early theoretical accounts of the construct suggested that possible selves directly influence motivation and behavior. We propose an alternative view of possible selves as a component in self-regulatory processes through which motivation and behavior are influenced. We demonstrate the advantages of this conceptualization in two studies that test predictions generated from theoretical models of self-regulation in which the possible selves construct could be embedded. In one study, we show how viewing possible selves as a source of behavioral standards in a control-process model of self-regulation yields support for a set of predictions about the influence of possible selves on current behavior. In the other study, we examine possible selves in the context of an interpersonal model of self-regulation, showing strong evidence of concern for relational value in freely generated hoped-for and feared selves. These findings suggest that the role of possible selves in motivation and behavior can be profitably studied in models that fully specify the process of self-regulation and that those models can be enriched by a consideration of future-oriented self-representations. We offer additional recommendations for strengthening research on possible selves and self-regulation.
Development of a satellite SAR image spectra and altimeter wave height data assimilation system for ERS-1

NASA Technical Reports Server (NTRS)

Hasselmann, Klaus; Hasselmann, Susanne; Bauer, Eva; Bruening, Claus; Lehner, Susanne; Graber, Hans; Lionello, Piero

1988-01-01

The applicability of ERS-1 wind and wave data for wave models was studied using the WAM third generation wave model and SEASAT altimeter, scatterometer and SAR data. A series of global wave hindcasts is made for the surface stress and surface wind fields by assimilation of scatterometer data for the full 96-day SEASAT and also for two wind field analyses for shorter periods by assimilation with the higher resolution ECMWF T63 model and by subjective analysis methods. It is found that wave models respond very sensitively to inconsistencies in wind field analyses and therefore provide a valuable data validation tool. Comparisons between SEASAT SAR image spectra and theoretical SAR spectra derived from the hindcast wave spectra by Monte Carlo simulations yield good overall agreement for 32 cases representing a wide variety of wave conditions. It is concluded that SAR wave imaging is sufficiently well understood to apply SAR image spectra with confidence for wave studies if supported by realistic wave models and theoretical computations of the strongly nonlinear mapping of the wave spectrum into the SAR image spectrum. A closed nonlinear integral expression for this spectral mapping relation is derived which avoids the inherent statistical errors of Monte Carlo computations and may prove to be more efficient numerically.
Production of ethyl levulinate by direct conversion of wheat straw in ethanol media.

PubMed

Chang, Chun; Xu, Guizhuan; Jiang, Xiaoxian

2012-10-01

The production of ethyl levulinate from wheat straw by direct conversion in ethanol media was investigated. Response surface methodology (RSM) was applied to optimize the effects of processing parameters, and the regression analysis was performed on the data obtained. A close agreement between the experimental results and the model predictions was achieved. The optimal conditions for ethyl levulinate production from wheat straw were acid concentration 2.5%, reaction temperature 183°C, mass ratio of liquid to solid 19.8 and reaction time 36 min. Under the optimum conditions, the yield of ethyl levulinate 17.91% was obtained, representing a theoretical yield of 51.0%. The results suggest that wheat straw can be used as potential raw materials for the production of ethyl levulinate by direct conversion in ethanol media. Copyright © 2012 Elsevier Ltd. All rights reserved.
Step - wise transient method - Influence of heat source inertia

NASA Astrophysics Data System (ADS)

Malinarič, Svetozár; Dieška, Peter

2016-07-01

Step-wise transient (SWT) method is an experimental technique for measuring the thermal diffusivity and conductivity of materials. Theoretical models and experimental apparatus are presented and the influence of the heat source capacity are investigated using the experiment simulation. The specimens from low density polyethylene (LDPE) were measured yielding the thermal diffusivity 0.165 mm2/s and thermal conductivity 0.351 W/mK with the coefficient of variation less than 1.4 %. The heat source capacity caused the systematic error of the results smaller than 1 %.
Sound produced by an oscillating arc in a high-pressure gas

NASA Astrophysics Data System (ADS)

Popov, Fedor K.; Shneider, Mikhail N.

2017-08-01

We suggest a simple theory to describe the sound generated by small periodic perturbations of a cylindrical arc in a dense gas. Theoretical analysis was done within the framework of the non-self-consistent channel arc model and supplemented with time-dependent gas dynamic equations. It is shown that an arc with power amplitude oscillations on the order of several percent is a source of sound whose intensity is comparable with external ultrasound sources used in experiments to increase the yield of nanoparticles in the high pressure arc systems for nanoparticle synthesis.
β -delayed neutron emission from 85Ga

NASA Astrophysics Data System (ADS)

Miernik, K.; Rykaczewski, K. P.; Grzywacz, R.; Gross, C. J.; Madurga, M.; Miller, D.; Stracener, D. W.; Batchelder, J. C.; Brewer, N. T.; Korgul, A.; Mazzocchi, C.; Mendez, A. J.; Liu, Y.; Paulauskas, S. V.; Winger, J. A.; Wolińska-Cichocka, M.; Zganjar, E. F.

2018-05-01

Decay of 85Ga was studied by means of β -neutron-γ spectroscopy. A pure beam of 85Ga was produced at the Holifield Radioactive Ion Beam Facility using a resonance ionization laser ion source and a high-resolution electromagnetic separator. The β -delayed neutron emission probability was measured for the first time, yielding 70(5)%. An upper limit of 0.1% for β -delayed two-neutron emission was also experimentally established for the first time. A detailed decay scheme including absolute γ -ray intensities was obtained. Results are compared with theoretical β -delayed emission models.
A statistical formulation of one-dimensional electron fluid turbulence

NASA Technical Reports Server (NTRS)

Fyfe, D.; Montgomery, D.

1977-01-01

A one-dimensional electron fluid model is investigated using the mathematical methods of modern fluid turbulence theory. Non-dissipative equilibrium canonical distributions are determined in a phase space whose co-ordinates are the real and imaginary parts of the Fourier coefficients for the field variables. Spectral densities are calculated, yielding a wavenumber electric field energy spectrum proportional to k to the negative second power for large wavenumbers. The equations of motion are numerically integrated and the resulting spectra are found to compare well with the theoretical predictions.
A critical evaluation of two-equation models for near wall turbulence

NASA Technical Reports Server (NTRS)

Speziale, Charles G.; Anderson, E. Clay; Abid, Ridha

1990-01-01

A basic theoretical and computational study of two-equation models for near-wall turbulent flows was conducted. Two major problems established for the K-epsilon model are discussed, the lack of natural boundary conditions for the dissipation rate and the appearance of higher-order correlations in the balance of terms for the dissipation rate at the wall. The K-omega equation is shown to have two problems also: an exact viscous term is missing, and the destruction of the dissipation term is not properly damped near the wall. A new K-tau model (where tau = 1/omega is the turbulent time scale) was developed by inclusion of the exact viscous term, and by introduction of new wall damping functions with improved asymptotic behavior. A preliminary test of the new model yields improved predictions for the flat-plate turbulent boundary layer.
The redox-sensing protein Rex modulates ethanol production in Thermoanaerobacterium saccharolyticum

PubMed Central

Lanahan, Anthony A.; Lynd, Lee R.

2018-01-01

Thermoanaerobacterium saccharolyticum is a thermophilic anaerobe that has been engineered to produce high amounts of ethanol, reaching ~90% theoretical yield at a titer of 70 g/L. Here we report the physiological changes that occur upon deleting the redox-sensing transcriptional regulator Rex in wild type T. saccharolyticum: a single deletion of rex resulted in a two-fold increase in ethanol yield (from 40% to 91% theoretical yield), but the resulting strains grew only about a third as fast as the wild type strain. Deletion of the rex gene also had the effect of increasing expression of alcohol dehydrogenase genes, adhE and adhA. After several serial transfers, the ethanol yield decreased from an average of 91% to 55%, and the growth rates had increased. We performed whole-genome resequencing to identify secondary mutations in the Δrex strains adapted for faster growth. In several cases, secondary mutations had appeared in the adhE gene. Furthermore, in these strains the NADH-linked alcohol dehydrogenase activity was greatly reduced. Complementation studies were done to reintroduce rex into the Δrex strains: reintroducing rex decreased ethanol yield to below wild type levels in the Δrex strain without adhE mutations, but did not change the ethanol yield in the Δrex strain where an adhE mutation occurred. PMID:29621294
DOE Office of Scientific and Technical Information (OSTI.GOV)

Wong, Joe; Krisch, M.; Farber, D.

Plutonium (Pu) is well known to have complex and unique physico-chemical properties. Notably, the pure metal exhibits six solid-state phase transformations with large volume expansions and contractions along the way to the liquid state: {alpha} {yields} {beta} {yields} {gamma} {yields} {delta} {yields} {delta}{prime} {yields} {var_epsilon} {yields} liquid. Unalloyed Pu melts at a relatively low temperature {approx}640 C to yield a higher density liquid than that of the solid from which it melts, (Figure 1). Detailed understanding of the properties of plutonium and plutonium-based alloys is critical for the safe handling, utilization, and long-term storage of these important, but highly toxicmore » materials. However, both technical and and safety issues have made experimental observations extremely difficult. Phonon dispersion curves (PDCs) are key experimenta l data to the understanding of the basic properties of Pu materials such as: force constants, sound velocities, elastic constants, thermodynamics, phase stability, electron-phonon coupling, structural relaxation, etc. However, phonon dispersion curves (PDCs) in plutonium (Pu) and its alloys have defied measurement for the past few decades since the discovery of this element in 1941. This is due to a combination of the high thermal-neutron absorption cross section of plutonium and the inability to grow the large single crystals (with dimensions of a few millimeters) necessary for inelastic neutron scattering. Theoretical simulations of the Pu PDC continue to be hampered by the lack of suitable inter -atomic potentials. Thus, until recently the PDCs for Pu and its alloys have remained unknown experimentally and theoretically. The experimental limitations have recently been overcome by using a tightly focused undulator x-ray micro-beam scattered from single -grain domains in polycrystalline specimens. This experimental approach has been applied successfully to map the complete PDCs of an fcc d-Pu-Ga alloy using the high resolution inelastic x-ray scattering (HRIXS) capability on ID28. The complete PDCs for an fcc Pu-0.6 wt% Ga alloy are plotted in Figure 2, and represent the first full set of phonon dispersions ever determined for any Pu-bearing materials. The solid curves (red) are calculated using a standard Born-von Karman (B-vK) force constant model. An adequate fit to the experimental data is obtained if interactions up to the fourth-nearest neighbours are included. The dashed curves (blue) are recent dynamical mean field theory (DMFT) results by Dai et al. The elastic moduli calculated from the slopes of the experimental phonon dispersion curves near the {Lambda} point are: C{sub 11} = 35.3 {+-} 1.4 GPa, C{sub 12} = 25.5 {+-} 1.5 GPa and C{sub 44} = 30.53 {+-} 1.1 GPa. These values are in excellent agreement with those of the only other measurement on a similar alloy (1 wt % Ga) using ultrasonic techniques as well as with those recently calculated from a combined DMFT and linear response theory for pure {delta}-Pu. Several unusual features, including a large elastic anisotropy, a small shear elastic modulus C{prime}, a Kohn-like anomaly in the T{sub 1}[011] branch, and a pronounced softening of the [111] transverse modes are found. These features can be related to the phase transitions of plutonium and to strong coupling between the lattice structure and the 5f valence instabilities. The HRIXS results also provide a critical test for theoretical treatments of highly correlated 5f electron systems as exemplified by recent dynamical mean field theory (DMFT) calculations for {delta}-plutonium. The experimental-theoretical agreements shown in Figure 2 in terms of a low shear elastic modulus C{prime}, a Kohn-like anomaly in the T{sub 1}[011] branch, and a large softening of the T[111] modes give credence to the DMFT approach for the theoretical treatment of 5f electron systems of which {delta}-Pu is a classic example. However, quantitative differences remain. These are the position of the Kohn anomaly along the T{sub 1}[011] branch, the energy maximum of the T[111] mode s and the softening of the calculated T[100] branch near the X point, which is not observed experimentally. These differences are significant and thus provide a framework for refined theoretical treatments. Systematic HRIXS experiments as a function of temperature and concentration in the fcc Pu-Ga alloys are underway.« less
Modeling of Diamond Field-Emitter-Arrays for high brightness photocathode applications

NASA Astrophysics Data System (ADS)

Kwan, Thomas; Huang, Chengkun; Piryatinski, Andrei; Lewellen, John; Nichols, Kimberly; Choi, Bo; Pavlenko, Vitaly; Shchegolkov, Dmitry; Nguyen, Dinh; Andrews, Heather; Simakov, Evgenya

2017-10-01

We propose to employ Diamond Field-Emitter-Arrays (DFEAs) as high-current-density ultra-low-emittance photocathodes for compact laser-driven dielectric accelerators capable of generating ultra-high brightness electron beams for advanced applications. We develop a semi-classical Monte-Carlo photoemission model for DFEAs that includes carriers' transport to the emitter surface and tunneling through the surface under external fields. The model accounts for the electronic structure size quantization affecting the transport and tunneling process within the sharp diamond tips. We compare this first principle model with other field emission models, such as the Child-Langmuir and Murphy-Good models. By further including effects of carrier photoexcitation, we perform simulations of the DFEAs' photoemission quantum yield and the emitted electron beam. Details of the theoretical model and validation against preliminary experimental data will be presented. Work ssupported by LDRD program at LANL.
Model study on transesterification of soybean oil to biodiesel with methanol using solid base catalyst.

PubMed

Liu, Xuejun; Piao, Xianglan; Wang, Yujun; Zhu, Shenlin

2010-03-25

Modeling of the transesterification of vegetable oils to biodiesel using a solid base as a catalyst is very important because the mutual solubilities of oil and methanol will increase with the increasing biodiesel yield. The heterogeneous liquid-liquid-solid reaction system would become a liquid-solid system when the biodiesel reaches a certain content. In this work, we adopted a two-film theory and a steady state approximation assumption, then established a heterogeneous liquid-liquid-solid model in the first stage. After the diffusion coefficients on the liquid-liquid interface and the liquid-solid interface were calculated on the basis of the properties of the system, the theoretical value of biodiesel productivity changing with time was obtained. The predicted values were very near the experimental data, which indicated that the proposed models were suitable for the transesterification of soybean oil to biodiesel when solid bases were used as catalysts. Meanwhile, the model indicated that the transesterification reaction was controlled by both mass transfer and reaction. The total resistance will decrease with the increase in biodiesel yield in the liquid-liquid-solid stage. The solid base catalyst exhibited an activation energy range of 9-20 kcal/mol, which was consistent with the reported activation energy range of homogeneous catalysts.
Behavioural modelling of irrigation decision making under water scarcity

NASA Astrophysics Data System (ADS)

Foster, T.; Brozovic, N.; Butler, A. P.

2013-12-01

Providing effective policy solutions to aquifer depletion caused by abstraction for irrigation is a key challenge for socio-hydrology. However, most crop production functions used in hydrological models do not capture the intraseasonal nature of irrigation planning, or the importance of well yield in land and water use decisions. Here we develop a method for determining stochastic intraseasonal water use that is based on observed farmer behaviour but is also theoretically consistent with dynamically optimal decision making. We use the model to (i) analyse the joint land and water use decision by farmers; (ii) to assess changes in behaviour and production risk in response to water scarcity; and (iii) to understand the limits of applicability of current methods in policy design. We develop a biophysical model of water-limited crop yield building on the AquaCrop model. The model is calibrated and applied to case studies of irrigated corn production in Nebraska and Texas. We run the model iteratively, using long-term climate records, to define two formulations of the crop-water production function: (i) the aggregate relationship between total seasonal irrigation and yield (typical of current approaches); and (ii) the stochastic response of yield and total seasonal irrigation to the choice of an intraseasonal soil moisture target and irrigated area. Irrigated area (the extensive margin decision) and per-area irrigation intensity (the intensive margin decision) are then calculated for different seasonal water restrictions (corresponding to regulatory policies) and well yield constraints on intraseasonal abstraction rates (corresponding to aquifer system limits). Profit- and utility-maximising decisions are determined assuming risk neutrality and varying degrees of risk aversion, respectively. Our results demonstrate that the formulation of the production function has a significant impact on the response to water scarcity. For low well yields, which are the major concern for farmers in areas of aquifer depletion or recurrent drought, the stochastic model demonstrates that partial-area irrigation is optimal irrespective of the size of water supply restrictions. This effect is not produced by the aggregate model, which cannot account for the variability of the production function with changes in irrigated area that control intraseasonal irrigation application rates. In addition, the aggregate model overstates the willingness of a risk-averse farmer to adjust on the intensive margin in response to water supply restrictions. This is due to the inability of aggregate models to specify correctly the production risk associated with intensive margin adjustments. Consequently, aggregate models give unrealistic estimates of water demand and underestimate the negative impacts on profitability of declining groundwater resources. Reliance on aggregate models will limit the ability of socio-hydrology to guide policy responses to groundwater scarcity. Our stochastic methodology provides a more realistic tool to study the management of groundwater in coupled human-water systems.
Mass Yields and Average Total Kinetic Energy Release in Fission for 235U, 238U, and 239Pu

NASA Astrophysics Data System (ADS)

Duke, Dana

2015-10-01

Mass yield distributions and average total kinetic energy (TKE) in neutron induced fission of 235U, 238U, and 239Pu targets were measured with a gridded ionization chamber. Despite decades of fission research, our understanding of how fragment mass yields and TKE depend on incident neutron energy is limited, especially at higher energies (above 5-10 MeV). Improved accuracy in these quantities is important for nuclear technology as it enhances our simulation capabilities and increases the confidence in diagnostic tools. The data can also guide and validate theoretical fission models where the correlation between the fragment mass and TKE is of particular value for constraining models. The Los Alamos Neutron Science Center - Weapons Neutron Research (LANSCE - WNR) provides a neutron beam with energies from thermal to hundreds of MeV, well-suited for filling in the gaps in existing data and exploring fission behavior in the fast neutron region. The results of the studies on target nuclei 235U, 238U, and 239Pu will be presented with a focus on exploring data trends as a function of neutron energy from thermal through 30 MeV. Results indicate clear evidence of structure due to multi-chance fission in the TKE . LA-UR-15-24761.
Photoneutron cross sections for 59Co : Systematic uncertainties of data from various experiments

NASA Astrophysics Data System (ADS)

Varlamov, V. V.; Davydov, A. I.; Ishkhanov, B. S.

2017-09-01

Data on partial photoneutron reaction cross sections (γ ,1n), (γ ,2n), and (γ ,3n) for 59Co obtained in two experiments carried out at Livermore (USA) were analyzed. The sources of radiation in both experiments were the monoenergetic photon beams from the annihilation in flight of relativistic positrons. The total yield was sorted by the neutron multiplicity, taking into account the difference in the neutron energy spectra for different multiplicity. The two quoted studies differ in the method of determining the neutron. Significant systematic disagreements between the results of the two experiments exist. They are considered to be caused by large systematic uncertainties in partial cross sections, since they do not satisfy physical criteria for reliability of the data. To obtain reliable cross sections of partial and total photoneutron reactions a new method combining experimental data and theoretical evaluation was used. It is based on the experimental neutron yield cross section which is rather independent of neutron multiplicity and the transitional neutron multiplicity functions of the combined photonucleon reaction model (CPNRM). The model transitional multiplicity functions were used for the decomposition of the neutron yield cross section into the contributions of partial reactions. The results of the new evaluation noticeably differ from the partial cross sections obtained in the two experimental studies are under discussion.
Experimental and theoretical studies of nuclear generation of ozone from oxygen and oxygen-sulfur hexafluoride mixtures

NASA Astrophysics Data System (ADS)

Elsayed-Ali, H. E.; Miley, G. H.

1986-08-01

A series of experimental measurements of the yield of O3 in nuclear-induced O2 and O2-SF6 discharges are reported. The discharges were created by bombardment with energetic particles from the 10B(n,α)7Li reaction. Continuous irradiation at dose rates of 1015-1017 eV cm-3 s-1 and pulsed irradiation (˜10 ms FWHM) at a peak dose rate of ˜1020 eV cm-3 s-1 were conducted. At the lower dose rates, the addition of SF6 generally increased the ozone yield due to the slowing of ozone destruction by negative oxygen and ozone ions. In contrast, at the high dose rates, the ozone concentration decreased due to SF6 suppression of atomic oxygen formation by ion-ion recombination. A numerical model was developed and tested against experimental conditions. This model indicates that the steady-state ozone concentration was limited by the reaction O-3+O3→2O2+O-2 with a rate coefficient of ˜1×10-12 cm3 s-1. In addition to dose rate effects, pressure and temperature effects on ozone production are discussed and methods for increasing the ozone yield are suggested.
Broadband linearisation of high-efficiency power amplifiers

NASA Technical Reports Server (NTRS)

Kenington, Peter B.; Parsons, Kieran J.; Bennett, David W.

1993-01-01

A feedforward-based amplifier linearization technique is presented which is capable of yielding significant improvements in both linearity and power efficiency over conventional amplifier classes (e.g. class-A or class-AB). Theoretical and practical results are presented showing that class-C stages may be used for both the main and error amplifiers yielding practical efficiencies well in excess of 30 percent, with theoretical efficiencies of much greater than 40 percent being possible. The levels of linearity which may be achieved are required for most satellite systems, however if greater linearity is required, the technique may be used in addition to conventional pre-distortion techniques.
(I Can’t Get No) Saturation: A simulation and guidelines for sample sizes in qualitative research

PubMed Central

2017-01-01

I explore the sample size in qualitative research that is required to reach theoretical saturation. I conceptualize a population as consisting of sub-populations that contain different types of information sources that hold a number of codes. Theoretical saturation is reached after all the codes in the population have been observed once in the sample. I delineate three different scenarios to sample information sources: “random chance,” which is based on probability sampling, “minimal information,” which yields at least one new code per sampling step, and “maximum information,” which yields the largest number of new codes per sampling step. Next, I use simulations to assess the minimum sample size for each scenario for systematically varying hypothetical populations. I show that theoretical saturation is more dependent on the mean probability of observing codes than on the number of codes in a population. Moreover, the minimal and maximal information scenarios are significantly more efficient than random chance, but yield fewer repetitions per code to validate the findings. I formulate guidelines for purposive sampling and recommend that researchers follow a minimum information scenario. PMID:28746358
Statistical Deviations From the Theoretical Only-SBU Model to Estimate MCU Rates in SRAMs

NASA Astrophysics Data System (ADS)

Franco, Francisco J.; Clemente, Juan Antonio; Baylac, Maud; Rey, Solenne; Villa, Francesca; Mecha, Hortensia; Agapito, Juan A.; Puchner, Helmut; Hubert, Guillaume; Velazco, Raoul

2017-08-01

This paper addresses a well-known problem that occurs when memories are exposed to radiation: the determination if a bit flip is isolated or if it belongs to a multiple event. As it is unusual to know the physical layout of the memory, this paper proposes to evaluate the statistical properties of the sets of corrupted addresses and to compare the results with a mathematical prediction model where all of the events are single bit upsets. A set of rules easy to implement in common programming languages can be iteratively applied if anomalies are observed, thus yielding a classification of errors quite closer to reality (more than 80% accuracy in our experiments).
Construct Validity of the Autism Impact Measure (AIM).

PubMed

Mazurek, Micah O; Carlson, Coleen; Baker-Ericzén, Mary; Butter, Eric; Norris, Megan; Kanne, Stephen

2018-01-17

The Autism Impact Measure (AIM) was designed to track incremental change in frequency and impact of core ASD symptoms. The current study examined the structural and convergent validity of the AIM in a large sample of children with ASD. The results of a series of exploratory and confirmatory factor analyses yielded a final model with five theoretically and empirically meaningful subdomains: Repetitive Behavior, Atypical Behavior, Communication, Social Reciprocity, and Peer Interaction. The final model showed very good fit both overall and for each of the five factors, indicating excellent structural validity. AIM subdomain scores were significantly correlated with measures of similar constructs across all five domains. The results provide further support for the psychometric properties of the AIM.

Electronic transport with dielectric confinement in degenerate InN nanowires.

PubMed

Blömers, Ch; Lu, J G; Huang, L; Witte, C; Grützmacher, D; Lüth, H; Schäpers, Th

2012-06-13

In this Letter, we present the size effects on charge conduction in InN nanowires by comprehensive transport studies supported by theoretical analysis. A consistent model for highly degenerate narrow gap semiconductor nanowires is developed. In contrast to common knowledge of InN, there is no evidence of an enhanced surface conduction, however, high intrinsic doping exists. Furthermore, the room-temperature resistivity exhibits a strong increase when the lateral size becomes smaller than 80 nm and the temperature dependence changes from metallic to semiconductor-like. This effect is modeled by donor deactivation due to dielectric confinement, yielding a shift of the donor band to higher ionization energies as the size shrinks.
Optimal Tuner Selection for Kalman Filter-Based Aircraft Engine Performance Estimation

NASA Technical Reports Server (NTRS)

Simon, Donald L.; Garg, Sanjay

2010-01-01

A linear point design methodology for minimizing the error in on-line Kalman filter-based aircraft engine performance estimation applications is presented. This technique specifically addresses the underdetermined estimation problem, where there are more unknown parameters than available sensor measurements. A systematic approach is applied to produce a model tuning parameter vector of appropriate dimension to enable estimation by a Kalman filter, while minimizing the estimation error in the parameters of interest. Tuning parameter selection is performed using a multi-variable iterative search routine which seeks to minimize the theoretical mean-squared estimation error. This paper derives theoretical Kalman filter estimation error bias and variance values at steady-state operating conditions, and presents the tuner selection routine applied to minimize these values. Results from the application of the technique to an aircraft engine simulation are presented and compared to the conventional approach of tuner selection. Experimental simulation results are found to be in agreement with theoretical predictions. The new methodology is shown to yield a significant improvement in on-line engine performance estimation accuracy
Theoretical Characterizaiton of Visual Signatures

NASA Astrophysics Data System (ADS)

Kashinski, D. O.; Chase, G. M.; di Nallo, O. E.; Scales, A. N.; Vanderley, D. L.; Byrd, E. F. C.

2015-05-01

We are investigating the accuracy of theoretical models used to predict the visible, ultraviolet, and infrared spectra, as well as other properties, of product materials ejected from the muzzle of currently fielded systems. Recent advances in solid propellants has made the management of muzzle signature (flash) a principle issue in weapons development across the calibers. A priori prediction of the electromagnetic spectra of formulations will allow researchers to tailor blends that yield desired signatures and determine spectrographic detection ranges. Quantum chemistry methods at various levels of sophistication have been employed to optimize molecular geometries, compute unscaled vibrational frequencies, and determine the optical spectra of specific gas-phase species. Electronic excitations are being computed using Time Dependent Density Functional Theory (TD-DFT). A full statistical analysis and reliability assessment of computational results is currently underway. A comparison of theoretical results to experimental values found in the literature is used to assess any affects of functional choice and basis set on calculation accuracy. The status of this work will be presented at the conference. Work supported by the ARL, DoD HPCMP, and USMA.
Dust in Supernovae and Supernova Remnants II: Processing and Survival

NASA Astrophysics Data System (ADS)

Micelotta, E. R.; Matsuura, M.; Sarangi, A.

2018-03-01

Observations have recently shown that supernovae are efficient dust factories, as predicted for a long time by theoretical models. The rapid evolution of their stellar progenitors combined with their efficiency in precipitating refractory elements from the gas phase into dust grains make supernovae the major potential suppliers of dust in the early Universe, where more conventional sources like Asymptotic Giant Branch (AGB) stars did not have time to evolve. However, dust yields inferred from observations of young supernovae or derived from models do not reflect the net amount of supernova-condensed dust able to be expelled from the remnants and reach the interstellar medium. The cavity where the dust is formed and initially resides is crossed by the high velocity reverse shock which is generated by the pressure of the circumstellar material shocked by the expanding supernova blast wave. Depending on grain composition and initial size, processing by the reverse shock may lead to substantial dust erosion and even complete destruction. The goal of this review is to present the state of the art about processing and survival of dust inside supernova remnants, in terms of theoretical modelling and comparison to observations.
Efficacy of cognitive rehabilitation therapies for mild cognitive impairment (MCI) in older adults: Working toward a theoretical model and evidence-based interventions

PubMed Central

Huckans, Marilyn; Hutson, Lee; Twamley, Elizabeth; Jak, Amy; Kaye, Jeffrey; Storzbach, Daniel

2013-01-01

Objective To evaluate the efficacy of cognitive rehabilitation therapies (CRTs) for mild cognitive impairment (MCI). Our review revealed a need for evidence-based treatments for MCI and a lack of a theoretical rehabilitation model to guide the development and evaluation of these interventions. We have thus proposed a theoretical rehabilitation model of MCI that yields key intervention targets - cognitive compromise, functional compromise, neuropsychiatric symptoms, and modifiable risk and protective factors known to be associated with MCI and dementia. Our model additionally defines specific cognitive rehabilitation approaches that may directly or indirectly target key outcomes - restorative cognitive training, compensatory cognitive training, lifestyle interventions, and psychotherapeutic techniques. Methods Fourteen randomized controlled trials met inclusion criteria and were reviewed. Results Studies markedly varied in terms of intervention approaches and selected outcome measures and were frequently hampered by design limitations. The bulk of the evidence suggested that CRTs can change targeted behaviors in individuals with MCI and that CRTs are associated with improvements in objective cognitive performance, but the pattern of effects on specific cognitive domains was inconsistent across studies. Other important outcomes (i.e., daily functioning, quality of life, neuropsychiatric symptom severity) were infrequently assessed across studies. Few studies evaluated long-term outcomes or the impact of CRTs on conversion rates from MCI to dementia or normal cognition. Conclusions Overall, results from trials are promising but inconclusive. Additional well-designed and adequately powered trials are warranted and required before CRTs for MCI can be considered evidence based. PMID:23471631
Probability Density Functions of the Solar Wind Driver of the Magnetopshere-Ionosphere System

NASA Astrophysics Data System (ADS)

Horton, W.; Mays, M. L.

2007-12-01

The solar-wind driven magnetosphere-ionosphere system is a complex dynamical system in that it exhibits (1) sensitivity to initial conditions; (2) multiple space-time scales; (3) bifurcation sequences with hysteresis in transitions between attractors; and (4) noncompositionality. This system is modeled by WINDMI--a network of eight coupled ordinary differential equations which describe the transfer of power from the solar wind through the geomagnetic tail, the ionosphere, and ring current in the system. The model captures both storm activity from the plasma ring current energy, which yields a model Dst index result, and substorm activity from the region 1 field aligned current, yielding model AL and AU results. The input to the model is the solar wind driving voltage calculated from ACE solar wind parameter data, which has a regular coherent component and broad-band turbulent component. Cross correlation functions of the input-output data time series are computed and the conditional probability density function for the occurrence of substorms given earlier IMF conditions are derived. The model shows a high probability of substorms for solar activity that contains a coherent, rotating IMF with magnetic cloud features. For a theoretical model of the imprint of solar convection on the solar wind we have used the Lorenz attractor (Horton et al., PoP, 1999, doi:10.10631.873683) as a solar wind driver. The work is supported by NSF grant ATM-0638480.
ISSLS prize winner: integrating theoretical and experimental methods for functional tissue engineering of the annulus fibrosus.

PubMed

Nerurkar, Nandan L; Mauck, Robert L; Elliott, Dawn M

2008-12-01

Integrating theoretical and experimental approaches for annulus fibrosus (AF) functional tissue engineering. Apply a hyperelastic constitutive model to characterize the evolution of engineered AF via scalar model parameters. Validate the model and predict the response of engineered constructs to physiologic loading scenarios. There is need for a tissue engineered replacement for degenerate AF. When evaluating engineered replacements for load-bearing tissues, it is necessary to evaluate mechanical function with respect to the native tissue, including nonlinearity and anisotropy. Aligned nanofibrous poly-epsilon-caprolactone scaffolds with prescribed fiber angles were seeded with bovine AF cells and analyzed over 8 weeks, using experimental (mechanical testing, biochemistry, histology) and theoretical methods (a hyperelastic fiber-reinforced constitutive model). The linear region modulus for phi = 0 degrees constructs increased by approximately 25 MPa, and for phi = 90 degrees by approximately 2 MPa from 1 day to 8 weeks in culture. Infiltration and proliferation of AF cells into the scaffold and abundant deposition of s-GAG and aligned collagen was observed. The constitutive model had excellent fits to experimental data to yield matrix and fiber parameters that increased with time in culture. Correlations were observed between biochemical measures and model parameters. The model was successfully validated and used to simulate time-varying responses of engineered AF under shear and biaxial loading. AF cells seeded on nanofibrous scaffolds elaborated an organized, anisotropic AF-like extracellular matrix, resulting in improved mechanical properties. A hyperelastic fiber-reinforced constitutive model characterized the functional evolution of engineered AF constructs, and was used to simulate physiologically relevant loading configurations. Model predictions demonstrated that fibers resist shear even when the shearing direction does not coincide with the fiber direction. Further, the model suggested that the native AF fiber architecture is uniquely designed to support shear stresses encountered under multiple loading configurations.
Electronic structure and photochemistry of squaraine dyes: basic theoretical analysis and direct detection of the photoisomer of a symmetrical squarylium cyanine.

PubMed

Momicchioli, Fabio; Tatikolov, Aleksandr S; Vanossi, Davide; Ponterini, Glauco

2004-04-01

The photoisomerization kinetics of a squaraine dye has been the object both of experimental investigation and of interpretation in the framework of a qualitative theoretical model formulated by the aid of simple HMO calculations and orbital symmetry considerations. Such a model has first confirmed that the electronic structure and the spectroscopic properties of symmetrical squaraines are related to those of the parent cyanines, with ketocyanines as intermediate systems. Extension of the approach to structures twisted by 90[degree] about a polymethine bond has then provided insight into the electronic aspects and the mechanism of the photoisomerization of the squaraine under study. The reaction, previously indirectly investigated by fluorescence analysis, has been directly monitored by laser flash photolysis. These experiments indicate that, while photoisomerization is likely the main radiationless decay route from the spectroscopic minimum of the lowest excited singlet state (S(1)), the cis photoisomer is produced with only a 1% yield, likely because of an unfavourable cis/trans branching ratio from the perpendicular minimum of the S(1)-state potential energy surface. In contrast with what found for symmetrical cyanines, an increase in the solvent polarity was found to accelerate both the direct, excited-state reaction and, to a much larger extent, the ground-state back-isomerization. Such observations are consistent with predictions of the theoretical model and provide a clue for the identification of the isomerization coordinate.
Synthesis and amino acids complexation of tripodal hexasubstituted benzene chiral receptors

NASA Astrophysics Data System (ADS)

Choksakulporn, Saowanaporn; Punkvang, Auradee; Sritana-anant, Yongsak

2015-02-01

The parent 1,3,5-triacetyl-2,4,6-trihydroxybenzene was prepared in up to 91% yield using a one-pot, one step reaction catalyzed by aluminum chloride. Its alkylations with 1,5-dibromopentane generated a symmetric tripodal hexasubstituted benzene precursor in the alternated conformer predicted by a theoretical calculation. Subsequent substitutions and reductions provided the corresponding tris-amine in 59% yield. Aminations of the tripodal precursor with (R)-(+)-1-phenylethylamine obtained a chiral tris-amine ligand in 44% yield. 1H NMR titrations of this ligand with each of three L-amino acid derivatives as guest molecules confirmed the presence of their complexes, in which the complex with alanine derivative displayed the strongest interactions with the ligand. Job plots suggested that all complexes composed of 1:2 ratios of the ligand and these guests. Theoretical calculations additionally revealed the structures and the associated binding parameters of the complexes.
High temperature dilute acid pretreatment of coastal Bermuda grass for enzymatic hydrolysis.

PubMed

Redding, Arthur P; Wang, Ziyu; Keshwani, Deepak R; Cheng, Jay J

2011-01-01

Dilute sulfuric acid was used to pretreat coastal Bermuda grass at high temperature prior to enzymatic hydrolysis. After both pretreatment and enzymatic hydrolysis processes, the highest yield of total sugars (combined xylose and glucose) was 97% of the theoretical value. The prehydrolyzate liquor was analyzed for inhibitory compounds (furfural, hydroxymethylfurfural (HMF)) in order to assess potential risk for inhibition during the following fermentation. Accounting for the formation of the inhibitory compounds, a pretreatment with 1.2% acid at 140 °C for 30 min with a total sugar yield of 94% of the theoretical value may be more favorable for fermentation. From this study, it can be concluded that dilute sulfuric acid pretreatment can be successfully applied to coastal Bermuda grass to achieve high yields of monomeric glucose and xylose with acceptable levels of inhibitory compound formation. Copyright Â© 2010 Elsevier Ltd. All rights reserved.
Experimental Investigation on the Mechanical Instability of Superelastic NiTi Shape Memory Alloy

NASA Astrophysics Data System (ADS)

Xiao, Yao; Zeng, Pan; Lei, Liping

2016-09-01

In this paper, primary attention is paid to the mechanical instability of superelastic NiTi shape memory alloy (SMA) during localized forward transformation at different temperatures. By inhibiting the localized phase transformation, we can obtain the up-down-up mechanical response of NiTi SMA, which is closely related to the intrinsic material softening during localized martensitic transformation. Furthermore, the material parameters of the up-down-up stress-strain curve are extracted, in such a way that this database can be utilized for simulation and validation of the theoretical analysis. It is found that during forward transformation, the upper yield stress, lower yield stress, Maxwell stress, and nucleation stress of NiTi SMA exhibit linear dependence on temperature. The relation between nucleation stress and temperature can be explained by the famous Clausius-Clapeyron equation, while the relation between upper/lower yield stress and temperature lacks theoretical study, which needs further investigation.
Theoretical Development of an Orthotropic Elasto-Plastic Generalized Composite Material Model

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Carney, Kelly S.; DuBois, Paul; Hoffarth, Canio; Harrington, Joseph; Subramanian, Rajan; Blankenhorn, Gunther

2014-01-01

The need for accurate material models to simulate the deformation, damage and failure of polymer matrix composites is becoming critical as these materials are gaining increased usage in the aerospace and automotive industries. While there are several composite material models currently available within LS-DYNA (Registered), there are several features that have been identified that could improve the predictive capability of a composite model. To address these needs, a combined plasticity and damage model suitable for use with both solid and shell elements is being developed and is being implemented into LS-DYNA as MAT_213. A key feature of the improved material model is the use of tabulated stress-strain data in a variety of coordinate directions to fully define the stress-strain response of the material. To date, the model development efforts have focused on creating the plasticity portion of the model. The Tsai-Wu composite failure model has been generalized and extended to a strain-hardening based orthotropic material model with a non-associative flow rule. The coefficients of the yield function, and the stresses to be used in both the yield function and the flow rule, are computed based on the input stress-strain curves using the effective plastic strain as the tracking variable. The coefficients in the flow rule are computed based on the obtained stress-strain data. The developed material model is suitable for implementation within LS-DYNA for use in analyzing the nonlinear response of polymer composites.
Constitutive modeling and structural analysis considering simultaneous phase transformation and plastic yield in shape memory alloys

NASA Astrophysics Data System (ADS)

Hartl, D. J.; Lagoudas, D. C.

2009-10-01

The new developments summarized in this work represent both theoretical and experimental investigations of the effects of plastic strain generation in shape memory alloys (SMAs). Based on the results of SMA experimental characterization described in the literature and additional testing described in this work, a new 3D constitutive model is proposed. This phenomenological model captures both the conventional shape memory effects of pseudoelasticity and thermal strain recovery, and additionally considers the initiation and evolution of plastic strains. The model is numerically implemented in a finite element framework using a return mapping algorithm to solve the constitutive equations at each material point. This combination of theory and implementation is unique in its ability to capture the simultaneous evolution of recoverable transformation strains and irrecoverable plastic strains. The consideration of isotropic and kinematic plastic hardening allows the derivation of a theoretical framework capturing the interactions between irrecoverable plastic strain and recoverable strain due to martensitic transformation. Further, the numerical integration of the constitutive equations is formulated such that objectivity is maintained for SMA structures undergoing moderate strains and large displacements. The implemented model has been used to perform 3D analysis of SMA structural components under uniaxial and bending loads, including a case of local buckling behavior. Experimentally validated results considering simultaneous transformation and plasticity in a bending member are provided, illustrating the predictive accuracy of the model and its implementation.
A theoretical framework to model DSC-MRI data acquired in the presence of contrast agent extravasation

NASA Astrophysics Data System (ADS)

Quarles, C. C.; Gochberg, D. F.; Gore, J. C.; Yankeelov, T. E.

2009-10-01

Dynamic susceptibility contrast (DSC) MRI methods rely on compartmentalization of the contrast agent such that a susceptibility gradient can be induced between the contrast-containing compartment and adjacent spaces, such as between intravascular and extravascular spaces. When there is a disruption of the blood-brain barrier, as is frequently the case with brain tumors, a contrast agent leaks out of the vasculature, resulting in additional T1, T2 and T*2 relaxation effects in the extravascular space, thereby affecting the signal intensity time course and reducing the reliability of the computed hemodynamic parameters. In this study, a theoretical model describing these dynamic intra- and extravascular T1, T2 and T*2 relaxation interactions is proposed. The applicability of using the proposed model to investigate the influence of relevant MRI pulse sequences (e.g. echo time, flip angle), and physical (e.g. susceptibility calibration factors, pre-contrast relaxation rates) and physiological parameters (e.g. permeability, blood flow, compartmental volume fractions) on DSC-MRI signal time curves is demonstrated. Such a model could yield important insights into the biophysical basis of contrast-agent-extravasastion-induced effects on measured DSC-MRI signals and provide a means to investigate pulse sequence optimization and appropriate data analysis methods for the extraction of physiologically relevant imaging metrics.
Theoretical study and control optimization of an integrated pest management predator-prey model with power growth rate.

PubMed

Sun, Kaibiao; Zhang, Tonghua; Tian, Yuan

2016-09-01

This work presents a pest control predator-prey model, where rate of change in prey density follows a scaling law with exponent less than one and the control is by an integrated management strategy. The aim is to investigate the change in system dynamics and determine a pest control level with minimum control price. First, the dynamics of the proposed model without control is investigated by taking the exponent as an index parameter. And then, to determine the frequency of spraying chemical pesticide and yield releases of the predator, the existence of the order-1 periodic orbit of the control system is discussed in cases. Furthermore, to ensure a certain robustness of the adopted control, i.e., for an inaccurately detected species density or a deviation, the control system could be stabilized at the order-1 periodic orbit, the stability of the order-1 periodic orbit is verified by an stability criterion for a general semi-continuous dynamical system. In addition, to minimize the total cost input in pest control, an optimization problem is formulated and the optimum pest control level is obtained. At last, the numerical simulations with a specific model are carried out to complement the theoretical results. Copyright © 2016 Elsevier Inc. All rights reserved.
High-intensity sound in air saturated fibrous bulk porous materials

NASA Technical Reports Server (NTRS)

Kuntz, H. L., II

1982-01-01

The interaction high-intensity sound with bulk porous materials in porous materials including Kevlar 29 is reported. The nonlinear behavior of the materials was described by dc flow resistivity tests. Then acoustic propagation and reflection were measured and small signal broadband measurements of phase speed and attenuation were carried out. High-intensity tests were made with 1, 2, and 3 kHz tone bursts to measure harmonic generation and extra attenuation of the fundamental. Small signal standing wave tests measured impedence between 0.1 and 3.5 kHz. High level tests with single cycle tone bursts at 1 to 4 kHz show that impedance increases with intensity. A theoretical analysis is presented for high-porosity, rigid-frame, isothermal materials. One dimensional equations of motion are derived and solved by perturbation. The experiments show that there is excess attenuation of the fundamental component and in some cases a close approach to saturation. A separate theoretical model, developed to explain the excess attenuation, yields predictions that are in good agreement with the measurements. Impedance and attenuation at high intensities are modeled.
Plasmon-enhanced optical bending and heating on V-shaped deformation of gold nanorod

NASA Astrophysics Data System (ADS)

Liaw, Jiunn-Woei; Huang, Cheng-Wei; Huang, Mao-Chang; Kuo, Mao-Kuen

2018-01-01

The plasmon-enhanced optical bending and heating on the V-shaped deformation of a straight gold nanorod (GNR), irradiated by a linear polarized light at the longitudinal surface plasmon resonance, are studied theoretically to explain the finding in previous experiment. Multiple multipole method is employed to calculate the optical load and heating numerically, and an elastic beam model is used to analyze the bending moment and stress in the GNR theoretically. According to our analysis, we think, first, the plasmonic heating softens the GNR to reduce the yield strength of gold, and the non-uniform optical load induces a maximum bending moment at the middle cross section of a freestanding GNR. Then an irreversible breakpoint of the plastic hinge at the middle of GNR is developed to form a V-shaped GNR. The photothermal deformation of V-shaped GNR involving multidisciplinary interplay is worth for further investigation.
Beyond Λ CDM: Problems, solutions, and the road ahead

NASA Astrophysics Data System (ADS)

Bull, Philip; Akrami, Yashar; Adamek, Julian; Baker, Tessa; Bellini, Emilio; Beltrán Jiménez, Jose; Bentivegna, Eloisa; Camera, Stefano; Clesse, Sébastien; Davis, Jonathan H.; Di Dio, Enea; Enander, Jonas; Heavens, Alan; Heisenberg, Lavinia; Hu, Bin; Llinares, Claudio; Maartens, Roy; Mörtsell, Edvard; Nadathur, Seshadri; Noller, Johannes; Pasechnik, Roman; Pawlowski, Marcel S.; Pereira, Thiago S.; Quartin, Miguel; Ricciardone, Angelo; Riemer-Sørensen, Signe; Rinaldi, Massimiliano; Sakstein, Jeremy; Saltas, Ippocratis D.; Salzano, Vincenzo; Sawicki, Ignacy; Solomon, Adam R.; Spolyar, Douglas; Starkman, Glenn D.; Steer, Danièle; Tereno, Ismael; Verde, Licia; Villaescusa-Navarro, Francisco; von Strauss, Mikael; Winther, Hans A.

2016-06-01

Despite its continued observational successes, there is a persistent (and growing) interest in extending cosmology beyond the standard model, Λ CDM. This is motivated by a range of apparently serious theoretical issues, involving such questions as the cosmological constant problem, the particle nature of dark matter, the validity of general relativity on large scales, the existence of anomalies in the CMB and on small scales, and the predictivity and testability of the inflationary paradigm. In this paper, we summarize the current status of Λ CDM as a physical theory, and review investigations into possible alternatives along a number of different lines, with a particular focus on highlighting the most promising directions. While the fundamental problems are proving reluctant to yield, the study of alternative cosmologies has led to considerable progress, with much more to come if hopes about forthcoming high-precision observations and new theoretical ideas are fulfilled.
A study of thin liquid sheet flows

NASA Technical Reports Server (NTRS)

Chubb, Donald L.; Calfo, Frederick D.; Mcconley, Marc W.; Mcmaster, Matthew S.; Afjeh, Abdollah A.

1993-01-01

This study was a theoretical and experimental investigation of thin liquid sheet flows in vacuum. A sheet flow created by a narrow slit of width, W, coalesces to a point at a distance, L, as a result of surface tension forces acting at the sheet edges. As the flow coalesces, the fluid accumulates in the sheet edges. The observed triangular shape of the sheet agrees with the calculated triangular result. Experimental results for L/W as a function of Weber number, We, agree with the calculated result, L/W = the sq. root of 8We. The edge cross sectional shape is found to oscillate from elliptic to 'cigar' like to 'peanut' like and then back to elliptic in the flow direction. A theoretical one-dimensional model was developed that yielded only elliptic solutions for the edge cross section. At the points where the elliptic shapes occur, there is agreement between theory and experiment.
The Quantum and Fluid Mechanics of Global Warming

NASA Astrophysics Data System (ADS)

Marston, Brad

2008-03-01

Quantum physics and fluid mechanics are the foundation of any understanding of the Earth's climate. In this talk I invoke three well-known aspects of quantum mechanics to explore what will happen as the concentrations of greenhouse gases such as carbon dioxide continue to increase. Fluid dynamical models of the Earth's atmosphere, demonstrated here in live simulations, yield further insight into past, present, and future climates. Statistics of geophysical flows can, however, be ascertained directly without recourse to numerical simulation, using concepts borrowed from nonequilibrium statistical mechanicsootnotetextJ. B. Marston, E. Conover, and Tapio Schneider, ``Statistics of an Unstable Barotropic Jet from a Cumulant Expansion,'' arXiv:0705.0011, J. Atmos. Sci. (in press).. I discuss several other ways that theoretical physics may be able to contribute to a deeper understanding of climate changeootnotetextJ. Carlson, J. Harte, G. Falkovich, J. B. Marston, and R. Pierrehumbert, ``Physics of Climate Change'' 2008 Program of the Kavli Institute for Theoretical Physics..

The halogen bond: Nature and applications

NASA Astrophysics Data System (ADS)

Costa, Paulo J.

2017-10-01

The halogen bond, corresponding to an attractive interaction between an electrophilic region in a halogen (X) and a nucleophile (B) yielding a R-X⋯B contact, found applications in many fields such as supramolecular chemistry, crystal engineering, medicinal chemistry, and chemical biology. Their large range of applications also led to an increased interest in their study using computational methods aiming not only at understanding the phenomena at a fundamental level, but also to help in the interpretation of results and guide the experimental work. Herein, a succinct overview of the recent theoretical and experimental developments is given starting by discussing the nature of the halogen bond and the latest theoretical insights on this topic. Then, the effects of the surrounding environment on halogen bonds are presented followed by a presentation of the available method benchmarks. Finally, recent experimental applications where the contribution of computational chemistry was fundamental are discussed, thus highlighting the synergy between the lab and modeling techniques.
Using Epidemiological Principles to Explain Fungicide Resistance Management Tactics: Why do Mixtures Outperform Alternations?

PubMed

Elderfield, James A D; Lopez-Ruiz, Francisco J; van den Bosch, Frank; Cunniffe, Nik J

2018-07-01

Whether fungicide resistance management is optimized by spraying chemicals with different modes of action as a mixture (i.e., simultaneously) or in alternation (i.e., sequentially) has been studied by experimenters and modelers for decades. However, results have been inconclusive. We use previously parameterized and validated mathematical models of wheat Septoria leaf blotch and grapevine powdery mildew to test which tactic provides better resistance management, using the total yield before resistance causes disease control to become economically ineffective ("lifetime yield") to measure effectiveness. We focus on tactics involving the combination of a low-risk and a high-risk fungicide, and the case in which resistance to the high-risk chemical is complete (i.e., in which there is no partial resistance). Lifetime yield is then optimized by spraying as much low-risk fungicide as is permitted, combined with slightly more high-risk fungicide than needed for acceptable initial disease control, applying these fungicides as a mixture. That mixture rather than alternation gives better performance is invariant to model parameterization and structure, as well as the pathosystem in question. However, if comparison focuses on other metrics, e.g., lifetime yield at full label dose, either mixture or alternation can be optimal. Our work shows how epidemiological principles can explain the evolution of fungicide resistance, and also highlights a theoretical framework to address the question of whether mixture or alternation provides better resistance management. It also demonstrates that precisely how spray tactics are compared must be given careful consideration. [Formula: see text] Copyright © 2018 The Author(s). This is an open access article distributed under the CC BY 4.0 International license .
Drought effects on composition and yield for corn stover, mixed grasses, and Miscanthus as bioenergy feedstocks

USDA-ARS?s Scientific Manuscript database

Drought conditions in 2012 were some of the most severe in recent history. The purpose of this study was to examine the impact of drought on quality, quantity, and theoretical ethanol yield (TEY) of three bioenergy feedstocks, corn stover, mixed perennial grasses from Conservation Reserve Program de...
Lattice QCD and the unitarity triangle

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

Andreas S Kronfeld

2001-12-03

Theoretical and computational advances in lattice calculations are reviewed, with focus on examples relevant to the unitarity triangle of the CKM matrix. Recent progress in semi-leptonic form factors for B {yields} {pi}/v and B {yields} D*lv, as well as the parameter {zeta} in B{sup 0}-{bar B}{sup 0} mixing, are highlighted.
Production of oxalic acid from sugar beet molasses by formed nitrogen oxides.

PubMed

Gürü, M; Bilgesü, A Y; Pamuk, V

2001-03-01

Production of oxalic acid from sugar beet molasses was developed in a series of three reactors. Nitrogen oxides formed were used to manufacture oxalic acid in the second and third reactor. Parameters affecting the reaction were determined to be, air flow rate, temperature, the amount of V2O5 catalyst and the concentrations of molasses and H2SO4. The maximum yields in the second and third reactors were 78.9% and 74.6% of theoretical yield, respectively. Also, kinetic experiments were performed and the first-order rate constants were determined for the glucose consumption rate. Nitrogen oxides in off-gases from the final reactor were absorbed in water and concentrated sulphuric acid and reused in the following reactors giving slightly lower yields under similar conditions. In this novel way, it was possible to recover NO(x) and to prevent air pollution. Meanwhile, it was possible to reduce the unit cost of reactant for oxalic acid production. A maximum 77.5% and 74.1% of theoretical yield was obtained by using the absorption solutions with NO(x).
Model of chromosomal loci dynamics in bacteria as fractional diffusion with intermittent transport

NASA Astrophysics Data System (ADS)

Gherardi, Marco; Calabrese, Ludovico; Tamm, Mikhail; Cosentino Lagomarsino, Marco

2017-10-01

The short-time dynamics of bacterial chromosomal loci is a mixture of subdiffusive and active motion, in the form of rapid relocations with near-ballistic dynamics. While previous work has shown that such rapid motions are ubiquitous, we still have little grasp on their physical nature, and no positive model is available that describes them. Here, we propose a minimal theoretical model for loci movements as a fractional Brownian motion subject to a constant but intermittent driving force, and compare simulations and analytical calculations to data from high-resolution dynamic tracking in E. coli. This analysis yields the characteristic time scales for intermittency. Finally, we discuss the possible shortcomings of this model, and show that an increase in the effective local noise felt by the chromosome associates to the active relocations.
Resonant Scanning with Large Field of View Reduces Photobleaching and Enhances Fluorescence Yield in STED Microscopy.

PubMed

Wu, Yong; Wu, Xundong; Lu, Rong; Zhang, Jin; Toro, Ligia; Stefani, Enrico

2015-10-01

Photobleaching is a major limitation of superresolution Stimulated Depletion Emission (STED) microscopy. Fast scanning has long been considered an effective means to reduce photobleaching in fluorescence microscopy, but a careful quantitative study of this issue is missing. In this paper, we show that the photobleaching rate in STED microscopy can be slowed down and the fluorescence yield be enhanced by scanning with high speed, enabled by using large field of view in a custom-built resonant-scanning STED microscope. The effect of scanning speed on photobleaching and fluorescence yield is more remarkable at higher levels of depletion laser irradiance, and virtually disappears in conventional confocal microscopy. With ≥6 GW∙cm(-2) depletion irradiance, we were able to extend the fluorophore survival time of Atto 647N and Abberior STAR 635P by ~80% with 8-fold wider field of view. We confirm that STED Photobleaching is primarily caused by the depletion light acting upon the excited fluorophores. Experimental data agree with a theoretical model. Our results encourage further increasing the linear scanning speed for photobleaching reduction in STED microscopy.
Co-solvent pretreatment reduces costly enzyme requirements for high sugar and ethanol yields from lignocellulosic biomass.

PubMed

Nguyen, Thanh Yen; Cai, Charles M; Kumar, Rajeev; Wyman, Charles E

2015-05-22

We introduce a new pretreatment called co-solvent-enhanced lignocellulosic fractionation (CELF) to reduce enzyme costs dramatically for high sugar yields from hemicellulose and cellulose, which is essential for the low-cost conversion of biomass to fuels. CELF employs THF miscible with aqueous dilute acid to obtain up to 95 % theoretical yield of glucose, xylose, and arabinose from corn stover even if coupled with enzymatic hydrolysis at only 2 mgenzyme gglucan (-1) . The unusually high saccharification with such low enzyme loadings can be attributed to a very high lignin removal, which is supported by compositional analysis, fractal kinetic modeling, and SEM imaging. Subsequently, nearly pure lignin product can be precipitated by the evaporation of volatile THF for recovery and recycling. Simultaneous saccharification and fermentation of CELF-pretreated solids with low enzyme loadings and Saccharomyces cerevisiae produced twice as much ethanol as that from dilute-acid-pretreated solids if both were optimized for corn stover. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Evaluating the Impacts of an Agricultural Water Market in the Guadalupe River Basin, Texas: An Agent-based Modeling Approach

NASA Astrophysics Data System (ADS)

Du, E.; Cai, X.; Minsker, B. S.

2014-12-01

Agriculture comprises about 80 percent of the total water consumption in the US. Under conditions of water shortage and fully committed water rights, market-based water allocations could be promising instruments for agricultural water redistribution from marginally profitable areas to more profitable ones. Previous studies on water market have mainly focused on theoretical or statistical analysis. However, how water users' heterogeneous physical attributes and decision rules about water use and water right trading will affect water market efficiency has been less addressed. In this study, we developed an agent-based model to evaluate the benefits of an agricultural water market in the Guadalupe River Basin during drought events. Agricultural agents with different attributes (i.e., soil type for crops, annual water diversion permit and precipitation) are defined to simulate the dynamic feedback between water availability, irrigation demand and water trading activity. Diversified crop irrigation rules and water bidding rules are tested in terms of crop yield, agricultural profit, and water-use efficiency. The model was coupled with a real-time hydrologic model and run under different water scarcity scenarios. Preliminary results indicate that an agricultural water market is capable of increasing crop yield, agricultural profit, and water-use efficiency. This capability is more significant under moderate drought scenarios than in mild and severe drought scenarios. The water market mechanism also increases agricultural resilience to climate uncertainty by reducing crop yield variance in drought events. The challenges of implementing an agricultural water market under climate uncertainty are also discussed.
Micro-mechanics of electrostatically stabilized suspensions of cellulose nanofibrils under steady state shear flow.

PubMed

Martoïa, F; Dumont, P J J; Orgéas, L; Belgacem, M N; Putaux, J-L

2016-02-14

In this study, we characterized and modeled the rheology of TEMPO-oxidized cellulose nanofibril (NFC) aqueous suspensions with electrostatically stabilized and unflocculated nanofibrous structures. These colloidal suspensions of slender and wavy nanofibers exhibited a yield stress and a shear thinning behavior at low and high shear rates, respectively. Both the shear yield stress and the consistency of these suspensions were power-law functions of the NFC volume fraction. We developed an original multiscale model for the prediction of the rheology of these suspensions. At the nanoscale, the suspensions were described as concentrated systems where NFCs interacted with the Newtonian suspending fluid through Brownian motion and long range fluid-NFC hydrodynamic interactions, as well as with each other through short range hydrodynamic and repulsive colloidal interaction forces. These forces were estimated using both the experimental results and 3D networks of NFCs that were numerically generated to mimic the nanostructures of NFC suspensions under shear flow. They were in good agreement with theoretical and measured forces for model colloidal systems. The model showed the primary role played by short range hydrodynamic and colloidal interactions on the rheology of NFC suspensions. At low shear rates, the origin of the yield stress of NFC suspensions was attributed to the combined contribution of repulsive colloidal interactions and the topology of the entangled NFC networks in the suspensions. At high shear rates, both concurrent colloidal and short (in some cases long) range hydrodynamic interactions could be at the origin of the shear thinning behavior of NFC suspensions.
Nascent energy distribution of the Criegee intermediate CH2OO from direct dynamics calculations of primary ozonide dissociation.

PubMed

Pfeifle, Mark; Ma, Yong-Tao; Jasper, Ahren W; Harding, Lawrence B; Hase, William L; Klippenstein, Stephen J

2018-05-07

Ozonolysis produces chemically activated carbonyl oxides (Criegee intermediates, CIs) that are either stabilized or decompose directly. This branching has an important impact on atmospheric chemistry. Prior theoretical studies have employed statistical models for energy partitioning to the CI arising from dissociation of the initially formed primary ozonide (POZ). Here, we used direct dynamics simulations to explore this partitioning for decomposition of c-C 2 H 4 O 3 , the POZ in ethylene ozonolysis. A priori estimates for the overall stabilization probability were then obtained by coupling the direct dynamics results with master equation simulations. Trajectories were initiated at the concerted cycloreversion transition state, as well as the second transition state of a stepwise dissociation pathway, both leading to a CI (H 2 COO) and formaldehyde (H 2 CO). The resulting CI energy distributions were incorporated in master equation simulations of CI decomposition to obtain channel-specific stabilized CI (sCI) yields. Master equation simulations of POZ formation and decomposition, based on new high-level electronic structure calculations, were used to predict yields for the different POZ decomposition channels. A non-negligible contribution of stepwise POZ dissociation was found, and new mechanistic aspects of this pathway were elucidated. By combining the trajectory-based channel-specific sCI yields with the channel branching fractions, an overall sCI yield of (48 ± 5)% was obtained. Non-statistical energy release was shown to measurably affect sCI formation, with statistical models predicting significantly lower overall sCI yields (∼30%). Within the range of experimental literature values (35%-54%), our trajectory-based calculations favor those clustered at the upper end of the spectrum.
Nascent energy distribution of the Criegee intermediate CH2OO from direct dynamics calculations of primary ozonide dissociation

NASA Astrophysics Data System (ADS)

Pfeifle, Mark; Ma, Yong-Tao; Jasper, Ahren W.; Harding, Lawrence B.; Hase, William L.; Klippenstein, Stephen J.

2018-05-01

Ozonolysis produces chemically activated carbonyl oxides (Criegee intermediates, CIs) that are either stabilized or decompose directly. This branching has an important impact on atmospheric chemistry. Prior theoretical studies have employed statistical models for energy partitioning to the CI arising from dissociation of the initially formed primary ozonide (POZ). Here, we used direct dynamics simulations to explore this partitioning for decomposition of c-C2H4O3, the POZ in ethylene ozonolysis. A priori estimates for the overall stabilization probability were then obtained by coupling the direct dynamics results with master equation simulations. Trajectories were initiated at the concerted cycloreversion transition state, as well as the second transition state of a stepwise dissociation pathway, both leading to a CI (H2COO) and formaldehyde (H2CO). The resulting CI energy distributions were incorporated in master equation simulations of CI decomposition to obtain channel-specific stabilized CI (sCI) yields. Master equation simulations of POZ formation and decomposition, based on new high-level electronic structure calculations, were used to predict yields for the different POZ decomposition channels. A non-negligible contribution of stepwise POZ dissociation was found, and new mechanistic aspects of this pathway were elucidated. By combining the trajectory-based channel-specific sCI yields with the channel branching fractions, an overall sCI yield of (48 ± 5)% was obtained. Non-statistical energy release was shown to measurably affect sCI formation, with statistical models predicting significantly lower overall sCI yields (˜30%). Within the range of experimental literature values (35%-54%), our trajectory-based calculations favor those clustered at the upper end of the spectrum.
DEVELOPMENT OF PLASTICITY MODEL USING NON ASSOCIATED FLOW RULE FOR HCP MATERIALS INCLUDING ZIRCONIUM FOR NUCLEAR APPLICATIONS

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

Michael V. Glazoff; Jeong-Whan Yoon

2013-08-01

In this report (prepared in collaboration with Prof. Jeong Whan Yoon, Deakin University, Melbourne, Australia) a research effort was made to develop a non associated flow rule for zirconium. Since Zr is a hexagonally close packed (hcp) material, it is impossible to describe its plastic response under arbitrary loading conditions with any associated flow rule (e.g. von Mises). As a result of strong tension compression asymmetry of the yield stress and anisotropy, zirconium displays plastic behavior that requires a more sophisticated approach. Consequently, a new general asymmetric yield function has been developed which accommodates mathematically the four directional anisotropies alongmore » 0 degrees, 45 degrees, 90 degrees, and biaxial, under tension and compression. Stress anisotropy has been completely decoupled from the r value by using non associated flow plasticity, where yield function and plastic potential have been treated separately to take care of stress and r value directionalities, respectively. This theoretical development has been verified using Zr alloys at room temperature as an example as these materials have very strong SD (Strength Differential) effect. The proposed yield function reasonably well models the evolution of yield surfaces for a zirconium clock rolled plate during in plane and through thickness compression. It has been found that this function can predict both tension and compression asymmetry mathematically without any numerical tolerance and shows the significant improvement compared to any reported functions. Finally, in the end of the report, a program of further research is outlined aimed at constructing tensorial relationships for the temperature and fluence dependent creep surfaces for Zr, Zircaloy 2, and Zircaloy 4.« less
Monte Carlo based protocol for cell survival and tumour control probability in BNCT.

PubMed

Ye, S J

1999-02-01

A mathematical model to calculate the theoretical cell survival probability (nominally, the cell survival fraction) is developed to evaluate preclinical treatment conditions for boron neutron capture therapy (BNCT). A treatment condition is characterized by the neutron beam spectra, single or bilateral exposure, and the choice of boron carrier drug (boronophenylalanine (BPA) or boron sulfhydryl hydride (BSH)). The cell survival probability defined from Poisson statistics is expressed with the cell-killing yield, the 10B(n,alpha)7Li reaction density, and the tolerable neutron fluence. The radiation transport calculation from the neutron source to tumours is carried out using Monte Carlo methods: (i) reactor-based BNCT facility modelling to yield the neutron beam library at an irradiation port; (ii) dosimetry to limit the neutron fluence below a tolerance dose (10.5 Gy-Eq); (iii) calculation of the 10B(n,alpha)7Li reaction density in tumours. A shallow surface tumour could be effectively treated by single exposure producing an average cell survival probability of 10(-3)-10(-5) for probable ranges of the cell-killing yield for the two drugs, while a deep tumour will require bilateral exposure to achieve comparable cell kills at depth. With very pure epithermal beams eliminating thermal, low epithermal and fast neutrons, the cell survival can be decreased by factors of 2-10 compared with the unmodified neutron spectrum. A dominant effect of cell-killing yield on tumour cell survival demonstrates the importance of choice of boron carrier drug. However, these calculations do not indicate an unambiguous preference for one drug, due to the large overlap of tumour cell survival in the probable ranges of the cell-killing yield for the two drugs. The cell survival value averaged over a bulky tumour volume is used to predict the overall BNCT therapeutic efficacy, using a simple model of tumour control probability (TCP).
The impact of particle size and initial solid loading on thermochemical pretreatment of wheat straw for improving sugar recovery.

PubMed

Rojas-Rejón, Oscar A; Sánchez, Arturo

2014-07-01

This work studies the effect of initial solid load (4-32 %; w/v, DS) and particle size (0.41-50 mm) on monosaccharide yield of wheat straw subjected to dilute H(2)SO(4) (0.75 %, v/v) pretreatment and enzymatic saccharification. Response surface methodology (RSM) based on a full factorial design (FFD) was used for the statistical analysis of pretreatment and enzymatic hydrolysis. The highest xylose yield obtained during pretreatment (ca. 86 %; of theoretical) was achieved at 4 % (w/v, DS) and 25 mm. The solid fraction obtained from the first set of experiments was subjected to enzymatic hydrolysis at constant enzyme dosage (17 FPU/g); statistical analysis revealed that glucose yield was favored with solids pretreated at low initial solid loads and small particle sizes. Dynamic experiments showed that glucose yield did not increase after 48 h of enzymatic hydrolysis. Once established pretreatment conditions, experiments were carried out with several initial solid loading (4-24 %; w/v, DS) and enzyme dosages (5-50 FPU/g). Two straw sizes (0.41 and 50 mm) were used for verification purposes. The highest glucose yield (ca. 55 %; of theoretical) was achieved at 4 % (w/v, DS), 0.41 mm and 50 FPU/g. Statistical analysis of experiments showed that at low enzyme dosage, particle size had a remarkable effect over glucose yield and initial solid load was the main factor for glucose yield.
Novel endophytic yeast Rhodotorula mucilaginosa strain PTD3 II: production of xylitol and ethanol in the presence of inhibitors.

PubMed

Vajzovic, Azra; Bura, Renata; Kohlmeier, Kevin; Doty, Sharon L

2012-10-01

A systematic study was conducted characterizing the effect of furfural, 5-hydroxymethylfurfural (5-HMF), and acetic acid concentration on the production of xylitol and ethanol by a novel endophytic yeast, Rhodotorula mucilaginosa strain PTD3. The influence of different inhibitor concentrations on the growth and fermentation abilities of PTD3 cultivated in synthetic nutrient media containing 30 g/l xylose or glucose were measured during liquid batch cultures. Concentrations of up to 5 g/l of furfural stimulated production of xylitol to 77 % of theoretical yield (10 % higher compared to the control) by PTD3. Xylitol yields produced by this yeast were not affected in the presence of 5-HMF at concentrations of up to 3 g/l. At higher concentrations of furfural and 5-HMF, xylitol and ethanol yields were negatively affected. The higher the concentration of acetic acid present in a media, the higher the ethanol yield approaching 99 % of theoretical yield (15 % higher compared to the control) was produced by the yeast. At all concentrations of acetic acid tested, xylitol yield was lowered. PTD3 was capable of metabolizing concentrations of 5, 15, and 5 g/l of furfural, 5-HMF, and acetic acid, respectively. This yeast would be a potent candidate for the bioconversion of lignocellulosic sugars to biochemicals given that in the presence of low concentrations of inhibitors, its xylitol and ethanol yields are stimulated, and it is capable of metabolizing pretreatment degradation products.
Engineering Escherichia coli for poly-(3-hydroxybutyrate) production guided by genome-scale metabolic network analysis.

PubMed

Zheng, Yangyang; Yuan, Qianqian; Yang, Xiaoyan; Ma, Hongwu

2017-11-01

Poly-(3-hydroxybutyrate) (P3HB) is a promising biodegradable plastic synthesized from acetyl-CoA. One important factor affecting the P3HB production cost is the P3HB yield. Through flux balance analysis of an extended genome-scale metabolic network of E. coli, we found that the introduction of non-oxidative glycolysis pathway (NOG), a previously reported pathway enabling complete carbon conservation, can increase the theoretical carbon yield from 67% to 89%, equivalent to the theoretical mass yield from 0.48g P3HB/g glucose to 0.64g P3HB/g glucose. Based on this analysis result, we introduced phosphoketolase and enhanced the NOG pathway in E. coli. The mass yield in the engineered strain was increased from 0.16g P3HB/g glucose to 0.24g P3HB/g glucose. We further overexpressed pntAB to enhance the NADPH availability and down-regulated TCA cycle to divert more acetyl-CoA toward P3HB. The final construct accumulated 5.7g/L P3HB and reached a carbon yield of 0.43 (a mass yield of 0.31g P3HB/g glucose) in shake flask cultures in shake flask cultures. The introduction of NOG pathway could also be useful for improving yields of many other biochemicals derived from acetyl-coA. Copyright © 2017 Elsevier Inc. All rights reserved.
Modeling of Iron K Lines: Radiative and Auger Decay Data for Fe II-Fe IX

NASA Technical Reports Server (NTRS)

Palmeri, P.; Mendoza, C.; Kallman, T. R.; Bautista, M. A.; Melendez, M.

2003-01-01

A detailed analysis of the radiative and Auger de-excitation channels of K-shell vacancy states in Fe II-Fe IX has been carried out. Level energies, wavelengths, A-values, Auger rates and fluorescence yields have been calculated for the lowest fine-structure levels populated by photoionization of the ground state of the parent ion. Different branching ratios, namely K alpha 2/K alpha 1, K beta/K alpha, KLM/KLL, KMM/KLL, and the total K-shell fluorescence yields, omega(sub k), obtained in the present work have been compared with other theoretical data and solid-state measurements, finding good general agreement with the latter. The Kalpha 2/K alpha l ratio is found to be sensitive to the excitation mechanism. From these comparisons it has been possible to estimate an accuracy of approx.10% for the present transition probabilities.
High-Precision Half-Life and Branching Ratio Measurements for the Superallowed β+ Emitter 26Alm

NASA Astrophysics Data System (ADS)

Finlay, P.; Svensson, C. E.; Demand, G. A.; Garrett, P. E.; Green, K. L.; Leach, K. G.; Phillips, A. A.; Rand, E. T.; Ball, G.; Bandyopadhyay, D.; Djongolov, M.; Ettenauer, S.; Hackman, G.; Pearson, C. J.; Leslie, J. R.; Andreoiu, C.; Cross, D.; Austin, R. A. E.; Grinyer, G. F.; Sumithrarachchi, C. S.; Williams, S. J.; Triambak, S.

2013-03-01

High-precision half-life and branching-ratio measurements for the superallowed β+ emitter 26Alm were performed at the TRIUMF-ISAC radioactive ion beam facility. An upper limit of ≤ 15 ppm at 90% C.L. was determined for the sum of all possible non-analogue β+/EC decay branches of 26Alm, yielding a superallowed branching ratio of 100.0000+0-0.0015%. A value of T1/2 = 6:34654(76) s was determined for the 26Alm half-life which is consistent with, but 2.5 times more precise than, the previous world average. Combining these results with world-average measurements yields an ft value of 3037.58(60) s, the most precisely determined for any superallowed emitting nucleus to date. This high-precision ft value for 26Alm provides a new benchmark to refine theoretical models of isospin-symmetry-breaking effects in superallowed β decays.
VUV action spectroscopy of protonated leucine-enkephalin peptide in the 6-14 eV range

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

Ranković, M. Lj.; Canon, F.; Nahon, L.

2015-12-28

We have studied the Vacuum Ultraviolet (VUV) photodissociation of gas-phase protonated leucine-enkephalin peptide ion in the 5.7 to 14 eV photon energy range by coupling a linear quadrupole ion trap with a synchrotron radiation source. We report VUV activation tandem mass spectra at 6.7, 8.4, and 12.8 eV photon energies and photodissociation yields for a number of selected fragments. The obtained results provide insight into both near VUV radiation damage and electronic properties of a model peptide. We could distinguish several absorption bands and assign them to particular electronic transitions, according to previous theoretical studies. The photodissociation yields appear tomore » be very different for the various observed fragmentation channels, depending on both the types of fragments and their position along the peptide backbone. The present results are discussed in light of recent gas-phase spectroscopic data on peptides.« less

Metal nanoplates: Smaller is weaker due to failure by elastic instability

NASA Astrophysics Data System (ADS)

Ho, Duc Tam; Kwon, Soon-Yong; Park, Harold S.; Kim, Sung Youb

2017-11-01

Under mechanical loading, crystalline solids deform elastically, and subsequently yield and fail via plastic deformation. Thus crystalline materials experience two mechanical regimes: elasticity and plasticity. Here, we provide numerical and theoretical evidence to show that metal nanoplates exhibit an intermediate mechanical regime that occurs between elasticity and plasticity, which we call the elastic instability regime. The elastic instability regime begins with a decrease in stress, during which the nanoplates fail via global, and not local, deformation mechanisms that are distinctly different from traditional dislocation-mediated plasticity. Because the nanoplates fail via elastic instability, the governing strength criterion is the ideal strength, rather than the yield strength, and as a result, we observe a unique "smaller is weaker" trend. We develop a simple surface-stress-based analytic model to predict the ideal strength of the metal nanoplates, which accurately reproduces the smaller is weaker behavior observed in the atomistic simulations.
The three principal secular resonances nu(5), nu(6), and nu(16) in the asteroidal belt

NASA Astrophysics Data System (ADS)

Froeschle, Ch.; Scholl, H.

1989-09-01

Theoretical and numerical results obtained for secular resonant motion in the asteroidal belt are reviewed. William's (1969) theory yields the locations of the principal secular resonances nu(5), Nu(6), and nu(16) in the asteroidal belt. Theories by Nakai and Kinoshita (1985) and by Yoshikawa (1987) make it possible to model the basic features of orbital evolution at the secular resonances nu(16) and nu(6), respectively. No theory is available for the secular resonance nu(5). Numerical experiments by Froeschle and Scholl yield quantitative and new qualitative results for orbital evolutions at the three principal secular resonances nu(5), nu(6), and nu(16). These experiments indicate possible chaotic motion due to overlapping resonances. A secular resonance may overlap with another secular resonance or with a mean motion resonance. The role of the secular resonances as possible sources of meteorites is discussed.
The MATCHIT Automaton: Exploiting Compartmentalization for the Synthesis of Branched Polymers

PubMed Central

Weyland, Mathias S.; Fellermann, Harold; Hadorn, Maik; Sorek, Daniel; Lancet, Doron; Rasmussen, Steen; Füchslin, Rudolf M.

2013-01-01

We propose an automaton, a theoretical framework that demonstrates how to improve the yield of the synthesis of branched chemical polymer reactions. This is achieved by separating substeps of the path of synthesis into compartments. We use chemical containers (chemtainers) to carry the substances through a sequence of fixed successive compartments. We describe the automaton in mathematical terms and show how it can be configured automatically in order to synthesize a given branched polymer target. The algorithm we present finds an optimal path of synthesis in linear time. We discuss how the automaton models compartmentalized structures found in cells, such as the endoplasmic reticulum and the Golgi apparatus, and we show how this compartmentalization can be exploited for the synthesis of branched polymers such as oligosaccharides. Lastly, we show examples of artificial branched polymers and discuss how the automaton can be configured to synthesize them with maximal yield. PMID:24489601
VUV action spectroscopy of protonated leucine-enkephalin peptide in the 6-14 eV range

DOE PAGES

Ranković, M. Lj.; Canon, F.; Nahon, L.; ...

2015-12-29

We have studied the VUV photodissociation of gas-phase protonated leucine-enkephalin peptide ion in the 5.7 to 14 eV photon energy range by coupling a linear quadrupole ion trap with a synchrotron radiation source. We report VUV activation tandem mass spectra at 6.7, 8.4 and 12.8 eV photon energies and photodissociation yields for a number of selected fragments. The obtained results provide insights into both near VUV radiation damage and electronic properties of a model peptide. We could distinguish several absorption bands and assign them to particular electronic transitions, according to previous theoretical studies. Furthermore, the photodissociation yields appear to bemore » very different for the various observed fragmentation channels, depending both on the type of fragments and their position along the peptide backbone. The present results are discussed in light of recent gas-phase spectroscopic data on peptides.« less
Adaptive magnetorheological seat suspension for shock mitigation

NASA Astrophysics Data System (ADS)

Singh, Harinder J.; Wereley, Norman M.

2013-04-01

An adaptive magnetorheological seat suspension (AMSS) was analyzed for optimal protection of occupants from shock loads caused by the impact of a helicopter with the ground. The AMSS system consists of an adaptive linear stroke magnetorheological shock absorber (MRSA) integrated into the seat structure of a helicopter. The MRSA provides a large controllability yield force to accommodate a wide spectrum for shock mitigation. A multiple degrees-of-freedom nonlinear biodynamic model for a 50th percentile male occupant was integrated with the dynamics of MRSA and the governing equations of motion were investigated theoretically. The load-stroke profile of MRSA was optimized with the goal of minimizing the potential for injuries. The MRSA yield force and the shock absorber stroke limitations were the most crucial parameters for improved biodynamic response mitigation. An assessment of injuries based on established injury criteria for different body parts was carried out.
Mechanical Properties of Lightweight Porous Magnesium Processed Through Powder Metallurgy

NASA Astrophysics Data System (ADS)

Zou, Ning; Li, Qizhen

2018-02-01

Porous magnesium (Mg) samples with various overall porosities (28.4 ± 1.8%, 35.5 ± 2.5%, 45.4 ± 1.9%, and 62.4 ± 2.2%) were processed through powder metallurgy and characterized to study their mechanical properties. Different porosities were obtained by utilizing different mass fractions of space holder camphene. Camphene was removed by sublimation before sintering and contributed to processing porous Mg with high purity and small average pore size. The average pore size increased from 5.2 µm to 15.1 µm with increase of the porosity from 28.4 ± 1.8% to 62.4 ± 2.2%. Compressive strain-stress data showed that the strain hardening rate, yield strength, and ultimate compressive strength decreased with increase of the porosity. The theoretical yield strength of porous Mg obtained using the Gibson-Ashby model agreed with experimental data.
Hydrostatic compression of Fe(1-x)O wuestite

NASA Technical Reports Server (NTRS)

Jeanloz, R.; Sato-Sorensen, Y.

1986-01-01

Hydrostatic compression measurements on Fe(0.95)O wuestite up to 12 GPa yield a room temperature value for the isothermal bulk modulus of K(ot) = 157 (+ or - 10) GPa at zero pressure. This result is in accord with previous hydrostatic and nonhydrostatic measurements of K(ot) for wuestites of composition: 0.89 = Fe/O 0.95. Dynamic measurements of the bulk modulus by ultrasonic, shock-wave and neutron-scattering experiments tend to yield a larger value: K(ot) approximately 180 GPa. The discrepancy between static and dynamic values cannot be explained by the variation of K(ot) with composition, as has been proposed. This conclusion is based on high-precision compression data and on theoretical models of the effects of defects on elastic constants. Barring serious errors in the published measurements, the available data suggest that wuestite exhibits a volume relaxation under pressure.
A potential thermal dynamo and its astrophysical applications

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

Lingam, Manasvi, E-mail: mlingam@princeton.edu; Department of Astrophysical Sciences, Princeton University, Princeton, New Jersey 08544; Mahajan, Swadesh M., E-mail: mahajan@mail.utexas.edu

2016-05-15

It is shown that thermal turbulence, not unlike the standard kinetic and magnetic turbulence, can be an effective driver of a mean-field dynamo. In simple models, such as hydrodynamics and magnetohydrodynamics, both vorticity and induction equations can have strong thermal drives that resemble the α and γ effects in conventional dynamo theories; the thermal drives are likely to be dominant in systems that are endowed with subsonic, low-β turbulence. A pure thermal dynamo is quite different from the conventional dynamo in which the same kinetic/magnetic mix in the ambient turbulence can yield a different ratio of macroscopic magnetic/vortical fields. Themore » possible implications of the similarities and differences between the thermal and non-thermal dynamos are discussed. The thermal dynamo is shown to be highly important in the stellar and planetary context, and yields results broadly consistent with other theoretical and experimental approaches.« less
Inverse probability weighting for covariate adjustment in randomized studies

PubMed Central

Li, Xiaochun; Li, Lingling

2013-01-01

SUMMARY Covariate adjustment in randomized clinical trials has the potential benefit of precision gain. It also has the potential pitfall of reduced objectivity as it opens the possibility of selecting “favorable” model that yields strong treatment benefit estimate. Although there is a large volume of statistical literature targeting on the first aspect, realistic solutions to enforce objective inference and improve precision are rare. As a typical randomized trial needs to accommodate many implementation issues beyond statistical considerations, maintaining the objectivity is at least as important as precision gain if not more, particularly from the perspective of the regulatory agencies. In this article, we propose a two-stage estimation procedure based on inverse probability weighting to achieve better precision without compromising objectivity. The procedure is designed in a way such that the covariate adjustment is performed before seeing the outcome, effectively reducing the possibility of selecting a “favorable” model that yields a strong intervention effect. Both theoretical and numerical properties of the estimation procedure are presented. Application of the proposed method to a real data example is presented. PMID:24038458
Inverse probability weighting for covariate adjustment in randomized studies.

PubMed

Shen, Changyu; Li, Xiaochun; Li, Lingling

2014-02-20

Covariate adjustment in randomized clinical trials has the potential benefit of precision gain. It also has the potential pitfall of reduced objectivity as it opens the possibility of selecting a 'favorable' model that yields strong treatment benefit estimate. Although there is a large volume of statistical literature targeting on the first aspect, realistic solutions to enforce objective inference and improve precision are rare. As a typical randomized trial needs to accommodate many implementation issues beyond statistical considerations, maintaining the objectivity is at least as important as precision gain if not more, particularly from the perspective of the regulatory agencies. In this article, we propose a two-stage estimation procedure based on inverse probability weighting to achieve better precision without compromising objectivity. The procedure is designed in a way such that the covariate adjustment is performed before seeing the outcome, effectively reducing the possibility of selecting a 'favorable' model that yields a strong intervention effect. Both theoretical and numerical properties of the estimation procedure are presented. Application of the proposed method to a real data example is presented. Copyright © 2013 John Wiley & Sons, Ltd.
Models for mirror symmetry breaking via β-sheet-controlled copolymerization: (i) mass balance and (ii) probabilistic treatment.

PubMed

Blanco, Celia; Hochberg, David

2012-12-06

Experimental mechanisms that yield the growth of homochiral copolymers over their heterochiral counterparts have been advocated by Lahav and co-workers. These chiral amplification mechanisms proceed through racemic β-sheet-controlled polymerization operative in both surface crystallites as well as in solution. We develop two complementary theoretical models for these template-induced desymmetrization processes leading to multicomponent homochiral copolymers. First, assuming reversible β-sheet formation, the equilibrium between the free monomer pool and the polymer strand within the template is assumed. This yields coupled nonlinear mass balance equations whose solutions are used to calculate enantiomeric excesses and average lengths of the homochiral chains formed. The second approach is a probabilistic treatment based on random polymerization. The occlusion probabilities depend on the polymerization activation energies for each monomer species and are proportional to the concentrations of the monomers in solution in the constant pool approximation. The monomer occlusion probabilities are represented geometrically in terms of unit simplexes from which conditions for maximizing or minimizing the likelihood for mirror symmetry breaking can be determined.
Synergistic effects of oleaginous yeast Rhodotorula glutinis and microalga Chlorella vulgaris for enhancement of biomass and lipid yields.

PubMed

Zhang, Zhiping; Ji, Hairui; Gong, Guiping; Zhang, Xu; Tan, Tianwei

2014-07-01

The optimal mixed culture model of oleaginous yeast Rhodotorula glutinis and microalga Chlorella vulgaris was confirmed to enhance lipid production. A double system bubble column photo-bioreactor was designed and used for demonstrating the relationship of yeast and alga in mixed culture. The results showed that using the log-phase cultures of yeast and alga as seeds for mixed culture, the improvements of biomass and lipid yields reached 17.3% and 70.9%, respectively, compared with those of monocultures. Growth curves of two species were confirmed in the double system bubble column photo-bioreactor, and the second growth of yeast was observed during 36-48 h of mixed culture. Synergistic effects of two species for cell growth and lipid accumulation were demonstrated on O2/CO2 balance, substance exchange, dissolved oxygen and pH adjustment in mixed culture. This study provided a theoretical basis and culture model for producing lipids by mixed culture in place of monoculture. Copyright © 2014 Elsevier Ltd. All rights reserved.
Particle Acceleration at a Twin CME at 1 AU

NASA Astrophysics Data System (ADS)

Parker, L. N.; Li, G.

2017-12-01

We present results from both the Particle Acceleration and Transport in the Heliosphere (PATH) and Particle Acceleration at Multiple Shocks (PAMS) models for a twin CME scenario. The PATH model follows a CME using a numerical MHD module and solves the Parker transport equation at the shock yielding the accelerated particle spectrum, while PAMS solves the steady-state cosmic ray transport equation at an individual shock analytically to yield the diffusive shock acceleration (DSA) spectrum. We address the injection of an upstream particle distribution into the acceleration process for a two shock system at 1 AU. Only those particles that exceed a theoretically motivated prescribed injection energy, Einj, and up to a maximum injection energy (Emax) appropriate for quasi-parallel and quasi-perpendicular shocks (Zank et al., 2000, 2006; Dosch and Shalchi, 2010) are injected. Results from PAMS are then compared to observations at 1 AU from the Advanced Composition Explorer (ACE) spacecraft. In addition, we test the concept of electron acceleration at low injection energies for a single and multiple shock system using the same method as in Neergaard Parker and Zank, 2012 and Neergaard Parker et al., 2014.
Efficient estimation of the maximum metabolic productivity of batch systems.

PubMed

St John, Peter C; Crowley, Michael F; Bomble, Yannick J

2017-01-01

Production of chemicals from engineered organisms in a batch culture involves an inherent trade-off between productivity, yield, and titer. Existing strategies for strain design typically focus on designing mutations that achieve the highest yield possible while maintaining growth viability. While these methods are computationally tractable, an optimum productivity could be achieved by a dynamic strategy in which the intracellular division of resources is permitted to change with time. New methods for the design and implementation of dynamic microbial processes, both computational and experimental, have therefore been explored to maximize productivity. However, solving for the optimal metabolic behavior under the assumption that all fluxes in the cell are free to vary is a challenging numerical task. Previous studies have therefore typically focused on simpler strategies that are more feasible to implement in practice, such as the time-dependent control of a single flux or control variable. This work presents an efficient method for the calculation of a maximum theoretical productivity of a batch culture system using a dynamic optimization framework. The proposed method follows traditional assumptions of dynamic flux balance analysis: first, that internal metabolite fluxes are governed by a pseudo-steady state, and secondly that external metabolite fluxes are dynamically bounded. The optimization is achieved via collocation on finite elements, and accounts explicitly for an arbitrary number of flux changes. The method can be further extended to calculate the complete Pareto surface of productivity as a function of yield. We apply this method to succinate production in two engineered microbial hosts, Escherichia coli and Actinobacillus succinogenes , and demonstrate that maximum productivities can be more than doubled under dynamic control regimes. The maximum theoretical yield is a measure that is well established in the metabolic engineering literature and whose use helps guide strain and pathway selection. We present a robust, efficient method to calculate the maximum theoretical productivity: a metric that will similarly help guide and evaluate the development of dynamic microbial bioconversions. Our results demonstrate that nearly optimal yields and productivities can be achieved with only two discrete flux stages, indicating that near-theoretical productivities might be achievable in practice.
Finding identifiable parameter combinations in nonlinear ODE models and the rational reparameterization of their input-output equations.

PubMed

Meshkat, Nicolette; Anderson, Chris; Distefano, Joseph J

2011-09-01

When examining the structural identifiability properties of dynamic system models, some parameters can take on an infinite number of values and yet yield identical input-output data. These parameters and the model are then said to be unidentifiable. Finding identifiable combinations of parameters with which to reparameterize the model provides a means for quantitatively analyzing the model and computing solutions in terms of the combinations. In this paper, we revisit and explore the properties of an algorithm for finding identifiable parameter combinations using Gröbner Bases and prove useful theoretical properties of these parameter combinations. We prove a set of M algebraically independent identifiable parameter combinations can be found using this algorithm and that there exists a unique rational reparameterization of the input-output equations over these parameter combinations. We also demonstrate application of the procedure to a nonlinear biomodel. Copyright © 2011 Elsevier Inc. All rights reserved.
SPY: A new scission point model based on microscopic ingredients to predict fission fragments properties

NASA Astrophysics Data System (ADS)

Lemaître, J.-F.; Dubray, N.; Hilaire, S.; Panebianco, S.; Sida, J.-L.

2013-12-01

Our purpose is to determine fission fragments characteristics in a framework of a scission point model named SPY for Scission Point Yields. This approach can be considered as a theoretical laboratory to study fission mechanism since it gives access to the correlation between the fragments properties and their nuclear structure, such as shell correction, pairing, collective degrees of freedom, odd-even effects. Which ones are dominant in final state? What is the impact of compound nucleus structure? The SPY model consists in a statistical description of the fission process at the scission point where fragments are completely formed and well separated with fixed properties. The most important property of the model relies on the nuclear structure of the fragments which is derived from full quantum microscopic calculations. This approach allows computing the fission final state of extremely exotic nuclei which are inaccessible by most of the fission model available on the market.
Depth Estimates for Slingram Electromagnetic Anomalies from Dipping Sheet-like Bodies by the Normalized Full Gradient Method

NASA Astrophysics Data System (ADS)

Dondurur, Derman

2005-11-01

The Normalized Full Gradient (NFG) method was proposed in the mid 1960s and was generally used for the downward continuation of the potential field data. The method eliminates the side oscillations which appeared on the continuation curves when passing through anomalous body depth. In this study, the NFG method was applied to Slingram electromagnetic anomalies to obtain the depth of the anomalous body. Some experiments were performed on the theoretical Slingram model anomalies in a free space environment using a perfectly conductive thin tabular conductor with an infinite depth extent. The theoretical Slingram responses were obtained for different depths, dip angles and coil separations, and it was observed from NFG fields of the theoretical anomalies that the NFG sections yield the depth information of top of the conductor at low harmonic numbers. The NFG sections consisted of two main local maxima located at both sides of the central negative Slingram anomalies. It is concluded that these two maxima also locate the maximum anomaly gradient points, which indicates the depth of the anomaly target directly. For both theoretical and field data, the depth of the maximum value on the NFG sections corresponds to the depth of the upper edge of the anomalous conductor. The NFG method was applied to the in-phase component and correct depth estimates were obtained even for the horizontal tabular conductor. Depth values could be estimated with a relatively small error percentage when the conductive model was near-vertical and/or the conductor depth was larger.
Quantitative Evaluation of Performance in Interventional Neuroradiology: An Integrated Curriculum Featuring Theoretical and Practical Challenges

PubMed Central

Ernst, Marielle; Kriston, Levente; Romero, Javier M.; Frölich, Andreas M.; Jansen, Olav; Fiehler, Jens; Buhk, Jan-Hendrik

2016-01-01

Purpose We sought to develop a standardized curriculum capable of assessing key competencies in Interventional Neuroradiology by the use of models and simulators in an objective, quantitative, and efficient way. In this evaluation we analyzed the associations between the practical experience, theoretical knowledge, and the skills lab performance of interventionalists. Materials and Methods We evaluated the endovascular skills of 26 participants of the Advanced Course in Endovascular Interventional Neuroradiology of the European Society of Neuroradiology with a set of three tasks (aneurysm coiling and thrombectomy in a virtual simulator and placement of an intra-aneurysmal flow disruptor in a flow model). Practical experience was assessed by a survey. Participants completed a written and oral examination to evaluate theoretical knowledge. Bivariate and multivariate analyses were performed. Results In multivariate analysis knowledge of materials and techniques in Interventional Neuroradiology was moderately associated with skills in aneurysm coiling and thrombectomy. Experience in mechanical thrombectomy was moderately associated with thrombectomy skills, while age was negatively associated with thrombectomy skills. We found no significant association between age, sex, or work experience and skills in aneurysm coiling. Conclusion Our study gives an example of how an integrated curriculum for reasonable and cost-effective assessment of key competences of an interventional neuroradiologist could look. In addition to traditional assessment of theoretical knowledge practical skills are measured by the use of endovascular simulators yielding objective, quantitative, and constructive data for the evaluation of the current performance status of participants as well as the evolution of their technical competency over time. PMID:26848840
The Effect of a Yield Stress on the Drainage of the Thin Film Between Two Colliding Newtonian Drops

NASA Astrophysics Data System (ADS)

Goel, Sachin; Ramachandran, Arun

2016-11-01

Coalescence of drops immersed in fluids possessing a yield stress has been of interest to many industries such as the oil extraction, cosmetics and food industries. Unfortunately, a theoretical understanding of the drainage of the thin film of Bingham fluid (a model yield stress fluid) that develops between two drops undergoing a collision is still lacking, with the exception of two prior studies that make ad-hoc assumptions about the film shape. In this work, we examine this problem via a combination of scaling analysis and numerical simulations based on the lubrication analysis. There are four key features of the film drainage process of Bingham fluids. First, the introduction of a yield stress in the suspending fluid retards the drainage process relative to Newtonian fluid of the same viscosity. Second, the drainage time shows a minimum with respect to the capillary number. Third, the effect of yield stress on the drainage process becomes more pronounced at higher capillary numbers and lower Hamaker constant. Lastly, below a critical height, drainage can be arrested completely due to the yield stress. This critical height scales as τ02R3 τ02R3 γ2 γ2 , where τ0 is the yield stress, R is the drop radius and γ is the interfacial tension, and is, surprisingly, independent of the force colliding the drops. This and other distinguishing characteristics of the drainage process will be elucidated in the presentation.
Pure shear and simple shear calcite textures. Comparison of experimental, theoretical and natural data

USGS Publications Warehouse

Wenk, H.-R.; Takeshita, T.; Bechler, E.; Erskine, B.G.; Matthies, S.

1987-01-01

The pattern of lattice preferred orientation (texture) in deformed rocks is an expression of the strain path and the acting deformation mechanisms. A first indication about the strain path is given by the symmetry of pole figures: coaxial deformation produces orthorhombic pole figures, while non-coaxial deformation yields monoclinic or triclinic pole figures. More quantitative information about the strain history can be obtained by comparing natural textures with experimental ones and with theoretical models. For this comparison, a representation in the sensitive three-dimensional orientation distribution space is extremely important and efforts are made to explain this concept. We have been investigating differences between pure shear and simple shear deformation incarbonate rocks and have found considerable agreement between textures produced in plane strain experiments and predictions based on the Taylor model. We were able to simulate the observed changes with strain history (coaxial vs non-coaxial) and the profound texture transition which occurs with increasing temperature. Two natural calcite textures were then selected which we interpreted by comparing them with the experimental and theoretical results. A marble from the Santa Rosa mylonite zone in southern California displays orthorhombic pole figures with patterns consistent with low temperature deformation in pure shear. A limestone from the Tanque Verde detachment fault in Arizona has a monoclinic fabric from which we can interpret that 60% of the deformation occurred by simple shear. ?? 1987.

Can a numerically stable subgrid-scale model for turbulent flow computation be ideally accurate?: a preliminary theoretical study for the Gaussian filtered Navier-Stokes equations.

PubMed

Ida, Masato; Taniguchi, Nobuyuki

2003-09-01

This paper introduces a candidate for the origin of the numerical instabilities in large eddy simulation repeatedly observed in academic and practical industrial flow computations. Without resorting to any subgrid-scale modeling, but based on a simple assumption regarding the streamwise component of flow velocity, it is shown theoretically that in a channel-flow computation, the application of the Gaussian filtering to the incompressible Navier-Stokes equations yields a numerically unstable term, a cross-derivative term, which is similar to one appearing in the Gaussian filtered Vlasov equation derived by Klimas [J. Comput. Phys. 68, 202 (1987)] and also to one derived recently by Kobayashi and Shimomura [Phys. Fluids 15, L29 (2003)] from the tensor-diffusivity subgrid-scale term in a dynamic mixed model. The present result predicts that not only the numerical methods and the subgrid-scale models employed but also only the applied filtering process can be a seed of this numerical instability. An investigation concerning the relationship between the turbulent energy scattering and the unstable term shows that the instability of the term does not necessarily represent the backscatter of kinetic energy which has been considered a possible origin of numerical instabilities in large eddy simulation. The present findings raise the question whether a numerically stable subgrid-scale model can be ideally accurate.
Kinetic magnetic-field effect involving the small biologically relevant inorganic radicals NO and O2(·-).

PubMed

Karogodina, Tatiana Y; Dranov, Igor G; Sergeeva, Svetlana V; Stass, Dmitry V; Steiner, Ulrich E

2011-06-20

Oxidation of dihydrorhodamine 123 (DHR) to rhodamine 123 (RH) by oxoperoxonitrite (ONOO(-)), formed through recombination of NO and O(2)(·-) radicals resulting from thermal decomposition of 3-morpholinosydnonimine (SIN-1) in buffered aerated aqueous solution at pH 7.6, represents a kinetic model system of the reactivity of NO and O(2)(·-) in biochemical systems. A magnetic-field effect (MFE) on the yield of RH detected in this system is explored in the full range of fields between 0 and 18 T. It is found to increase in a nearly linear fashion up to a value of 5.5±1.6 % at 18 T and 23 °C (3.1±0.7 % at 40 °C). A theoretical framework to analyze the MFE in terms of the magnetic-field-enhanced recombination rate constant k(rec) of NO and O(2)(·-) due to magnetic mixing of T(0) and S spin states of the radical pair by the Δg mechanism is developed, including estimation of magnetic properties (g tensor and spin relaxation times) of NO and O(2)(·-) in aqueous solution, and calculation of the MFE on k(rec) using the theoretical formalism of Gorelik at al. The factor with which the MFE on k(rec) is translated to the MFE on the yield of ONOO(-) and RH is derived for various kinetic scenarios representing possible sink channels for NO and O(2)(·-). With reasonable assumptions for the values of some unknown kinetic parameters, the theoretical predictions account well for the observed MFE. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Benchmarking Attosecond Physics with Atomic Hydrogen

DTIC Science & Technology

2015-05-25

theoretical simulations are available in this regime. We provided accurate reference data on the photoionization yield and the CEP-dependent...this difficulty. This experiment claimed to show that, contrary to current understanding, the photoionization of an atomic electron is not an... photoion yield and transferrable intensity calibration. The dependence of photoionization probability on laser intensity is one of the most
Equatorial waves in the stratosphere of Uranus

NASA Technical Reports Server (NTRS)

Hinson, David P.; Magalhaes, Julio A.

1991-01-01

Analyses of radio occultation data from Voyager 2 have led to the discovery and characterization of an equatorial wave in the Uranus stratosphere. The observed quasi-periodic vertical atmospheric density variations are in close agreement with theoretical predictions for a wave that propagates vertically through the observed background structure of the stratosphere. Quantitative comparisons between measurements obtained at immersion and at emersion yielded constraints on the meridional and zonal structure of the wave; the fact that the two sets of measurements are correlated suggests a wave of planetary scale. Two equatorial wave models are proposed for the wave.
Highlights in the study of exoplanet atmospheres

NASA Astrophysics Data System (ADS)

Burrows, Adam S.

2014-09-01

Exoplanets are now being discovered in profusion. To understand their character, however, we require spectral models and data. These elements of remote sensing can yield temperatures, compositions and even weather patterns, but only if significant improvements in both the parameter retrieval process and measurements are made. Despite heroic efforts to garner constraining data on exoplanet atmospheres and dynamics, reliable interpretation has frequently lagged behind ambition. I summarize the most productive, and at times novel, methods used to probe exoplanet atmospheres; highlight some of the most interesting results obtained; and suggest various broad theoretical topics in which further work could pay significant dividends.
Searches for Leptonic B Decays at BaBar

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

Nelson, Silke; /SLAC

2012-04-25

Measurements of the branching fractions of purely leptonic decays of B-mesons translate into constraints in the plane of the charged Higgs mass versus tan {beta} which are relatively insensitive to the particular theoretical model. Using the full BABAR dataset of 450 million B-decays we search for these decays. No significant signal is found in the decays into electrons or muons and we set upper limits on the branching fractions of the order of a 10{sup -6} at 90% confidence level. We measure the branching fraction of B {yields} {tau}{mu} to be (1.7 {+-} 0.6) x 10{sup -4}.
A Hierarchical Security Architecture for Cyber-Physical Systems

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

Quanyan Zhu; Tamer Basar

2011-08-01

Security of control systems is becoming a pivotal concern in critical national infrastructures such as the power grid and nuclear plants. In this paper, we adopt a hierarchical viewpoint to these security issues, addressing security concerns at each level and emphasizing a holistic cross-layer philosophy for developing security solutions. We propose a bottom-up framework that establishes a model from the physical and control levels to the supervisory level, incorporating concerns from network and communication levels. We show that the game-theoretical approach can yield cross-layer security strategy solutions to the cyber-physical systems.
A comparison of optimal and noise-abatement trajectories of a tilt-rotor aircraft

NASA Technical Reports Server (NTRS)

Schmitz, F. H.; Stepniewski, W. Z.; Gibs, J.; Hinterkeuser, W. Z.

1972-01-01

The potential benefits of flight path control to optimize performance and/or reduce the noise of a tilt-rotor aircraft operating in the takeoff and landing phases of flight are investigated. A theoretical performance-acoustic model is developed and then mathematically flown to yield representative takeoff and landing profiles. Minimum-time and minimum-fuel trajectories are compared to proposed noise-abatement profiles to assess the reductions in annoyance possible through flight path control. Significant reductions are feasible if a nearly vertical-takeoff flight profile is flown near the landing site; however, the time expended and fuel consumed increase.
Reduced product yield in chemical processes by second law effects

NASA Technical Reports Server (NTRS)

England, C.; Funk, J. E.

1980-01-01

An analysis of second law effects in chemical processes, where product yield is explicitly related to the individual irreversibilities within the process to indicate a maximum theoretical yield, is presented. Examples are given that indicate differences between first and second law approaches toward process efficiency and process yield. This analysis also expresses production capacity in terms of the heating value of a product. As a result, it is particularly convenient in analyzing fuel conversion plants and their potential for improvement. Relationships are also given for the effects of irreversibilities on requirements for process heat and for feedstocks.
Fission yield covariances for JEFF: A Bayesian Monte Carlo method

NASA Astrophysics Data System (ADS)

Leray, Olivier; Rochman, Dimitri; Fleming, Michael; Sublet, Jean-Christophe; Koning, Arjan; Vasiliev, Alexander; Ferroukhi, Hakim

2017-09-01

The JEFF library does not contain fission yield covariances, but simply best estimates and uncertainties. This situation is not unique as all libraries are facing this deficiency, firstly due to the lack of a defined format. An alternative approach is to provide a set of random fission yields, themselves reflecting covariance information. In this work, these random files are obtained combining the information from the JEFF library (fission yields and uncertainties) and the theoretical knowledge from the GEF code. Examples of this method are presented for the main actinides together with their impacts on simple burn-up and decay heat calculations.
The Effect of the Density Ratio on the Nonlinear Dynamics of the Unstable Fluid Interface

NASA Technical Reports Server (NTRS)

Abarzhi, S. I.

2003-01-01

Here we report multiple harmonic theoretical solutions for a complete system of conservation laws, which describe the large-scale coherent dynamics in RTI and RMI for fluids with a finite density ratio in the general three-dimensional case. The analysis yields new properties of the bubble front dynamics. In either RTI or RMI, the obtained dependencies of the bubble velocity and curvature on the density ratio differ qualitatively and quantitatively from those suggested by the models of Sharp (1984), Oron et al. (2001), and Goncharov (2002). We show explicitly that these models violate the conservation laws. For the first time, our theory reveals an important qualitative distinction between the dynamics of the RT and RM bubbles.
High-Reproducibility and High-Accuracy Method for Automated Topic Classification

NASA Astrophysics Data System (ADS)

Lancichinetti, Andrea; Sirer, M. Irmak; Wang, Jane X.; Acuna, Daniel; Körding, Konrad; Amaral, Luís A. Nunes

2015-01-01

Much of human knowledge sits in large databases of unstructured text. Leveraging this knowledge requires algorithms that extract and record metadata on unstructured text documents. Assigning topics to documents will enable intelligent searching, statistical characterization, and meaningful classification. Latent Dirichlet allocation (LDA) is the state of the art in topic modeling. Here, we perform a systematic theoretical and numerical analysis that demonstrates that current optimization techniques for LDA often yield results that are not accurate in inferring the most suitable model parameters. Adapting approaches from community detection in networks, we propose a new algorithm that displays high reproducibility and high accuracy and also has high computational efficiency. We apply it to a large set of documents in the English Wikipedia and reveal its hierarchical structure.
Adaptive laboratory evolution of ethanologenic Zymomonas mobilis strain tolerant to furfural and acetic acid inhibitors.

PubMed

Shui, Zong-Xia; Qin, Han; Wu, Bo; Ruan, Zhi-yong; Wang, Lu-shang; Tan, Fu-Rong; Wang, Jing-Li; Tang, Xiao-Yu; Dai, Li-Chun; Hu, Guo-Quan; He, Ming-Xiong

2015-07-01

Furfural and acetic acid from lignocellulosic hydrolysates are the prevalent inhibitors to Zymomonas mobilis during cellulosic ethanol production. Developing a strain tolerant to furfural or acetic acid inhibitors is difficul by using rational engineering strategies due to poor understanding of their underlying molecular mechanisms. In this study, strategy of adaptive laboratory evolution (ALE) was used for development of a furfural and acetic acid-tolerant strain. After three round evolution, four evolved mutants (ZMA7-2, ZMA7-3, ZMF3-2, and ZMF3-3) that showed higher growth capacity were successfully obtained via ALE method. Based on the results of profiling of cell growth, glucose utilization, ethanol yield, and activity of key enzymes, two desired strains, ZMA7-2 and ZMF3-3, were achieved, which showed higher tolerance under 7 g/l acetic acid and 3 g/l furfural stress condition. Especially, it is the first report of Z. mobilis strain that could tolerate higher furfural. The best strain, Z. mobilis ZMF3-3, has showed 94.84% theoretical ethanol yield under 3-g/l furfural stress condition, and the theoretical ethanol yield of ZM4 is only 9.89%. Our study also demonstrated that ALE method might also be used as a powerful metabolic engineering tool for metabolic engineering in Z. mobilis. Furthermore, the two best strains could be used as novel host for further metabolic engineering in cellulosic ethanol or future biorefinery. Importantly, the two strains may also be used as novel-tolerant model organisms for the genetic mechanism on the "omics" level, which will provide some useful information for inverse metabolic engineering.
Development of buoyant currents in yield stress fluids

NASA Astrophysics Data System (ADS)

Rossi, P.; Karimfazli, I.

2017-11-01

Infinitesimal perturbations are known to decay in a motionless yield stress fluid. We present experimental evidence to reveal other mechanisms promoting free advection from a motionless background state. Development of natural convection in a cavity with differentially heated side-walls is investigated as a benchmark. Velocity and temperature fields are measured using particle image velocimetry/thermometry. We examine time evolution of the flow, compare experimental findings with theoretical predictions and comment on the striking features brought about by the yield stress.
Optical field ionization of atoms and ions using ultrashort laser pulses

NASA Astrophysics Data System (ADS)

Fittinghoff, D. N.

1993-12-01

This dissertation research is an investigation of the strong optical field ionization of atoms and ions by 120-fs, 614-run laser pulses and 130-fs, 800-nm laser pulses. The experiments have shown ionization that is enhanced above the predictions of sequential tunneling models for He(+2), Ne(+2), and Ar(+2). The ion yields for He(+1), Ne(sup +1) and Ar(sup +1) agree well with the theoretical predictions of optical tunneling models. Investigation of the polarization dependence of the ionization indicates that the enhancements are consistent with a nonsequential ionization mechanism in which the linearly polarized field drives the electron wavefunction back toward the ion core and causes double ionization through inelastic e-2e scattering. These investigations have initiated a number of other studies by other groups and are of current scientific interest in the fields of high-irradiance laser-matter interactions and production of high-density plasmas. This work involved the following: (1) Understanding the characteristic nature of the ion yields produced by tunneling ionization through investigation of analytic solutions for tunneling at optical frequencies. (2) Extensive characterization of the pulses produced by 614-nm and 800-ran ultrashort pulse lasers. Absolute calibration of the irradiance scale produced shows the practicality of the inverse problem--measuring peak laser irradiance using ion yields. (3) Measuring the ion yields for three noble gases using linear, circular and elliptical polarizations of laser pulses at 614-nm and 800-nm. The measurements are some of the first measurements for pulse widths as low as 120-fs.
Verification of Plutonium Content in PuBe Sources Using MCNP® 6.2.0 Beta with TENDL 2012 Libraries

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

Lockhart, Madeline Louise; McMath, Garrett Earl

Although the production of PuBe neutron sources has discontinued, hundreds of sources with unknown or inaccurately declared plutonium content are in existence around the world. Institutions have undertaken the task of assaying these sources, measuring, and calculating the isotopic composition, plutonium content, and neutron yield. The nominal plutonium content, based off the neutron yield per gram of pure 239Pu, has shown to be highly inaccurate. New methods of measuring the plutonium content allow a more accurate estimate of the true Pu content, but these measurements need verification. Using the TENDL 2012 nuclear data libraries, MCNP6 has the capability to simulatemore » the (α, n) interactions in a PuBe source. Theoretically, if the source is modeled according to the plutonium content, isotopic composition, and other source characteristics, the calculated neutron yield in MCNP can be compared to the experimental yield, offering an indication of the accuracy of the declared plutonium content. In this study, three sets of PuBe sources from various backgrounds were modeled in MCNP6 1.2 Beta, according to the source specifications dictated by the individuals who assayed the source. Verification of the source parameters with MCNP6 also serves as a means to test the alpha transport capabilities of MCNP6 1.2 Beta with TENDL 2012 alpha transport libraries. Finally, good agreement in the comparison would indicate the accuracy of the source parameters in addition to demonstrating MCNP's capabilities in simulating (α, n) interactions.« less
Verification of Plutonium Content in PuBe Sources Using MCNP® 6.2.0 Beta with TENDL 2012 Libraries

DOE PAGES

Lockhart, Madeline Louise; McMath, Garrett Earl

2017-10-26

Although the production of PuBe neutron sources has discontinued, hundreds of sources with unknown or inaccurately declared plutonium content are in existence around the world. Institutions have undertaken the task of assaying these sources, measuring, and calculating the isotopic composition, plutonium content, and neutron yield. The nominal plutonium content, based off the neutron yield per gram of pure 239Pu, has shown to be highly inaccurate. New methods of measuring the plutonium content allow a more accurate estimate of the true Pu content, but these measurements need verification. Using the TENDL 2012 nuclear data libraries, MCNP6 has the capability to simulatemore » the (α, n) interactions in a PuBe source. Theoretically, if the source is modeled according to the plutonium content, isotopic composition, and other source characteristics, the calculated neutron yield in MCNP can be compared to the experimental yield, offering an indication of the accuracy of the declared plutonium content. In this study, three sets of PuBe sources from various backgrounds were modeled in MCNP6 1.2 Beta, according to the source specifications dictated by the individuals who assayed the source. Verification of the source parameters with MCNP6 also serves as a means to test the alpha transport capabilities of MCNP6 1.2 Beta with TENDL 2012 alpha transport libraries. Finally, good agreement in the comparison would indicate the accuracy of the source parameters in addition to demonstrating MCNP's capabilities in simulating (α, n) interactions.« less
Theoretically Founded Optimization of Auctioneer's Revenues in Expanding Auctions

NASA Astrophysics Data System (ADS)

Rabin, Jonathan; Shehory, Onn

The expanding auction is a multi-unit auction which provides the auctioneer with control over the outcome of the auction by means of dynamically adding items for sale. Previous research on the expanding auction has provided a numeric method to calculate a strategy that optimizes the auctioneer's revenue. In this paper, we analyze various theoretical properties of the expanding auction, and compare it to VCG, a multi-unit auction protocol known in the art. We examine the effects of errors in the auctioneer's estimation of the buyers' maximal bidding values and prove a theoretical bound on the ratio between the revenue yielded by the Informed Decision Strategy (IDS) and the post-optimal strategy. We also analyze the relationship between the auction step and the optimal revenue and introduce a method of computing this optimizing step. We further compare the revenues yielded by the use of IDS with an expanding auction to those of the VCG mechanism and determine the conditions under which the former outperforms the latter. Our work provides new insight into the properties of the expanding auction. It further provides theoretically founded means for optimizing the revenue of auctioneer.
Immobilized Kluyveromyces marxianus cells in carboxymethyl cellulose for production of ethanol from cheese whey: experimental and kinetic studies.

PubMed

Roohina, Fatemeh; Mohammadi, Maedeh; Najafpour, Ghasem D

2016-09-01

Cheese whey fermentation to ethanol using immobilized Kluyveromyces marxianus cells was investigated in batch and continuous operation. In batch fermentation, the yeast cells were immobilized in carboxymethyl cellulose (CMC) polymer and also synthesized graft copolymer of CMC with N-vinyl-2-pyrrolidone, denoted as CMC-g-PVP, and the efficiency of the two developed cell entrapped beads for lactose fermentation to ethanol was examined. The yeast cells immobilized in CMC-g-PVP performed slightly better than CMC with ethanol production yields of 0.52 and 0.49 g ethanol/g lactose, respectively. The effect of supplementation of cheese whey with lactose (42, 70, 100 and 150 g/l) on fermentative performance of K. marxianus immobilized in CMC beads was considered and the results were used for kinetic studies. The first order reaction model was suitable to describe the kinetics of substrate utilization and modified Gompertz model was quite successful to predict the ethanol production. For continuous ethanol fermentation, a packed-bed immobilized cell reactor (ICR) was operated at several hydraulic retention times; HRTs of 11, 15 and 30 h. At the HRT of 30 h, the ethanol production yield using CMC beads was 0.49 g/g which implies that 91.07 % of the theoretical yield was achieved.
Using CAD software to simulate PV energy yield - The case of product integrated photovoltaic operated under indoor solar irradiation

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

Reich, N.H.; van Sark, W.G.J.H.M.; Turkenburg, W.C.

2010-08-15

In this paper, we show that photovoltaic (PV) energy yields can be simulated using standard rendering and ray-tracing features of Computer Aided Design (CAD) software. To this end, three-dimensional (3-D) sceneries are ray-traced in CAD. The PV power output is then modeled by translating irradiance intensity data of rendered images back into numerical data. To ensure accurate results, the solar irradiation data used as input is compared to numerical data obtained from rendered images, showing excellent agreement. As expected, also ray-tracing precision in the CAD software proves to be very high. To demonstrate PV energy yield simulations using this innovativemore » concept, solar radiation time course data of a few days was modeled in 3-D to simulate distributions of irradiance incident on flat, single- and double-bend shapes and a PV powered computer mouse located on a window sill. Comparisons of measured to simulated PV output of the mouse show that also in practice, simulation accuracies can be very high. Theoretically, this concept has great potential, as it can be adapted to suit a wide range of solar energy applications, such as sun-tracking and concentrator systems, Building Integrated PV (BIPV) or Product Integrated PV (PIPV). However, graphical user interfaces of 'CAD-PV' software tools are not yet available. (author)« less

Biochar enables anaerobic digestion of aqueous phase from intermediate pyrolysis of biomass.

PubMed

Torri, Cristian; Fabbri, Daniele

2014-11-01

Intermediate pyrolysis produces a two-phase liquid whose aqueous phase is characterized by low heating value and high water content (aqueous pyrolysis liquid, APL). Anaerobic digestion can be the straightest way to produce a fuel (methane) from this material. Batch tests showed poor performance in anaerobic digestion of APL, which underlined the inhibition of biological process. Nutrient supplementation was ineffective, whereas biochar addition increased yield of methane (60±15% of theoretical) with respect to pure APL (34±6% of theoretical) and improved the reaction rate. On the basis of batch results, a semi-continuous biomethanation test was set up, by adding an increasingly amount of APL in a 30ml reactor preloaded with biochar (0.8gml(-1)). With a daily input of 5gd(-1)l(-1) of APL (corresponding to overall amount of 0.1kgl(-1) added before the end of the study) the yield of methane was 65±5% of the theoretical. Copyright © 2014 Elsevier Ltd. All rights reserved.
Suspensions of Noncolloidal Particles in Yield Stress Fluids: Experimental and Micromechanical Approaches

NASA Astrophysics Data System (ADS)

Mahaut, Fabien; Bertrand, François; Coussot, Philippe; Chateau, Xavier; Ovarlez, Guillaume

2008-07-01

We study experimentally and theoretically the behavior of suspensions of noncolloidal particles in yield stress fluids. We develop procedures and materials that allow focusing on the purely mechanical contribution of the particles to the yield stress fiuid behavior, allowing relating the macroscopic properties of these suspensions to the mechanical properties of the yield stress fluid and the particle volume fraction. We find that the elastic modulus/concentration relationship follows a Krieger-Dougherty law, and show that the yield stress/concentration relationship is related to the elastic modulus/concentration relationship through a very simple law, in agreement with a micromechanical analysis. We finally present evidence for shear-induced migration in the flows of these suspensions.
Constitutive model for porous materials

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

Weston, A.M.; Lee, E.L.

1982-01-01

A simple pressure versus porosity compaction model is developed to calculate the response of granular porous bed materials to shock impact. The model provides a scheme for calculating compaction behavior when relatively limited material data are available. While the model was developed to study porous explosives and propellants, it has been applied to a much wider range of materials. The early development of porous material models, such as that of Hermann, required empirical dynamic compaction data. Erkman and Edwards successfully applied the early theory to unreacted porous high explosives using a Gruneisen equation of state without yield behavior and withoutmore » trapped gas in the pores. Butcher included viscoelastic rate dependance in pore collapse. The theoretical treatment of Carroll and Holt is centered on the collapse of a circular pore and includes radial inertia terms and a complex set of stress, strain and strain rate constitutive parameters. Unfortunately data required for these parameters are generally not available. The model described here is also centered on the collapse of a circular pore, but utilizes a simpler elastic-plastic static equilibrium pore collapse mechanism without strain rate dependence, or radial inertia terms. It does include trapped gas inside the pore, a solid material flow stress that creates both a yield point and a variation in solid material pressure with radius. The solid is described by a Mie-Gruneisen type EOS. Comparisons show that this model will accurately estimate major mechanical features which have been observed in compaction experiments.« less
Improved computer simulation of the TCAS 3 circular array mounted on an aircraft

NASA Astrophysics Data System (ADS)

Rojas, R. G.; Chen, Y. C.; Burnside, Walter D.

1989-03-01

The Traffic advisory and Collision Avoidance System (TCAS) is being developed by the Federal Aviation Administration (FAA) to assist aircraft pilots in mid-air collision avoidance. This report concentrates on the computer simulation of the enchanced TCAS 2 systems mounted on a Boeing 727. First, the moment method is used to obtain an accurate model for the enhanced TCAS 2 antenna array. Then, the OSU Aircraft Code is used to generate theoretical radiation patterns of this model mounted on a simulated Boeing 727 model. Scattering error curves obtained from these patterns can be used to evaluate the performance of this system in determining the angular position of another aircraft with respect to the TCAS-equipped aircraft. Finally, the tracking of another aircraft is simulated when the TCAS-equipped aircraft follows a prescribed escape curve. In short, the computer models developed in this report have generality, completeness and yield reasonable results.
Pair potentials for warm dense matter and their application to x-ray Thomson scattering in aluminum and beryllium.

PubMed

Harbour, L; Dharma-Wardana, M W C; Klug, D D; Lewis, L J

2016-11-01

Ultrafast laser experiments yield increasingly reliable data on warm dense matter, but their interpretation requires theoretical models. We employ an efficient density functional neutral-pseudoatom hypernetted-chain (NPA-HNC) model with accuracy comparable to ab initio simulations and which provides first-principles pseudopotentials and pair potentials for warm-dense matter. It avoids the use of (i) ad hoc core-repulsion models and (ii) "Yukawa screening" and (iii) need not assume ion-electron thermal equilibrium. Computations of the x-ray Thomson scattering (XRTS) spectra of aluminum and beryllium are compared with recent experiments and with density-functional-theory molecular-dynamics (DFT-MD) simulations. The NPA-HNC structure factors, compressibilities, phonons, and conductivities agree closely with DFT-MD results, while Yukawa screening gives misleading results. The analysis of the XRTS data for two of the experiments, using two-temperature quasi-equilibrium models, is supported by calculations of their temperature relaxation times.
Bioelectrochemical enhancement of methane production from highly concentrated food waste in a combined anaerobic digester and microbial electrolysis cell.

PubMed

Park, Jungyu; Lee, Beom; Tian, Donjie; Jun, Hangbae

2018-01-01

A microbial electrolysis cell (MEC) is a promising technology for enhancing biogas production from an anaerobic digestion (AD) reactor. In this study, the effects of the MEC on the rate of methane production from food waste were examined by comparing an AD reactor with an AD reactor combined with a MEC (AD+MEC). The use of the MEC accelerated methane production and stabilization via rapid organic oxidation and rapid methanogenesis. Over the total experimental period, the methane production rate and stabilization time of the AD+MEC reactor were approximately 1.7 and 4.0 times faster than those of the AD reactor. Interestingly however, at the final steady state, the methane yields of both the reactors were similar to the theoretical maximum methane yield. Based on these results, the MEC did not increase the methane yield over the theoretical value, but accelerated methane production and stabilization by bioelectrochemical reactions. Copyright © 2017 Elsevier Ltd. All rights reserved.
Low-temperature limitation of bioreactor sludge in anaerobic treatment of domestic wastewater.

PubMed

Bowen, Emma J; Dolfing, Jan; Davenport, Russell J; Read, Fiona L; Curtis, Thomas P

2014-01-01

Two strategies exist for seeding low-temperature anaerobic reactors: the use of specialist psychrophilic biomass or mesophilic bioreactor sludge acclimated to low temperature. We sought to determine the low-temperature limitation of anaerobic sludge from a bioreactor acclimated to UK temperatures (<15 °C). Anaerobic incubation tests using low-strength real domestic wastewater (DWW) and various alternative soluble COD sources were conducted at 4, 8 and 15 °C; methanogenesis and acidogenesis were monitored separately. Production of methane and acetate was observed; decreasing temperature resulted in decreased yields and increased 'start-up' times. At 4 °C methanogenesis not hydrolysis/acidogenesis was rate-limiting. The final methane yields at 4 °C were less than 35% of the theoretical potential whilst at 8 and 15 °C more than 75 and 100% of the theoretical yield was achieved respectively. We propose that the lower temperature limit for DWW treatment with anaerobic bioreactor sludge lies between 8 and 4 °C and that 8 °C is the threshold for reliable operation.
Exploring the evolutionary mechanism of complex supply chain systems using evolving hypergraphs

NASA Astrophysics Data System (ADS)

Suo, Qi; Guo, Jin-Li; Sun, Shiwei; Liu, Han

2018-01-01

A new evolutionary model is proposed to describe the characteristics and evolution pattern of supply chain systems using evolving hypergraphs, in which nodes represent enterprise entities while hyperedges represent the relationships among diverse trades. The nodes arrive at the system in accordance with a Poisson process, with the evolving process incorporating the addition of new nodes, linking of old nodes, and rewiring of links. Grounded in the Poisson process theory and continuum theory, the stationary average hyperdegree distribution is shown to follow a shifted power law (SPL), and the theoretical predictions are consistent with the results of numerical simulations. Testing the impact of parameters on the model yields a positive correlation between hyperdegree and degree. The model also uncovers macro characteristics of the relationships among enterprises due to the microscopic interactions among individuals.
Low-energy electron scattering from atomic hydrogen. I. Ionization

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

Childers, J.G.; James, K.E. Jr.; Bray, Igor

2004-02-01

Absolute doubly differential cross sections for the ionization of atomic hydrogen by electron impact have been measured at energies ranging from near threshold to intermediate values. The measurements are normalized to the accurate differential cross section for the electron-impact excitation of the H 1 {sup 2}S{yields}2 {sup 2}S+2 {sup 2}P transition. These measurements were made possible through the use of a moveable target source which enables the collection of hydrogen energy loss spectra free of all backgrounds. The measurements cover the incident electron energy range of 14.6-40 eV and scattering angles from 12 deg. to 127 deg., and are inmore » very good agreement with the results of the latest theoretical models--the convergent close-coupling model and the exterior complex scaling model.« less
A multiloop generalization of the circle criterion for stability margin analysis

NASA Technical Reports Server (NTRS)

Safonov, M. G.; Athans, M.

1979-01-01

In order to provide a theoretical tool suited for characterizing the stability margins of multiloop feedback systems, multiloop input-output stability results generalizing the circle stability criterion are considered. Generalized conic sectors with 'centers' and 'radii' determined by linear dynamical operators are employed to specify the stability margins as a frequency dependent convex set of modeling errors (including nonlinearities, gain variations and phase variations) which the system must be able to tolerate in each feedback loop without instability. The resulting stability criterion gives sufficient conditions for closed loop stability in the presence of frequency dependent modeling errors, even when the modeling errors occur simultaneously in all loops. The stability conditions yield an easily interpreted scalar measure of the amount by which a multiloop system exceeds, or falls short of, its stability margin specifications.
Effect of wave function on the proton induced L XRP cross sections for 62Sm and 74W

NASA Astrophysics Data System (ADS)

Shehla, Kaur, Rajnish; Kumar, Anil; Puri, Sanjiv

2015-08-01

The Lk(k= 1, α, β, γ) X-ray production cross sections have been calculated for 74W and 62Sm at different incident proton energies ranging 1-5 MeV using theoretical data sets of different physical parameters, namely, the Li(i=1-3) sub-shell X-ray emission rates based on the Dirac-Fork (DF) model, the fluorescence and Coster Kronig yields based on the Dirac- Hartree-Slater (DHS) model and two sets the proton ionization cross sections based on the DHS model and the ECPSSR in order to assess the influence of the wave function on the XRP cross sections. The calculated cross sections have been compared with the measured cross sections reported in the recent compilation to check the reliability of the calculated values.
Importance of the nature of comparison conditions for testing theory-based interventions: comment on Michie and Prestwich (2010).

PubMed

Williams, David M

2010-09-01

Comments on the original article 'Are interventions theory-based? Development of a theory coding scheme' by Susan Michie and Andrew Prestwich (see record 2010-00152-001). In their admirable effort to develop a coding scheme for the theoretical contribution of intervention research, Michie and Prestwich rightly point out the importance of the presence of a comparison condition when examining the effect of an intervention on targeted theoretical variables and behavioral outcomes (Table 2, item 15). However, they fail to discuss the critical importance of the nature of the comparison condition. Weaker comparison conditions will yield stronger intervention effects; stronger comparison conditions will yield a stronger science of behavior change. (c) 2010 APA, all rights reserved).
On the importance of avoiding shortcuts in applying cognitive models to hierarchical data.

PubMed

Boehm, Udo; Marsman, Maarten; Matzke, Dora; Wagenmakers, Eric-Jan

2018-06-12

Psychological experiments often yield data that are hierarchically structured. A number of popular shortcut strategies in cognitive modeling do not properly accommodate this structure and can result in biased conclusions. To gauge the severity of these biases, we conducted a simulation study for a two-group experiment. We first considered a modeling strategy that ignores the hierarchical data structure. In line with theoretical results, our simulations showed that Bayesian and frequentist methods that rely on this strategy are biased towards the null hypothesis. Secondly, we considered a modeling strategy that takes a two-step approach by first obtaining participant-level estimates from a hierarchical cognitive model and subsequently using these estimates in a follow-up statistical test. Methods that rely on this strategy are biased towards the alternative hypothesis. Only hierarchical models of the multilevel data lead to correct conclusions. Our results are particularly relevant for the use of hierarchical Bayesian parameter estimates in cognitive modeling.
WINGS: WFIRST Infrared Nearby Galaxy Survey

NASA Astrophysics Data System (ADS)

Williams, Benjamin

WFIRST's combination of wide field and high resolution will revolutionize the study of nearby galaxies. We propose to produce and analyze simulated WFIRST data of nearby galaxies and their halos to maximize the scientific yield in the limited observing time available, ensuring the legacy value of WFIRST's eventual archive. We will model both halo structure and resolved stellar populations to optimize WFIRST's constraints on both dark matter and galaxy formation models in the local universe. WFIRST can map galaxy structure down to ~35 mag/square arcsecond using individual stars. The resulting maps of stellar halos and accreting dwarf companions will provide stringent tests of galaxy formation and dark matter models on galactic (and even sub-galactic) scales, which is where the most theoretical tension exists with the Lambda-CDM model. With a careful, coordinated plan, WFIRST can be expected to improve current sample sizes by 2 orders of magnitude, down to surface brightness limits comparable to those currently reached only in the Local Group, and that are >4 magnitudes fainter than achievable from the ground due to limitations in star-galaxy separation. WFIRST's maps of galaxy halos will simultaneously produce photometry for billions of stars in the main bodies of galaxies within 10 Mpc. These data will transform studies of star formation histories that track stellar mass growth as a function of time and position within a galaxy. They also will constrain critical stellar evolution models of the near-infrared bright, rapidly evolving stars that can contribute significantly to the integrated light of galaxies in the near-infrared. Thus, with WFIRST we can derive the detailed evolution of individual galaxies, reconstruct the complete history of star formation in the nearby universe, and put crucial constraints on the theoretical models used to interpret near-infrared extragalactic observations. We propose a three-component work plan that will ensure these gains by testing and optimizing WFIRST observing strategies and providing science guidance to trade studies of observatory requirements such as field of view, pixel scale and filter selection. First, we will perform extensive simulations of galaxies' halo substructures and stellar populations that will be used as input for optimizing observing strategies and sample selection. Second, we will develop a pipeline that optimizes stellar photometry, proper motion, and variability measurements with WFIRST. This software will: maximize data quality & scientific yield; provide essential, independent calibrations to the larger WFIRST efforts; and rapidly provide accurate photometry and astrometry to the community. Third, we will derive quantitative performance metrics to fairly evaluate trade-offs between different survey strategies and WFIRST performance capabilities. The end result of this effort will be: (1) an efficient survey strategy that maximizes the scientific yield of what would otherwise be a chaotic archive of observations from small, un-coordinated programs; (2) a suite of analysis tools and a state-of-the-art pipeline that can be deployed after launch to rapidly deliver stellar photometry to the public; (3) a platform to independently verify the calibration and point spread function modeling that are essential to the primary WFIRST goals, but that are best tested from images of stellar populations. These activities will be carried out by a Science Investigation Team that has decades of experience in using nearby galaxies to inform fundamental topics in astrophysics. This team is composed of researchers who have led the charge in observational and theoretical studies of resolved stellar populations and stellar halos. With our combined background, we are poised to take full advantage of the large field of view and high spatial resolution WFIRST will offer.
Theoretical and computer models of detonation in solid explosives

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

Tarver, C.M.; Urtiew, P.A.

1997-10-01

Recent experimental and theoretical advances in understanding energy transfer and chemical kinetics have led to improved models of detonation waves in solid explosives. The Nonequilibrium Zeldovich - von Neumann - Doring (NEZND) model is supported by picosecond laser experiments and molecular dynamics simulations of the multiphonon up-pumping and internal vibrational energy redistribution (IVR) processes by which the unreacted explosive molecules are excited to the transition state(s) preceding reaction behind the leading shock front(s). High temperature, high density transition state theory calculates the induction times measured by laser interferometric techniques. Exothermic chain reactions form product gases in highly excited vibrational states,more » which have been demonstrated to rapidly equilibrate via supercollisions. Embedded gauge and Fabry-Perot techniques measure the rates of reaction product expansion as thermal and chemical equilibrium is approached. Detonation reaction zone lengths in carbon-rich condensed phase explosives depend on the relatively slow formation of solid graphite or diamond. The Ignition and Growth reactive flow model based on pressure dependent reaction rates and Jones-Wilkins-Lee (JWL) equations of state has reproduced this nanosecond time resolved experimental data and thus has yielded accurate average reaction zone descriptions in one-, two- and three- dimensional hydrodynamic code calculations. The next generation reactive flow model requires improved equations of state and temperature dependent chemical kinetics. Such a model is being developed for the ALE3D hydrodynamic code, in which heat transfer and Arrhenius kinetics are intimately linked to the hydrodynamics.« less
Production of bioethanol from wheat straw: An overview on pretreatment, hydrolysis and fermentation.

PubMed

Talebnia, Farid; Karakashev, Dimitar; Angelidaki, Irini

2010-07-01

Wheat straw is an abundant agricultural residue with low commercial value. An attractive alternative is utilization of wheat straw for bioethanol production. However, production costs based on the current technology are still too high, preventing commercialization of the process. In recent years, progress has been made in developing more effective pretreatment and hydrolysis processes leading to higher yield of sugars. The focus of this paper is to review the most recent advances in pretreatment, hydrolysis and fermentation of wheat straw. Based on the type of pretreatment method applied, a sugar yield of 74-99.6% of maximum theoretical was achieved after enzymatic hydrolysis of wheat straw. Various bacteria, yeasts and fungi have been investigated with the ethanol yield ranging from 65% to 99% of theoretical value. So far, the best results with respect to ethanol yield, final ethanol concentration and productivity were obtained with the native non-adapted Saccharomyses cerevisiae. Some recombinant bacteria and yeasts have shown promising results and are being considered for commercial scale-up. Wheat straw biorefinery could be the near-term solution for clean, efficient and economically-feasible production of bioethanol as well as high value-added products. Copyright 2009 Elsevier Ltd. All rights reserved.
Beyond a series of security nets: Applying STAMP & STPA to port security

DOE PAGES

Williams, Adam D.

2015-11-17

Port security is an increasing concern considering the significant role of ports in global commerce and today’s increasingly complex threat environment. Current approaches to port security mirror traditional models of accident causality -- ‘a series of security nets’ based on component reliability and probabilistic assumptions. Traditional port security frameworks result in isolated and inconsistent improvement strategies. Recent work in engineered safety combines the ideas of hierarchy, emergence, control and communication into a new paradigm for understanding port security as an emergent complex system property. The ‘System-Theoretic Accident Model and Process (STAMP)’ is a new model of causality based on systemsmore » and control theory. The associated analysis process -- System Theoretic Process Analysis (STPA) -- identifies specific technical or procedural security requirements designed to work in coordination with (and be traceable to) overall port objectives. This process yields port security design specifications that can mitigate (if not eliminate) port security vulnerabilities related to an emphasis on component reliability, lack of coordination between port security stakeholders or economic pressures endemic in the maritime industry. As a result, this article aims to demonstrate how STAMP’s broader view of causality and complexity can better address the dynamic and interactive behaviors of social, organizational and technical components of port security.« less
The importance of multi-level Rydberg interaction in electric field tuned Förster resonances

NASA Astrophysics Data System (ADS)

Kondo, Jorge; Booth, Donald; Gonçalves, Luis; Shaffer, James; Marcassa, Luis

2016-05-01

Many-body physics has been investigated in ultracold Rydberg atom systems, mainly because important parameters, such as density and interaction strength, can be controlled. Several puzzling experimental observations on Förster resonances have been associated to many-body effects, usually by comparison to complex theoretical models. In this work, we investigate the dc electric field dependence of 2 Förster resonant processes in ultracold 85 Rb, 37D5 / 2 + 37D5 / 2 --> 35 L(L = O , Q) + 39P3 / 2 , as a function of the atomic density in an optical dipole trap. At low densities, the 39 P yield as a function of electric field exhibits resonances. With increasing density, the linewidths increase until the peaks merge. Even under these extreme conditions, where many-body effects were expected to play a role, the 39 P population depends quadratically on the total Rydberg atom population. In order to explain our results, we implement a theoretical model which takes into account the multi-level character of the interactions and Rydberg atom blockade process using only atom pair interactions. The comparison between the experimental data and the model is very good, suggesting that the Förster resonant processes are dominated by 2-body interactions. This work is supported by FAPESP, AFOSR, NSF, INCT-IQ and CNPq.
Beyond a series of security nets: Applying STAMP & STPA to port security

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

Williams, Adam D.

Port security is an increasing concern considering the significant role of ports in global commerce and today’s increasingly complex threat environment. Current approaches to port security mirror traditional models of accident causality -- ‘a series of security nets’ based on component reliability and probabilistic assumptions. Traditional port security frameworks result in isolated and inconsistent improvement strategies. Recent work in engineered safety combines the ideas of hierarchy, emergence, control and communication into a new paradigm for understanding port security as an emergent complex system property. The ‘System-Theoretic Accident Model and Process (STAMP)’ is a new model of causality based on systemsmore » and control theory. The associated analysis process -- System Theoretic Process Analysis (STPA) -- identifies specific technical or procedural security requirements designed to work in coordination with (and be traceable to) overall port objectives. This process yields port security design specifications that can mitigate (if not eliminate) port security vulnerabilities related to an emphasis on component reliability, lack of coordination between port security stakeholders or economic pressures endemic in the maritime industry. As a result, this article aims to demonstrate how STAMP’s broader view of causality and complexity can better address the dynamic and interactive behaviors of social, organizational and technical components of port security.« less
Theoretical analysis and simulation of the influence of self-bunching effects and longitudinal space charge effects on the propagation of keV electron bunch produced by a novel S-band Micro-Pulse electron Gun

NASA Astrophysics Data System (ADS)

Zhao, Jifei; Lu, Xiangyang; Zhou, Kui; Yang, Ziqin; Yang, Deyu; Luo, Xing; Tan, Weiwei; Yang, Yujia

2016-06-01

As an important electron source, Micro-Pulse electron Gun (MPG) which is qualified for producing high average current, short pulse, low emittance electron bunches steadily holds promise to use as an electron source of Coherent Smith-Purcell Radiation (CSPR), Free Electron Laser (FEL). The stable output of S-band MPG has been achieved in many labs. To establish reliable foundation for the future application of it, the propagation of picosecond electron bunch produced by MPG should be studied in detail. In this article, the MPG which was working on the rising stage of total effective Secondary Electron Yield (SEY) curve was introduced. The self-bunching mechanism was discussed in depth both in the multipacting amplifying state and the steady working state. The bunch length broadening induced by the longitudinal space-charge (SC) effects was investigated by different theoretical models in different regions. The 2D PIC codes MAGIC and beam dynamic codes TraceWin simulations were also performed in the propagation. The result shows an excellent agreement between the simulation and the theoretical analysis for bunch length evolution.

Does observability affect prosociality?

PubMed

Bradley, Alex; Lawrence, Claire; Ferguson, Eamonn

2018-03-28

The observation of behaviour is a key theoretical parameter underlying a number of models of prosociality. However, the empirical findings showing the effect of observability on prosociality are mixed. In this meta-analysis, we explore the boundary conditions that may account for this variability, by exploring key theoretical and methodological moderators of this link. We identified 117 papers yielding 134 study level effects (total n = 788 164) and found a small but statistically significant, positive association between observability and prosociality ( r = 0.141, 95% confidence interval = 0.106, 0.175). Moderator analysis showed that observability produced stronger effects on prosociality: (i) in the presence of passive observers (i.e. people whose role was to only observe participants) versus perceptions of being watched, (ii) when participants' decisions were consequential (versus non-consequential), (iii) when the studies were performed in the laboratory (as opposed to in the field/online), (iv) when the studies used repeated measures (instead of single games), and (v) when the studies involved social dilemmas (instead of bargaining games). These effects show the conditions under which observability effects on prosociality will be maximally observed. We describe the theoretical and practical significance of these results. © 2018 The Authors.
Does observability affect prosociality?

PubMed Central

Lawrence, Claire

2018-01-01

The observation of behaviour is a key theoretical parameter underlying a number of models of prosociality. However, the empirical findings showing the effect of observability on prosociality are mixed. In this meta-analysis, we explore the boundary conditions that may account for this variability, by exploring key theoretical and methodological moderators of this link. We identified 117 papers yielding 134 study level effects (total n = 788 164) and found a small but statistically significant, positive association between observability and prosociality (r = 0.141, 95% confidence interval = 0.106, 0.175). Moderator analysis showed that observability produced stronger effects on prosociality: (i) in the presence of passive observers (i.e. people whose role was to only observe participants) versus perceptions of being watched, (ii) when participants’ decisions were consequential (versus non-consequential), (iii) when the studies were performed in the laboratory (as opposed to in the field/online), (iv) when the studies used repeated measures (instead of single games), and (v) when the studies involved social dilemmas (instead of bargaining games). These effects show the conditions under which observability effects on prosociality will be maximally observed. We describe the theoretical and practical significance of these results. PMID:29593114
A mathematical approach for evaluating Markov models in continuous time without discrete-event simulation.

PubMed

van Rosmalen, Joost; Toy, Mehlika; O'Mahony, James F

2013-08-01

Markov models are a simple and powerful tool for analyzing the health and economic effects of health care interventions. These models are usually evaluated in discrete time using cohort analysis. The use of discrete time assumes that changes in health states occur only at the end of a cycle period. Discrete-time Markov models only approximate the process of disease progression, as clinical events typically occur in continuous time. The approximation can yield biased cost-effectiveness estimates for Markov models with long cycle periods and if no half-cycle correction is made. The purpose of this article is to present an overview of methods for evaluating Markov models in continuous time. These methods use mathematical results from stochastic process theory and control theory. The methods are illustrated using an applied example on the cost-effectiveness of antiviral therapy for chronic hepatitis B. The main result is a mathematical solution for the expected time spent in each state in a continuous-time Markov model. It is shown how this solution can account for age-dependent transition rates and discounting of costs and health effects, and how the concept of tunnel states can be used to account for transition rates that depend on the time spent in a state. The applied example shows that the continuous-time model yields more accurate results than the discrete-time model but does not require much computation time and is easily implemented. In conclusion, continuous-time Markov models are a feasible alternative to cohort analysis and can offer several theoretical and practical advantages.
Absolute 1* quantum yields for the ICN A state by diode laser gain versus absorption spectroscopy

NASA Technical Reports Server (NTRS)

Hess, Wayne P.; Leone, Stephen R.

1987-01-01

Absolute I* quantum yields were measured as a function of wavelength for room temperature photodissociation of the ICN A state continuum. The temperature yields are obtained by the technique of time-resolved diode laser gain-versus-absorption spectroscopy. Quantum yields are evaluated at seven wavelengths from 248 to 284 nm. The yield at 266 nm is 66.0 +/- 2% and it falls off to 53.4 +/- 2% and 44.0 +/- 4% at 284 and 248 respectively. The latter values are significantly higher than those obtained by previous workers using infrared fluorescence. Estimates of I* quantum yields obtained from analysis of CN photofragment rotational distributions, as discussed by other workers, are in good agreement with the I* yields. The results are considered in conjunction with recent theoretical and experimental work on the CN rotational distributions and with previous I* yield results.
Three-dimensional Reconstruction of Scar Contracture-bearing Axilla and Digital Webs Using the Square Flap Method.

PubMed

Huang, Chenyu; Ogawa, Rei

2014-05-01

Joint scar contractures are characterized by tight bands of soft tissue that bridge the 2 ends of the joint like a web. Classical treatment methods such as Z-plasties are mainly based on 2-dimensional designs. Our square flap method is an alternative surgical method that restores the span of the web in a stereometric fashion, thereby reconstructing joint function. In total, 20 Japanese patients with joint scar contractures on the axillary (n = 10) or first digital web (n = 10) underwent square flap surgery. The maximum range of motion and commissure length were measured before and after surgery. A theoretical stereometric geometrical model of the square flap was established to compare it to the classical single (60 degree), 4-flap (45 degree), and 5-flap (60 degree) Z-plasties in terms of theoretical web reconstruction efficacy. All cases achieved 100% contracture release. The maximum range of motion and web space improved after square flap surgery (P = 0.001). Stereometric geometrical modeling revealed that the standard square flap (α = 45 degree; β = 90 degree) yields a larger flap area, length/width ratio, and postsurgical commissure length than the Z-plasties. It can also be adapted by varying angles α and β, although certain angle thresholds must be met to obtain the stereometric advantages of this method. When used to treat joint scar contractures, the square flap method can fully span the web space in a stereometric manner, thus yielding a close-to-original shape and function. Compared with the classical Z-plasties, it also provides sufficient anatomical blood supply while imposing the least physiological tension on the adjacent skin.
Three-dimensional Reconstruction of Scar Contracture-bearing Axilla and Digital Webs Using the Square Flap Method

PubMed Central

Huang, Chenyu

2014-01-01

Background: Joint scar contractures are characterized by tight bands of soft tissue that bridge the 2 ends of the joint like a web. Classical treatment methods such as Z-plasties are mainly based on 2-dimensional designs. Our square flap method is an alternative surgical method that restores the span of the web in a stereometric fashion, thereby reconstructing joint function. Methods: In total, 20 Japanese patients with joint scar contractures on the axillary (n = 10) or first digital web (n = 10) underwent square flap surgery. The maximum range of motion and commissure length were measured before and after surgery. A theoretical stereometric geometrical model of the square flap was established to compare it to the classical single (60 degree), 4-flap (45 degree), and 5-flap (60 degree) Z-plasties in terms of theoretical web reconstruction efficacy. Results: All cases achieved 100% contracture release. The maximum range of motion and web space improved after square flap surgery (P = 0.001). Stereometric geometrical modeling revealed that the standard square flap (α = 45 degree; β = 90 degree) yields a larger flap area, length/width ratio, and postsurgical commissure length than the Z-plasties. It can also be adapted by varying angles α and β, although certain angle thresholds must be met to obtain the stereometric advantages of this method. Conclusions: When used to treat joint scar contractures, the square flap method can fully span the web space in a stereometric manner, thus yielding a close-to-original shape and function. Compared with the classical Z-plasties, it also provides sufficient anatomical blood supply while imposing the least physiological tension on the adjacent skin. PMID:25289342
Theoretical Neuroanatomy:Analyzing the Structure, Dynamics,and Function of Neuronal Networks

NASA Astrophysics Data System (ADS)

Seth, Anil K.; Edelman, Gerald M.

The mammalian brain is an extraordinary object: its networks give rise to our conscious experiences as well as to the generation of adaptive behavior for the organism within its environment. Progress in understanding the structure, dynamics and function of the brain faces many challenges. Biological neural networks change over time, their detailed structure is difficult to elucidate, and they are highly heterogeneous both in their neuronal units and synaptic connections. In facing these challenges, graph-theoretic and information-theoretic approaches have yielded a number of useful insights and promise many more.
Study of B to pi l nu and B to rho l nu Decays and Determination of |V_ub|

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

del Amo Sanchez, P.; Lees, J.P.; Poireau, V.

2011-12-09

We present an analysis of exclusive charmless semileptonic B-meson decays based on 377 million B{bar B} pairs recorded with the BABAR detector at the {Upsilon} (4S) resonance. We select four event samples corresponding to the decay modes B{sup 0} {yields} {pi}{sup -}{ell}{sup +}{nu}, B{sup +} {yields} {pi}{sup 0}{ell}{sup +}{nu}, B{sup 0} {yields} {rho}{sup -}{ell}{sup +}{nu}, and B{sup +} {yields} {rho}{sup 0}{ell}{sup +}{nu}, and find the measured branching fractions to be consistent with isospin symmetry. Assuming isospin symmetry, we combine the two B {yields} {pi}{ell}{nu} samples, and similarly the two B {yields} {rho}{ell}{nu} samples, and measure the branching fractions {Beta}(B{sup 0}more » {yields} {pi}{sup -}{ell}{sup +}{nu}) = (1.41 {+-} 0.05 {+-} 0.07) x 10{sup -4} and {Beta}(B{sup 0} {yields} {rho}{sup 0}{ell}{sup +}{nu}) = (1.75 {+-} 0.15 {+-} 0.27) x 10{sup -4}, where the errors are statistical and systematic. We compare the measured distribution in q{sup 2}, the momentum transfer squared, with predictions for the form factors from QCD calculations and determine the CKM matrix element |V{sub ub}|. Based on the measured partial branching fraction for B {yields} {pi}{ell}{nu} in the range q{sup 2} < 12 GeV{sup 2} and the most recent LCSR calculations we obtain |V{sub ub}| = (3.78 {+-} 0.13{sub -0.40}{sup +0.55}) x 10{sup -3}, where the errors refer to the experimental and theoretical uncertainties. From a simultaneous fit to the data over the full q{sup 2} range and the FNAL/MILC lattice QCD results, we obtain |V{sub ub}| = (2.95 {+-} 0.31) x 10{sup -3} from B {yields} {pi}{ell}{nu}, where the error is the combined experimental and theoretical uncertainty.« less
Probability of survival during accidental immersion in cold water.

PubMed

Wissler, Eugene H

2003-01-01

Estimating the probability of survival during accidental immersion in cold water presents formidable challenges for both theoreticians and empirics. A number of theoretical models have been developed assuming that death occurs when the central body temperature, computed using a mathematical model, falls to a certain level. This paper describes a different theoretical approach to estimating the probability of survival. The human thermal model developed by Wissler is used to compute the central temperature during immersion in cold water. Simultaneously, a survival probability function is computed by solving a differential equation that defines how the probability of survival decreases with increasing time. The survival equation assumes that the probability of occurrence of a fatal event increases as the victim's central temperature decreases. Generally accepted views of the medical consequences of hypothermia and published reports of various accidents provide information useful for defining a "fatality function" that increases exponentially with decreasing central temperature. The particular function suggested in this paper yields a relationship between immersion time for 10% probability of survival and water temperature that agrees very well with Molnar's empirical observations based on World War II data. The method presented in this paper circumvents a serious difficulty with most previous models--that one's ability to survive immersion in cold water is determined almost exclusively by the ability to maintain a high level of shivering metabolism.
Estimates of cost-effectiveness of prehospital continuous positive airway pressure in the management of acute pulmonary edema.

PubMed

Hubble, Michael W; Richards, Michael E; Wilfong, Denise A

2008-01-01

To estimate the cost-effectiveness of continuous positive airway pressure (CPAP) in managing prehospital acute pulmonary edema in an urban EMS system. Using estimates from published reports on prehospital and emergency department CPAP, a cost-effectiveness model of implementing CPAP in a typical urban EMS system was derived from the societal perspective as well as the perspective of the implementing EMS system. To assess the robustness of the model, a series of univariate and multivariate sensitivity analyses was performed on the input variables. The cost of consumables, equipment, and training yielded a total cost of $89 per CPAP application. The theoretical system would be expected to use CPAP 4 times per 1000 EMS patients and is expected to save 0.75 additional lives per 1000 EMS patients at a cost of $490 per life saved. CPAP is also expected to result in approximately one less intubation per 6 CPAP applications and reduce hospitalization costs by $4075 per year for each CPAP application. Through sensitivity analyses the model was verified to be robust across a wide range of input variable assumptions. Previous studies have demonstrated the clinical effectiveness of CPAP in the management of acute pulmonary edema. Through a theoretical analysis which modeled the costs and clinical benefits of implementing CPAP in an urban EMS system, prehospital CPAP appears to be a cost-effective treatment.
Impact and Penetration Problems.

DTIC Science & Technology

1981-03-16

constant is now determined theoretically. iii) By utilizing the formal similarity between the two criteria (1) and (3), we can predict the theoretical...cohesive strengths of various crystals. Once the experimental value for y is given, the calculations can be carried 4 out easily to determine the...analytical solution to the mixed boundary value problem yields the nonlocal displacement and stress fields. The nonlocal parameter c is determined by
Linear Transforms for Fourier Data on the Sphere: Application to High Angular Resolution Diffusion MRI of the Brain

PubMed Central

Haldar, Justin P.; Leahy, Richard M.

2013-01-01

This paper presents a novel family of linear transforms that can be applied to data collected from the surface of a 2-sphere in three-dimensional Fourier space. This family of transforms generalizes the previously-proposed Funk-Radon Transform (FRT), which was originally developed for estimating the orientations of white matter fibers in the central nervous system from diffusion magnetic resonance imaging data. The new family of transforms is characterized theoretically, and efficient numerical implementations of the transforms are presented for the case when the measured data is represented in a basis of spherical harmonics. After these general discussions, attention is focused on a particular new transform from this family that we name the Funk-Radon and Cosine Transform (FRACT). Based on theoretical arguments, it is expected that FRACT-based analysis should yield significantly better orientation information (e.g., improved accuracy and higher angular resolution) than FRT-based analysis, while maintaining the strong characterizability and computational efficiency of the FRT. Simulations are used to confirm these theoretical characteristics, and the practical significance of the proposed approach is illustrated with real diffusion weighted MRI brain data. These experiments demonstrate that, in addition to having strong theoretical characteristics, the proposed approach can outperform existing state-of-the-art orientation estimation methods with respect to measures such as angular resolution and robustness to noise and modeling errors. PMID:23353603
K and L X-ray production cross sections and intensity ratios of rare-earth elements for proton impact in the energy range 20-25 MeV

NASA Astrophysics Data System (ADS)

Hajivaliei, M.; Puri, Sanjiv; Garg, M. L.; Mehta, D.; Kumar, A.; Chamoli, S. K.; Avasthi, D. K.; Mandal, A.; Nandi, T. K.; Singh, K. P.; Singh, Nirmal; Govil, I. M.

2000-02-01

The Kα1, Kα2, Kβ1, Kβ2, and the Lℓ, Lα, Lβ and Lγ X-ray production (XRP) cross sections and the relative intensity ratios for seven rare-earth elements with 60⩽Z⩽70 have been measured for 20, 22 and 25 MeV proton impact. The experimental data on the L-shell XRP cross sections for high energy proton impact have been reported for the first time. The measured XRP cross sections for all the K-lines and the relative intensity ratios Kα1/Kα, Kα2/Kα, Kβ1/Kα, Kβ2/Kα and Kβ/Kα are in good agreement with the theoretical ones calculated using ECPSSR ionisation cross sections for all the elements investigated at the three beam energies. The Lℓ, Lα, Lβ, and Lγ XRP cross sections measured at the three proton energies are found to be in general higher than the theoretical values calculated using the ECPSSR ionisation cross sections and the RDHS model-based Li sub-shell fluorescence and Coster-Kronig (CK) yields. The measured relative intensity ratios Lβ/Lα, and Lγ/Lα exhibit good agreement with the theoretical ones for all the elements under investigation, whereas the Lℓ/Lα ratios are found to deviate from the theoretical ones.
Stellar Yields of Rotating First Stars. II. Pair-instability Supernovae and Comparison with Observations

NASA Astrophysics Data System (ADS)

Takahashi, Koh; Yoshida, Takashi; Umeda, Hideyuki

2018-04-01

Recent theory predicts that first stars are born with a massive initial mass of ≳100 M ⊙. Pair-instability supernova (PISN) is a common fate for such massive stars. Our final goal is to prove the existence of PISNe and thus the high-mass nature of the initial mass function in the early universe by conducting abundance profiling, in which properties of a hypothetical first star is constrained by metal-poor star abundances. In order to determine reliable and useful abundances, we investigate the PISN nucleosynthesis taking both rotating and nonrotating progenitors for the first time. We show that the initial and CO core mass ranges for PISNe depend on the envelope structures: nonmagnetic rotating models developing inflated envelopes have a lower shifted CO mass range of ∼70–125 M ⊙, while nonrotating and magnetic rotating models with deflated envelopes have a range of ∼80–135 M ⊙. However, we find no significant difference in explosive yields from rotating and nonrotating progenitors, except for large nitrogen production in nonmagnetic rotating models. Furthermore, we conduct the first systematic comparison between theoretical yields and a large sample of metal-poor star abundances. We find that the predicted low [Na/Mg] ∼ ‑1.5 and high [Ca/Mg] ∼0.5–1.3 abundance ratios are the most important to discriminate PISN signatures from normal metal-poor star abundances, and confirm that no currently observed metal-poor star matches with the PISN abundance. An extensive discussion on the nondetection is presented.
The CPA Equation of State and an Activity Coefficient Model for Accurate Molar Enthalpy Calculations of Mixtures with Carbon Dioxide and Water/Brine

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

Myint, P. C.; Hao, Y.; Firoozabadi, A.

2015-03-27

Thermodynamic property calculations of mixtures containing carbon dioxide (CO 2) and water, including brines, are essential in theoretical models of many natural and industrial processes. The properties of greatest practical interest are density, solubility, and enthalpy. Many models for density and solubility calculations have been presented in the literature, but there exists only one study, by Spycher and Pruess, that has compared theoretical molar enthalpy predictions with experimental data [1]. In this report, we recommend two different models for enthalpy calculations: the CPA equation of state by Li and Firoozabadi [2], and the CO 2 activity coefficient model by Duanmore » and Sun [3]. We show that the CPA equation of state, which has been demonstrated to provide good agreement with density and solubility data, also accurately calculates molar enthalpies of pure CO 2, pure water, and both CO 2-rich and aqueous (H 2O-rich) mixtures of the two species. It is applicable to a wider range of conditions than the Spycher and Pruess model. In aqueous sodium chloride (NaCl) mixtures, we show that Duan and Sun’s model yields accurate results for the partial molar enthalpy of CO 2. It can be combined with another model for the brine enthalpy to calculate the molar enthalpy of H 2O-CO 2-NaCl mixtures. We conclude by explaining how the CPA equation of state may be modified to further improve agreement with experiments. This generalized CPA is the basis of our future work on this topic.« less
The Effects of Carbon Nanotubes on the Mechanical and Wear Properties of AZ31 Alloy

PubMed Central

Zhou, Mingyang; Qu, Xiaoni; Ren, Lingbao; Fan, Lingling; Zhang, Yuwenxi; Guo, Yangyang; Quan, Gaofeng; Liu, Bin; Sun, Hao

2017-01-01

Carbon nanotube (CNT)-reinforced AZ31 matrix nanocomposites were successfully fabricated using a powder metallurgy method followed by hot extrusion. The influence of CNTs on microstructures, mechanical properties, and wear properties were systematically investigated by optical microscope (OM), scanning electron microscope (SEM), X-ray diffraction (XRD), hardness test, tensile test, and wear test. The results revealed that the nanocomposites showed a slightly smaller grain size compared with the matrix and uniform distribution that CNTs could achieve at proper content. As a result, the addition of CNTs could weaken basal plane texture. However, the yield strength and ultimate tensile strength of the composites were enhanced as the amount of CNTs increased up to 2.0 wt. %, reaching maximum values of 241 MPa (+28.2%) and 297 MPa (+6.1%), respectively. The load transfer mechanism, Orowan mechanism, and thermal mismatch mechanism played important roles in the enhancement of the yield strength, and several classical models were employed to predict the theoretical values. The effect of CNT content on the friction coefficient and weight loss of the nanocomposites was also studied. The relationships between the amount of CNTs, the friction coefficient, and weight loss could be described by the exponential decay model and the Boltzmann model, respectively. PMID:29207543
Fractional Yields Inferred from Halo and Thick Disk Stars

NASA Astrophysics Data System (ADS)

Caimmi, R.

2013-12-01

Linear [Q/H]-[O/H] relations, Q = Na, Mg, Si, Ca, Ti, Cr, Fe, Ni, are inferred from a sample (N=67) of recently studied FGK-type dwarf stars in the solar neighbourhood including different populations (Nissen and Schuster 2010, Ramirez et al. 2012), namely LH (N=24, low-α halo), HH (N=25, high-α halo), KD (N=16, thick disk), and OL (N=2, globular cluster outliers). Regression line slope and intercept estimators and related variance estimators are determined. With regard to the straight line, [Q/H]=a_{Q}[O/H]+b_{Q}, sample stars are displayed along a "main sequence", [Q,O] = [a_{Q},b_{Q},Δ b_{Q}], leaving aside the two OL stars, which, in most cases (e.g. Na), lie outside. The unit slope, a_{Q}=1, implies Q is a primary element synthesised via SNII progenitors in the presence of a universal stellar initial mass function (defined as simple primary element). In this respect, Mg, Si, Ti, show hat a_{Q}=1 within ∓2hatσ_ {hat a_{Q}}; Cr, Fe, Ni, within ∓3hatσ_{hat a_{Q}}; Na, Ca, within ∓ rhatσ_{hat a_{Q}}, r>3. The empirical, differential element abundance distributions are inferred from LH, HH, KD, HA = HH + KD subsamples, where related regression lines represent their theoretical counterparts within the framework of simple MCBR (multistage closed box + reservoir) chemical evolution models. Hence, the fractional yields, hat{p}_{Q}/hat{p}_{O}, are determined and (as an example) a comparison is shown with their theoretical counterparts inferred from SNII progenitor nucleosynthesis under the assumption of a power-law stellar initial mass function. The generalized fractional yields, C_{Q}=Z_{Q}/Z_{O}^{a_{Q}}, are determined regardless of the chemical evolution model. The ratio of outflow to star formation rate is compared for different populations in the framework of simple MCBR models. The opposite situation of element abundance variation entirely due to cosmic scatter is also considered under reasonable assumptions. The related differential element abundance distribution fits to the data, as well as its counterpart inferred in the opposite limit of instantaneous mixing in the presence of chemical evolution, while the latter is preferred for HA subsample.
Family process and youth internalizing problems: A triadic model of etiology and intervention.

PubMed

Schleider, Jessica L; Weisz, John R

2017-02-01

Despite major advances in the development of interventions for youth anxiety and depression, approximately 30% of youths with anxiety do not respond to cognitive behavioral treatment, and youth depression treatments yield modest symptom decreases overall. Identifying networks of modifiable risk and maintenance factors that contribute to both youth anxiety and depression (i.e., internalizing problems) may enhance and broaden treatment benefits by informing the development of mechanism-targeted interventions. A particularly powerful network is the rich array of family processes linked to internalizing problems (e.g., parenting styles, parental mental health problems, and sibling relationships). Here, we propose a new theoretical model, the triadic model of family process, to organize theory and evidence around modifiable, transdiagnostic family factors that may contribute to youth internalizing problems. We describe the model's implications for intervention, and we propose strategies for testing the model in future research. The model provides a framework for studying associations among family processes, their relation to youth internalizing problems, and family-based strategies for strengthening prevention and treatment.
Evolution of supersonic corner vortex in a hypersonic inlet/isolator model

NASA Astrophysics Data System (ADS)

Huang, He-Xia; Tan, Hui-Jun; Sun, Shu; Ling, Yu

2016-12-01

There are complex corner vortex flows in a rectangular hypersonic inlet/isolator. The corner vortex propagates downstream and interacts with the shocks and expansion waves in the isolator repeatedly. The supersonic corner vortex in a generic hypersonic inlet/isolator model is theoretically and numerically analyzed at a freestream Mach number of 4.92. The cross-flow topology of the corner vortex flow is found to obey Zhang's theory ["Analytical analysis of subsonic and supersonic vortex formation," Acta Aerodyn. Sin. 13, 259-264 (1995)] strictly, except for the short process with the vortex core situated in a subsonic flow which is surrounded by a supersonic flow. In general, the evolution history of the corner vortex under the influence of the background waves in the hypersonic inlet/isolator model can be classified into two types, namely, from the adverse pressure gradient region to the favorable pressure gradient region and the reversed one. For type 1, the corner vortex is a one-celled vortex with the cross-sectional streamlines spiraling inwards at first. Then the Hopf bifurcation occurs and the streamlines in the outer part of the limit cycle switch to spiraling outwards, yielding a two-celled vortex. The limit cycle shrinks gradually and finally vanishes with the streamlines of the entire corner vortex spiraling outwards. For type 2, the cross-sectional streamlines of the corner vortex spiral outwards first. Then a stable limit cycle is formed, yielding a two-celled vortex. The short-lived limit cycle forces the streamlines in the corner vortex to change the spiraling trends rapidly. Although it is found in this paper that there are some defects on the theoretical proof of the limit cycle, Zhang's theory is proven useful for the prediction and qualitative analysis of the complex corner vortex in a hypersonic inlet/isolator. In addition, three conservation laws inside the limit cycle are obtained.
Rate equations for nitrogen molecules in ultrashort and intense x-ray pulses

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

Liu, Ji -Cai; Berrah, Nora; Cederbaum, Lorenz S.

Here, we study theoretically the quantum dynamics of nitrogen molecules (N2) exposed to intense and ultrafast x-rays at a wavelength ofmore » $$1.1\\;{\\rm{nm}}$$ ($$1100\\;{\\rm{eV}}$$ photon energy) from the Linac Coherent Light Source (LCLS) free electron laser. Molecular rate equations are derived to describe the intertwined photoionization, decay, and dissociation processes occurring for N2. This model complements our earlier phenomenological approaches, the single-atom, symmetric-sharing, and fragmentation-matrix models of 2012 (J. Chem. Phys. 136 214310). Our rate-equations are used to obtain the effective pulse energy at the sample and the time scale for the dissociation of the metastable dication $${{\\rm{N}}}_{2}^{2+}$$. This leads to a very good agreement between the theoretically and experimentally determined ion yields and, consequently, the average charge states. The effective pulse energy is found to decrease with shortening pulse duration. This variation together with a change in the molecular fragmentation pattern and frustrated absorption—an effect that reduces absorption of x-rays due to (double) core hole formation—are the causes for the drop of the average charge state with shortening LCLS pulse duration discovered previously.« less

Radiation from lightning return strokes over a finitely conducting earth

NASA Technical Reports Server (NTRS)

Le Vine, D. M.; Gesell, L.; Kao, Michael

1986-01-01

The effects of the conductivity of the earth on radiation from lightning return strokes are examined theoretically using a piecewise linear transmission line model for the return stroke. First, calculations are made of the electric field radiated during the return stroke, and then this electric field is used to compute the response of conventional AM radio receivers and electric field change systems during the return stroke. The calculations apply to the entire transient waveform (they are not restricted to the initial portions of the return stroke) and yield fast field changes and RF radiation in agreement with measurements made during real lightning. This research was motivated by measurements indicating that a time delay exists between the time of arrival of the fast electric field change and the RF radiation from first return strokes. The time delay is on the order of 20 microsec for frequencies in the HF-UHF range for lightning in Florida. The time delay is obtained theoretically in this paper. It occurs when both the effects of attenuation due to conductivity of the earth, and the finite velocity of propagation of the current pulse up the return stroke channel, are taken into account in the model.
Rate equations for nitrogen molecules in ultrashort and intense x-ray pulses

DOE PAGES

Liu, Ji -Cai; Berrah, Nora; Cederbaum, Lorenz S.; ...

2016-03-16

Here, we study theoretically the quantum dynamics of nitrogen molecules (N2) exposed to intense and ultrafast x-rays at a wavelength ofmore » $$1.1\\;{\\rm{nm}}$$ ($$1100\\;{\\rm{eV}}$$ photon energy) from the Linac Coherent Light Source (LCLS) free electron laser. Molecular rate equations are derived to describe the intertwined photoionization, decay, and dissociation processes occurring for N2. This model complements our earlier phenomenological approaches, the single-atom, symmetric-sharing, and fragmentation-matrix models of 2012 (J. Chem. Phys. 136 214310). Our rate-equations are used to obtain the effective pulse energy at the sample and the time scale for the dissociation of the metastable dication $${{\\rm{N}}}_{2}^{2+}$$. This leads to a very good agreement between the theoretically and experimentally determined ion yields and, consequently, the average charge states. The effective pulse energy is found to decrease with shortening pulse duration. This variation together with a change in the molecular fragmentation pattern and frustrated absorption—an effect that reduces absorption of x-rays due to (double) core hole formation—are the causes for the drop of the average charge state with shortening LCLS pulse duration discovered previously.« less
A theoretical model for the production of Ac-225 for cancer therapy by photon-induced transmutation of Ra-226.

PubMed

Melville, G; Fan Liu, Sau; Allen, B J

2006-09-01

Radium needles that were once implanted into tumours as a cancer treatment are now obsolete and constitute a radioactive waste problem, as their half-life is 1600 years. We are investigating the reduction of radium by transmutation on a small scale by bombarding Ra-226 with high-energy photons from a medical linear accelerator (linac) to produce Ra-225, which subsequently decays to Ac-225, which can be used as a generator to produce Bi-213 for use in 'targeted alpha therapy' for cancer. This paper examines the possibility of producing Ac-225 with a linac using an accurate theoretical model in which the bremsstrahlung photon spectrum at 18 MV linac electron energy is convoluted with the corresponding photonuclear cross sections of Ra-226. The total integrated yield can then be obtained and is compared with a computer simulation. This study shows that at 18 MV, the photonuclear reaction on Ra-226 can produce low activities of Ac-225 with a linac. However, a high power linac with high current, pulse length and frequency is needed to produce practical amounts of Ac-225 and a useful reduction of Ra-226.
Comparison of electromagnetic and nuclear dissociation of 17Ne

NASA Astrophysics Data System (ADS)

Wamers, F.; Marganiec, J.; Aksouh, F.; Aksyutina, Yu.; Alvarez-Pol, H.; Aumann, T.; Beceiro-Novo, S.; Bertulani, C. A.; Boretzky, K.; Borge, M. J. G.; Chartier, M.; Chatillon, A.; Chulkov, L. V.; Cortina-Gil, D.; Emling, H.; Ershova, O.; Fraile, L. M.; Fynbo, H. O. U.; Galaviz, D.; Geissel, H.; Heil, M.; Hoffmann, D. H. H.; Hoffman, J.; Johansson, H. T.; Jonson, B.; Karagiannis, C.; Kiselev, O. A.; Kratz, J. V.; Kulessa, R.; Kurz, N.; Langer, C.; Lantz, M.; Le Bleis, T.; Lehr, C.; Lemmon, R.; Litvinov, Yu. A.; Mahata, K.; Müntz, C.; Nilsson, T.; Nociforo, C.; Ott, W.; Panin, V.; Paschalis, S.; Perea, A.; Plag, R.; Reifarth, R.; Richter, A.; Riisager, K.; Rodriguez-Tajes, C.; Rossi, D.; Savran, D.; Schrieder, G.; Simon, H.; Stroth, J.; Sümmerer, K.; Tengblad, O.; Typel, S.; Weick, H.; Wiescher, M.; Wimmer, C.

2018-03-01

The Borromean drip-line nucleus 17Ne has been suggested to possess a two-proton halo structure in its ground state. In the astrophysical r p -process, where the two-proton capture reaction 15O(2 p ,γ )17Ne plays an important role, the calculated reaction rate differs by several orders of magnitude between different theoretical approaches. To add to the understanding of the 17Ne structure we have studied nuclear and electromagnetic dissociation. A 500 MeV/u 17Ne beam was directed toward lead, carbon, and polyethylene targets. Oxygen isotopes in the final state were measured in coincidence with one or two protons. Different reaction branches in the dissociation of 17Ne were disentangled. The relative populations of s and d states in 16F were determined for light and heavy targets. The differential cross section for electromagnetic dissociation (EMD) shows a continuous internal energy spectrum in the three-body system 15O+2 p . The 17Ne EMD data were compared to current theoretical models. None of them, however, yields satisfactory agreement with the experimental data presented here. These new data may facilitate future development of adequate models for description of the fragmentation process.
Experimental and theoretical study of iron and mild steel combustion in oxygen flows

NASA Astrophysics Data System (ADS)

El-Rabii, Hazem; Kazakov, Kirill A.; Muller, Maryse

2017-03-01

The effects of oxygen flow speed and pressure on the iron and mild steel combustion are investigated experimentally and theoretically. The studied specimens are vertical cylindrical rods subjected to an axial oxygen flow and ignited at the upper end by laser irradiation. Three main stages of the combustion process have been identified experimentally: (1) induction period, during which the rod is heated until an intensive metal oxidation begins at its upper end; (2) static combustion, during which a laminar liquid "cap'' slowly grows on the upper rod end, and, after the liquid cap detachment from the sample; (3) dynamic combustion, which is characterized by a rapid metal consumption and turbulent liquid motions. An analytical description of these stages is given. In particular, a model of the dynamic combustion is constructed based on the turbulent oxygen transport through the liquid metal-oxide flow. This model yields a simple expression for the fraction of metal burned in the process and allows one to calculate the normal propagation speed of the solid metal-liquid interface as a function of the oxygen flow speed and pressure. A comparison of the theory with the experimental results is made, and its potential application is mentioned.
A game theoretic framework for incentive-based models of intrinsic motivation in artificial systems

PubMed Central

Merrick, Kathryn E.; Shafi, Kamran

2013-01-01

An emerging body of research is focusing on understanding and building artificial systems that can achieve open-ended development influenced by intrinsic motivations. In particular, research in robotics and machine learning is yielding systems and algorithms with increasing capacity for self-directed learning and autonomy. Traditional software architectures and algorithms are being augmented with intrinsic motivations to drive cumulative acquisition of knowledge and skills. Intrinsic motivations have recently been considered in reinforcement learning, active learning and supervised learning settings among others. This paper considers game theory as a novel setting for intrinsic motivation. A game theoretic framework for intrinsic motivation is formulated by introducing the concept of optimally motivating incentive as a lens through which players perceive a game. Transformations of four well-known mixed-motive games are presented to demonstrate the perceived games when players' optimally motivating incentive falls in three cases corresponding to strong power, affiliation and achievement motivation. We use agent-based simulations to demonstrate that players with different optimally motivating incentive act differently as a result of their altered perception of the game. We discuss the implications of these results both for modeling human behavior and for designing artificial agents or robots. PMID:24198797
A game theoretic framework for incentive-based models of intrinsic motivation in artificial systems.

PubMed

Merrick, Kathryn E; Shafi, Kamran

2013-01-01

An emerging body of research is focusing on understanding and building artificial systems that can achieve open-ended development influenced by intrinsic motivations. In particular, research in robotics and machine learning is yielding systems and algorithms with increasing capacity for self-directed learning and autonomy. Traditional software architectures and algorithms are being augmented with intrinsic motivations to drive cumulative acquisition of knowledge and skills. Intrinsic motivations have recently been considered in reinforcement learning, active learning and supervised learning settings among others. This paper considers game theory as a novel setting for intrinsic motivation. A game theoretic framework for intrinsic motivation is formulated by introducing the concept of optimally motivating incentive as a lens through which players perceive a game. Transformations of four well-known mixed-motive games are presented to demonstrate the perceived games when players' optimally motivating incentive falls in three cases corresponding to strong power, affiliation and achievement motivation. We use agent-based simulations to demonstrate that players with different optimally motivating incentive act differently as a result of their altered perception of the game. We discuss the implications of these results both for modeling human behavior and for designing artificial agents or robots.
The Thermodynamics of Drunk Driving

NASA Astrophysics Data System (ADS)

Thompson, Robert Q.

1997-05-01

Chemical and instrumental tests for driving under the influence of alcohol (DUI) measure the concentration of ethanol in the breath (BrAC), while state DUI laws are described in terms of blood alcohol concentration (BAC). Consequently, accurate and fair conversion from BrAC to BAC is crucial to the judicial process. Theoretical treatment of the water-air-ethanol equilibrium system and the related blood-breath-ethanol system, based on principles from general chemistry and biology, yields an equation relating the ratio of BAC to BrAC to the absolute temperature of the breath, the fraction of water in the blood, and the enthalpy and entropy of vaporization of ethanol from aqueous solution. The model equation predicts an average value for the ratio of 2350+100, not significantly different from reported experimental values. An exponential temperature dependence is predicted and has been confirmed experimentally as well. Biological, chemical, and instrumental variables are described along with their contributions to the overall uncertainty in the value of BrAC/BAC. While the forensic science community uses, and debates, a fixed ratio of 2100, the theoretical model suggests that a value of 1880 should be used to reduce the fraction of false positives to <1%.
Bioethanol Potential of Energy Sorghum Grown on Marginal and Arable Lands

PubMed Central

Tang, Chaochen; Li, Songbo; Li, Meng; Xie, Guang H.

2018-01-01

Field experiments were conducted in marginal lands, i.e., sub-humid climate and saline-land (SHS) and semi-arid climate and wasteland (SAW), to evaluate ethanol potential based on the biomass yield and chemical composition of biomass type (var. GN-2, GN-4, and GN-10) and sweet type (var. GT-3 and GT-7) hybrids of energy sorghum [Sorghum bicolor (L.) Moench] in comparison with sub-humid climate and cropland (SHC) in northern China. Results showed that environment significantly (p < 0.05) influenced plant growth, biomass yield and components, and subsequently the ethanol potential of energy sorghum. Biomass and theoretical ethanol yield of the crop grown at SHS (12.2 t ha−1 and 3,425 L ha−1, respectively) and SAW (8.6 t ha−1 and 2,091 L ha−1, respectively) were both statistically (p < 0.001) lower than values at the SHC site (32.6 t ha−1 and 11,853 L ha−1, respectively). Higher desirable contents of soluble sugar, cellulose, and hemicellulose were observed at SHS and SHC sites, while sorghum grown at SAW possessed higher lignin and ash contents. Biomass type sorghum was superior to sweet type as non-food ethanol feedstock. In particular, biomass type hybrid GN-10 achieved the highest biomass (17.4 t ha−1) and theoretical ethanol yields (5,423 L ha−1) after averaging data for all environmental sites. The most productive hybrid, biomass type GN-4, exhibited biomass and theoretical ethanol yields >42.1 t ha−1 and 14,913 L ha−1, respectively, at the cropland SHC site. In conclusion, energy sorghum grown on marginal lands showed a very lower ethanol potential, indicating a considerable lower possibility for being used as commercial feedstock supply when compared with that grown on regular croplands. Moreover, screening suitable varieties may improve energy sorghum growth and chemical properties for ethanol production on marginal lands. PMID:29686688
Effects of fixture rotation on coating uniformity for high-performance optical filter fabrication

NASA Astrophysics Data System (ADS)

Rubin, Binyamin; George, Jason; Singhal, Riju

2018-04-01

Coating uniformity is critical in fabricating high-performance optical filters by various vacuum deposition methods. Simple and planetary rotation systems with shadow masks are used to achieve the required uniformity [J. B. Oliver and D. Talbot, Appl. Optics 45, 13, 3097 (2006); O. Lyngnes, K. Kraus, A. Ode and T. Erguder, in `Method for Designing Coating Thickness Uniformity Shadow Masks for Deposition Systems with a Planetary Fixture', 2014 Technical Conference Proceedings, Optical Coatings, August 13, 2014, DOI: 10.14332/svc14.proc.1817.]. In this work, we discuss the effect of rotation pattern and speed on thickness uniformity in an ion beam sputter deposition system. Numerical modeling is used to determine statistical distribution of random thickness errors in coating layers. The relationship between thickness tolerance and production yield are simulated theoretically and demonstrated experimentally. Production yields for different optical filters produced in an ion beam deposition system with planetary rotation are presented. Single-wavelength and broadband optical monitoring systems were used for endpoint monitoring during filter deposition. Limitations of thickness tolerances that can be achieved in systems with planetary rotation are shown. Paths for improving production yield in an ion beam deposition system are described.
21 CFR 211.188 - Batch production and control records.

Code of Federal Regulations, 2010 CFR

2010-04-01

... (CONTINUED) DRUGS: GENERAL CURRENT GOOD MANUFACTURING PRACTICE FOR FINISHED PHARMACEUTICALS Records and... percentage of theoretical yield at appropriate phases of processing; (8) Complete labeling control records...
21 CFR 211.188 - Batch production and control records.

Code of Federal Regulations, 2011 CFR

2011-04-01

... (CONTINUED) DRUGS: GENERAL CURRENT GOOD MANUFACTURING PRACTICE FOR FINISHED PHARMACEUTICALS Records and... percentage of theoretical yield at appropriate phases of processing; (8) Complete labeling control records...
Ethanol production from SPORL-pretreated lodgepole pine : preliminary evaluation of mass balance and process energy efficiency

Treesearch

Junyong Zhu; Wenyuan Zhu; Patricia OBryan; Bruce S. Dien; Shen Tian; Roland Gleisner; X.J. Pan

2010-01-01

Lodgepole pine from forest thinnings is a potential feedstock for ethanol production. In this study, lodgepole pine was converted to ethanol with a yield of 276 L per metric ton of wood or 72% of theoretical yield. The lodgepole pine chips were directly subjected to sulfite pretreatment to overcome recalcitrance of lignocellulose (SPORL) pretreatment and then disk-...
Theoretical description of spin-selective reactions of radical pairs diffusing in spherical 2D and 3D microreactors

NASA Astrophysics Data System (ADS)

Ivanov, Konstantin L.; Sadovsky, Vladimir M.; Lukzen, Nikita N.

2015-08-01

In this work, we treat spin-selective recombination of a geminate radical pair (RP) in a spherical "microreactor," i.e., of a RP confined in a micelle, vesicle, or liposome. We consider the microreactor model proposed earlier, in which one of the radicals is located at the center of the micelle and the other one undergoes three-dimensional diffusion inside the micelle. In addition, we suggest a two-dimensional model, in which one of the radicals is located at the "pole" of the sphere, while the other one diffuses on the spherical surface. For this model, we have obtained a general analytical expression for the RP recombination yield in terms of the free Green function of two-dimensional diffusion motion. In turn, this Green function is expressed via the Legendre functions and thus takes account of diffusion over a restricted spherical surface and its curvature. The obtained expression allows one to calculate the RP recombination efficiency at an arbitrary magnetic field strength. We performed a comparison of the two models taking the same geometric parameters (i.e., the microreactor radius and the closest approach distance of the radicals), chemical reactivity, magnetic interactions in the RP and diffusion coefficient. Significant difference between the predictions of the two models is found, which is thus originating solely from the dimensionality effect: for different dimensionality of space, the statistics of diffusional contacts of radicals becomes different altering the reaction yield. We have calculated the magnetic field dependence of the RP reaction yield and chemically induced dynamic nuclear polarization of the reaction products at different sizes of the microreactor, exchange interaction, and spin relaxation rates. Interestingly, due to the intricate interplay of diffusional contacts of reactants and spin dynamics, the dependence of the reaction yield on the microreactor radius is non-monotonous. Our results are of importance for (i) interpreting experimental data for magnetic field effects on RP recombination in confined space and (ii) for describing kinetics of chemical reactions, which occur predominantly on the surfaces of biomembranes, i.e., lipid peroxidation reactions.
Theoretical description of spin-selective reactions of radical pairs diffusing in spherical 2D and 3D microreactors

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

Ivanov, Konstantin L., E-mail: ivanov@tomo.nsc.ru; Lukzen, Nikita N.; Novosibirsk State University, Pirogova St. 2, Novosibirsk 630090

2015-08-28

In this work, we treat spin-selective recombination of a geminate radical pair (RP) in a spherical “microreactor,” i.e., of a RP confined in a micelle, vesicle, or liposome. We consider the microreactor model proposed earlier, in which one of the radicals is located at the center of the micelle and the other one undergoes three-dimensional diffusion inside the micelle. In addition, we suggest a two-dimensional model, in which one of the radicals is located at the “pole” of the sphere, while the other one diffuses on the spherical surface. For this model, we have obtained a general analytical expression formore » the RP recombination yield in terms of the free Green function of two-dimensional diffusion motion. In turn, this Green function is expressed via the Legendre functions and thus takes account of diffusion over a restricted spherical surface and its curvature. The obtained expression allows one to calculate the RP recombination efficiency at an arbitrary magnetic field strength. We performed a comparison of the two models taking the same geometric parameters (i.e., the microreactor radius and the closest approach distance of the radicals), chemical reactivity, magnetic interactions in the RP and diffusion coefficient. Significant difference between the predictions of the two models is found, which is thus originating solely from the dimensionality effect: for different dimensionality of space, the statistics of diffusional contacts of radicals becomes different altering the reaction yield. We have calculated the magnetic field dependence of the RP reaction yield and chemically induced dynamic nuclear polarization of the reaction products at different sizes of the microreactor, exchange interaction, and spin relaxation rates. Interestingly, due to the intricate interplay of diffusional contacts of reactants and spin dynamics, the dependence of the reaction yield on the microreactor radius is non-monotonous. Our results are of importance for (i) interpreting experimental data for magnetic field effects on RP recombination in confined space and (ii) for describing kinetics of chemical reactions, which occur predominantly on the surfaces of biomembranes, i.e., lipid peroxidation reactions.« less
Bridgman crystal growth

NASA Technical Reports Server (NTRS)

Carlson, Frederick

1990-01-01

The objective of this theoretical research effort was to improve the understanding of the growth of Pb(x)Sn(1-x)Te and especially how crystal quality could be improved utilizing the microgravity environment of space. All theoretical growths are done using the vertical Bridgman method. It is believed that improved single crystal yields can be achieved by systematically identifying and studying system parameters both theoretically and experimentally. A computational model was developed to study and eventually optimize the growth process. The model is primarily concerned with the prediction of the thermal field, although mass transfer in the melt and the state of stress in the crystal were of considerable interest. The evolution is presented of the computer simulation and some of the important results obtained. Diffusion controlled growth was first studied since it represented a relatively simple, but nontheless realistic situation. In fact, results from this analysis prompted a study of the triple junction region where the melt, crystal, and ampoule wall meet. Since microgravity applications were sought because of the low level of fluid movement, the effect of gravitational field strength on the thermal and concentration field was also of interest. A study of the strength of coriolis acceleration on the growth process during space flight was deemed necessary since it would surely produce asymmetries in the flow field if strong enough. Finally, thermosolutal convection in a steady microgravity field for thermally stable conditions and both stable and unstable solutal conditions was simulated.
Future Warming Increases Global Maize Yield Variability with Implications for Food Markets

NASA Astrophysics Data System (ADS)

Tigchelaar, M.; Battisti, D. S.; Naylor, R. L.; Ray, D. K.

2017-12-01

If current trends in population growth and dietary shifts continue, the world will need to produce about 70% more food by 2050, while earth's climate is rapidly changing. Rising temperatures in particular are projected to negatively impact agricultural production, as the world's staple crops perform poorly in extreme heat. Theoretical models suggest that as temperatures rise above plants' optimal temperature for performance, not only will mean yields decline rapidly, but the variability of yields will increase, even as interannual variations in climate remain unchanged. Here we use global datasets of maize production and climate variability combined with CMIP5 temperature projections to quantify how yield variability will change in major maize producing countries under 2°C and 4°C of global warming. Maize is the world's most produced crop, and is linked to other staple crops through substitution in consumption and production. We find that in warmer climates - absent any breeding gains in heat tolerance - the Coefficient of Variation (CV) of maize yields increases almost everywhere, to values much larger than present-day. This increase in CV is due both to an increase in the standard deviation of yields, and a decrease in mean yields. In locations where crop failures become the norm under high (4°C) warming (mostly in tropical, low-yield environments), the standard deviation of yields ultimately decreases. The probability that in any given year the most productive areas in the top three maize producing countries (United States, China, Brazil) have simultaneous production losses greater than 10% is virtually zero under present-day climate conditions, but increases to 12% under 2°C warming, and 89% under 4°C warming. This has major implications for global food markets and staple crop prices, affecting especially the 2.5 billion people that comprise the world's poor, who already spend the majority of their disposable income on food and are particularly vulnerable to agricultural price spikes.
How to precisely measure the volume velocity transfer function of physical vocal tract models by external excitation

PubMed Central

Mainka, Alexander; Kürbis, Steffen; Birkholz, Peter

2018-01-01

Recently, 3D printing has been increasingly used to create physical models of the vocal tract with geometries obtained from magnetic resonance imaging. These printed models allow measuring the vocal tract transfer function, which is not reliably possible in vivo for the vocal tract of living humans. The transfer functions enable the detailed examination of the acoustic effects of specific articulatory strategies in speaking and singing, and the validation of acoustic plane-wave models for realistic vocal tract geometries in articulatory speech synthesis. To measure the acoustic transfer function of 3D-printed models, two techniques have been described: (1) excitation of the models with a broadband sound source at the glottis and measurement of the sound pressure radiated from the lips, and (2) excitation of the models with an external source in front of the lips and measurement of the sound pressure inside the models at the glottal end. The former method is more frequently used and more intuitive due to its similarity to speech production. However, the latter method avoids the intricate problem of constructing a suitable broadband glottal source and is therefore more effective. It has been shown to yield a transfer function similar, but not exactly equal to the volume velocity transfer function between the glottis and the lips, which is usually used to characterize vocal tract acoustics. Here, we revisit this method and show both, theoretically and experimentally, how it can be extended to yield the precise volume velocity transfer function of the vocal tract. PMID:29543829
Matematical modeling of galophytic plants productivity taking into account the temperature factor and soil salinity level

NASA Astrophysics Data System (ADS)

Natalia, Slyusar; Pisman, Tamara; Pechurkin, Nikolai S.

Among the most challenging tasks faced by contemporary ecology is modeling of biological production process in different plant communities. The difficulty of the task is determined by the complexity of the study material. Models showing the influence of climate and climate change on plant growth, which would also involve soil site parameters, could be of both practical and theoretical interest. In this work a mathematical model has been constructed to describe the growth dynamics of different plant communities of halophytic meadows as dependent upon the temperature factor and soil salinity level, which could be further used to predict yields of these plant communities. The study was performed on plants of halophytic meadows in the coastal area of Lake of the Republic of Khakasia in 2004 - 2006. Every plant community grew on the soil of a different level of salinity - the amount of the solid residue of the saline soil aqueous extract. The mathematical model was analyzed using field data of 2004 and 2006, the years of contrasting air temperatures. Results of model investigations show that there is a correlation between plant growth and the temperature of the air for plant communities growing on soils containing the lowest (0.1Thus, results of our study, in which we used a mathematical model describing the development of plant communities of halophytic meadows and field measurements, suggest that both climate conditions (temperature) and ecological factors of the plants' habitat (soil salinity level) should be taken into account when constructing models for predicting crop yields.
Ionoluminescence properties of polystyrene-hosted fluorophore films induced by helium ions of energy 50-350 keV

NASA Astrophysics Data System (ADS)

Chakraborty, Subha; Huang, Mengbing

2017-10-01

We report on measurements and analysis of ionoluminescence properties of pure polystyrene films and polystyrene films doped with four types of fluorophores in low kinetic energies (50-350 keV) of ion irradiation. We have developed a theoretical model to understand the experimentally observed ionoluminescence behaviors in terms of scintillation yield from individual ion tracks, photophysical energy transfer mechanisms, and irradiation-induced defects. A comparison of the model and experimental results suggests that singlet up-conversion resulting from triplet-triplet annihilation processes may be responsible for enhanced singlet emission of the fluorophores at high ion beam flux densities. Energy transfer from the polystyrene matrix to the fluorophore molecules has been identified as an effective pathway to increasing the fluorescence efficiency in the doped scintillator films.

At the intersection of micro and macro: opportunities and challenges for physician-patient communication research.

PubMed

Cline, Rebecca J Welch

2003-05-01

The health care relationship model is undergoing dramatic change. Micro-level communication patterns yield health care relationship models (e.g. paternalism, mutual participation, consumerism). At the same time, macro-level systems appear increasingly likely to influence the nature of micro-level interaction. The intersections of health care communication micro-level and macro-level phenomena provide important venues for research and interventions. This essay identifies theoretical premises regarding the relationships between communication and health-related behavior; explores three prominent and growing macro-level phenomena that observers argue likely influence the physical-patient relationship and communication therein: complementary and alternative medicine, the Internet, and direct-to-consumer advertising of prescription drugs; and offers a research agenda for exploring macro-level influences on micro-level physician-patient communication.
Child-mother and child-father attachment security: links to internalizing adjustment among children with learning disabilities.

PubMed

Al-Yagon, Michal

2014-02-01

The study examined the unique role of children's attachment with the father and with the mother, in explaining differences in internalizing features (i.e., loneliness, sense of coherence, hope and effort, and internalizing behavior syndrome) among 107 children with learning disabilities (LD) versus 98 children with typical development ages 8-12. Preliminary analyses yielded significant group differences on most measures. SEM analysis indicated high fit between the theoretical model and empirical findings, and different patterns of relations among the model's components for the two populations. As hypothesized, child-father and child-mother attachment contributed differently to children's internalizing features for the two subgroups. Discussion focused on understanding unique and complementary roles of attachment relations with fathers versus mothers among children with and without LD.
Bypass transition and spot nucleation in boundary layers

NASA Astrophysics Data System (ADS)

Kreilos, Tobias; Khapko, Taras; Schlatter, Philipp; Duguet, Yohann; Henningson, Dan S.; Eckhardt, Bruno

2016-08-01

The spatiotemporal aspects of the transition to turbulence are considered in the case of a boundary-layer flow developing above a flat plate exposed to free-stream turbulence. Combining results on the receptivity to free-stream turbulence with the nonlinear concept of a transition threshold, a physically motivated model suggests a spatial distribution of spot nucleation events. To describe the evolution of turbulent spots a probabilistic cellular automaton is introduced, with all parameters directly obtained from numerical simulations of the boundary layer. The nucleation rates are then combined with the cellular automaton model, yielding excellent quantitative agreement with the statistical characteristics for different free-stream turbulence levels. We thus show how the recent theoretical progress on transitional wall-bounded flows can be extended to the much wider class of spatially developing boundary-layer flows.
Computer Modeling of the Instructionally Insensitive Nature of the Texas Assessment of Knowledge and Skills (TAKS) Exam

NASA Astrophysics Data System (ADS)

Pham, Vinh Huy

Stakeholders of the educational system assume that standardized tests are transparently about the subject content being tested and therefore can be used as a metric to measure achievement in outcome-based educational reform. Both analysis of longitudinal data for the Texas Assessment of Knowledge and Skills (TAKS) exam and agent based computer modeling of its underlying theoretical testing framework have yielded results that indicate the exam only rank orders students on a persistent but uncharacterized latent trait across domains tested as well as across years. Such persistent rank ordering of students is indicative of an instructionally insensitive exam. This is problematic in the current atmosphere of high stakes testing which holds teachers, administrators, and school systems accountable for student achievement.
An investigation of rotor noise generation by aerodynamic disturbance. [aeroacoustic transfer functions

NASA Technical Reports Server (NTRS)

Whitfield, C. E.

1977-01-01

An open rotor was considered as a process for converting an unsteady velocity inflow into sound radiation. With the aid of crude assumptions, aero-acoustic transfer functions were defined theoretically for both discrete frequency and broad band noise. A study of the validity of these transfer functions yielded results which show good agreement at discrete frequencies though slightly less good for broad band noise. Agreement in both cases holds over three or more decades of the relevant parameters. A rotating hot wire anemometry system consisting of a single hot wire probe mounted in the nose cone of the rotor was used to quantify fluctuations in the airflow onto a single rotor blade for the transfer function results. Further theoretical analysis revealed that the sound field can be expressed in terms of blade-to-blade correlations in the airflow, and results from two probes rotating simultaneously were modelled mathematically and inserted in the theory. Preliminary results snow encouraging agreement with experimental data.
Slab photonic crystals with dimer colloid bases

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

Riley, Erin K.; Liddell Watson, Chekesha M., E-mail: cliddell@ccmr.cornell.edu

2014-06-14

The photonic band gap properties for centered rectangular monolayers of asymmetric dimers are reported. Colloids in suspension have been organized into the phase under confinement. The theoretical model is inspired by the range of asymmetric dimers synthesized via seeded emulsion polymerization and explores, in particular, the band structures as a function of degree of lobe symmetry and degree of lobe fusion. These parameters are varied incrementally from spheres to lobe-tangent dimers over morphologies yielding physically realizable particles. The work addresses the relative scarcity of theoretical studies on photonic crystal slabs with vertical variation that is consistent with colloidal self-assembly. Odd,more » even and polarization independent gaps in the guided modes are determined for direct slab structures. A wide range of lobe symmetry and degree of lobe fusion combinations having Brillouin zones with moderate to high isotropy support gaps between odd mode band indices 3-4 and even mode band indices 1-2 and 2-3.« less
Solar energy conversion with photon-enhanced thermionic emission

NASA Astrophysics Data System (ADS)

Kribus, Abraham; Segev, Gideon

2016-07-01

Photon-enhanced thermionic emission (PETE) converts sunlight to electricity with the combined photonic and thermal excitation of charge carriers in a semiconductor, leading to electron emission over a vacuum gap. Theoretical analyses predict conversion efficiency that can match, or even exceed, the efficiency of traditional solar thermal and photovoltaic converters. Several materials have been examined as candidates for radiation absorbers and electron emitters, with no conclusion yet on the best set of materials to achieve high efficiency. Analyses have shown the complexity of the energy conversion and transport processes, and the significance of several loss mechanisms, requiring careful control of material properties and optimization of the device structure. Here we survey current research on PETE modeling, materials, and device configurations, outline the advances made, and stress the open issues and future research needed. Based on the substantial progress already made in this young topic, and the potential of high conversion efficiency based on theoretical performance limits, continued research in this direction is very promising and may yield a competitive technology for solar electricity generation.
Quantifying Reinforcement Value and Demand for Psychoactive Substances in Humans

PubMed Central

Heinz, Adrienne J.; Lilje, Todd C.; Kassel, Jon D.; de Wit, Harriet

2013-01-01

Behavioral economics is an emerging cross-disciplinary field that is providing an exciting new contextual framework for researchers to study addictive processes. New initiatives to study addiction under a behavioral economic rubric have yielded variable terminology and differing methods and theoretical approaches that are consistent with the multidimensional nature of addiction. The present article is intended to provide an integrative overview of the behavioral economic nomenclature and to describe relevant theoretical models, principles and concepts. Additionally, we present measures derived from behavioral economic theories that quantify demand for substances and assess decision making processes surrounding substance use. The sensitivity of these measures to different contextual elements (e.g., drug use status, acute drug effects, deprivation) is also addressed. The review concludes with discussion of the validity of these approaches and their potential for clinical application and highlights areas that warrant further research. Overall, behavioral economics offers a compelling framework to help explicate complex addictive processes and it is likely to provide a translational platform for clinical intervention. PMID:23062106
Theoretical Characterizaiton of Visual Signatures (Muzzle Flash)

NASA Astrophysics Data System (ADS)

Kashinski, D. O.; Scales, A. N.; Vanderley, D. L.; Chase, G. M.; di Nallo, O. E.; Byrd, E. F. C.

2014-05-01

We are investigating the accuracy of theoretical models used to predict the visible, ultraviolet and infrared spectra of product materials ejected from the muzzle of currently fielded systems. Recent advances in solid propellants has made the management of muzzle signature (flash) a principle issue in weapons development across the calibers. A priori prediction of the electromagnetic spectra of formulations will allow researchers to tailor blends that yield desired signatures and determine spectrographic detection ranges. We are currently employing quantum chemistry methods at various levels of sophistication to optimize molecular geometries, compute vibrational frequencies, and determine the optical spectra of specific gas-phase molecules and radicals of interest. Electronic excitations are being computed using Time Dependent Density Functional Theory (TD-DFT). A comparison of computational results to experimental values found in the literature is used to assess the affect of basis set and functional choice on calculation accuracy. The current status of this work will be presented at the conference. Work supported by the ARL, and USMA.
Theoretical Characterization of Visual Signatures and Calculation of Approximate Global Harmonic Frequency Scaling Factors

NASA Astrophysics Data System (ADS)

Kashinski, D. O.; Nelson, R. G.; Chase, G. M.; di Nallo, O. E.; Byrd, E. F. C.

2016-05-01

We are investigating the accuracy of theoretical models used to predict the visible, ultraviolet, and infrared spectra, as well as other properties, of product materials ejected from the muzzle of currently fielded systems. Recent advances in solid propellants has made the management of muzzle signature (flash) a principle issue in weapons development across the calibers. A priori prediction of the electromagnetic spectra of formulations will allow researchers to tailor blends that yield desired signatures and determine spectrographic detection ranges. Quantum chemistry methods at various levels of sophistication have been employed to optimize molecular geometries, compute unscaled harmonic frequencies, and determine the optical spectra of specific gas-phase species. Electronic excitations are being computed using Time Dependent Density Functional Theory (TD-DFT). Calculation of approximate global harmonic frequency scaling factors for specific DFT functionals is also in progress. A full statistical analysis and reliability assessment of computational results is currently underway. Work supported by the ARL, DoD-HPCMP, and USMA.
Communication: Nanoscale electrostatic theory of epistructural fields at the protein-water interface

NASA Astrophysics Data System (ADS)

Fernández, Ariel

2012-12-01

Nanoscale solvent confinement at the protein-water interface promotes dipole orientations that are not aligned with the internal electrostatic field of a protein, yielding what we term epistructural polarization. To quantify this effect, an equation is derived from first principles relating epistructural polarization with the magnitude of local distortions in water coordination causative of interfacial tension. The equation defines a nanoscale electrostatic model of water and enables an estimation of protein denaturation free energies and the inference of hot spots for protein associations. The theoretical results are validated vis-à-vis calorimetric data, revealing the destabilizing effect of epistructural polarization and its molecular origin.
Communication: Nanoscale electrostatic theory of epistructural fields at the protein-water interface.

PubMed

Fernández, Ariel

2012-12-21

Nanoscale solvent confinement at the protein-water interface promotes dipole orientations that are not aligned with the internal electrostatic field of a protein, yielding what we term epistructural polarization. To quantify this effect, an equation is derived from first principles relating epistructural polarization with the magnitude of local distortions in water coordination causative of interfacial tension. The equation defines a nanoscale electrostatic model of water and enables an estimation of protein denaturation free energies and the inference of hot spots for protein associations. The theoretical results are validated vis-à-vis calorimetric data, revealing the destabilizing effect of epistructural polarization and its molecular origin.
Dissociation rate of bromine diatomics in an argon heat bath

NASA Technical Reports Server (NTRS)

Razner, R.; Hopkins, D.

1973-01-01

The evolution of a collection of 300 K bromine diatomics embedded in a heat bath of argon atoms at 1800 K was studied by computer, and a dissociation-rate constant for the reaction Br2 + BR + Ar yields Br + Ar was determined. Previously published probability distributions for energy and angular momentum transfers in classical three-dimensional Br2-Ar collisions were used in conjunction with a newly developed Monte Carlo scheme for this purpose. Results are compared with experimental shock-tube data and the predictions of several other theoretical models. A departure from equilibrium is obtained which is significantly greater than that predicted by any of these other theories.
Breaking Through the Glass Ceiling: Recent Experimental Approaches to Probe the Properties of Supercooled Liquids near the Glass Transition.

PubMed

Smith, R Scott; Kay, Bruce D

2012-03-15

Experimental measurements of the properties of supercooled liquids at temperatures near their glass transition temperatures, Tg, are requisite for understanding the behavior of glasses and amorphous solids. Unfortunately, many supercooled molecular liquids rapidly crystallize at temperatures far above their Tg, making such measurements difficult to nearly impossible. In this Perspective, we discuss some recent alternative approaches to obtain experimental data in the temperature regime near Tg. These new approaches may yield the additional experimental data necessary to test current theoretical models of the dynamical slowdown that occurs in supercooled liquids approaching the glass transition.
Far-ultraviolet energy distributions of the metal-poor A stars HD 109995 and HD 161817

NASA Technical Reports Server (NTRS)

Boehm-Vitense, E.

1981-01-01

Low-resolution IUE spectra at wavelengths between 1300 and 3400 A of the metal-poor stars HD 109995 (A1p) and HD 161817 (A4p) have been compared with model-atmosphere energy distributions computed by Kurucz (1979). Good overall agreement is found. Effective temperatures, metal abundances, and angular diameters could be determined. Assuming an absolute visual magnitude of 0.7, the previously determined gravity log = 3 yields masses of 0.5 solar masses for both stars. It is found that the theoretical UBV colors calculated earlier agree reaonably well with the ones observed for these stars.
Building a Middle-Range Theory of Adaptive Spirituality.

PubMed

Dobratz, Marjorie C

2016-04-01

The purpose of this article is to describe a Roy adaptation model based- research abstraction, the findings of which were synthesized into a middle-range theory (MRT) of adaptive spirituality. The published literature yielded 21 empirical studies that investigated religion/spirituality. Quantitative results supported the influence of spirituality on quality of life, psychosocial adjustment, well-being, adaptive coping, and the self-concept mode. Qualitative findings showed the importance of spiritual expressions, values, and beliefs in adapting to chronic illness, bereavement, death, and other life transitions. These findings were abstracted into six theoretical statements, a conceptual definition of adaptive spirituality, and three hypotheses for future testing. © The Author(s) 2016.
Optimal control strategy for an impulsive stochastic competition system with time delays and jumps

NASA Astrophysics Data System (ADS)

Liu, Lidan; Meng, Xinzhu; Zhang, Tonghua

2017-07-01

Driven by both white and jump noises, a stochastic delayed model with two competitive species in a polluted environment is proposed and investigated. By using the comparison theorem of stochastic differential equations and limit superior theory, sufficient conditions for persistence in mean and extinction of two species are established. In addition, we obtain that the system is asymptotically stable in distribution by using ergodic method. Furthermore, the optimal harvesting effort and the maximum of expectation of sustainable yield (ESY) are derived from Hessian matrix method and optimal harvesting theory of differential equations. Finally, some numerical simulations are provided to illustrate the theoretical results.
Kepler Observations of Rapid Optical Variability in Active Galactic Nuclei

NASA Technical Reports Server (NTRS)

Mushotzky, R. F.; Edelson, R.; Baumgartner, W. H.; Gandhi, P.

2012-01-01

Over three quarters in 2010 - 2011, Kepler monitored optical emission from four active galactic nuclei (AGN) with approx 30 min sampling, > 90% duty cycle and approx < 0.1% repeatability. These data determined the AGN optical fluctuation power spectral density functions (PSDs) over a wide range in temporal frequency. Fits to these PSDs yielded power law slopes of -2.6 to -3.3, much steeper than typically seen in the X-rays. We find evidence that individual AGN exhibit intrinsically different PSD slopes. The steep PSD fits are a challenge to recent AGN variability models but seem consistent with first order MRI theoretical calculations of accretion disk fluctuations.
Experimental demonstration of a quantum annealing algorithm for the traveling salesman problem in a nuclear-magnetic-resonance quantum simulator

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

Chen Hongwei; High Magnetic Field Laboratory, Hefei Institutes of Physical Science, Chinese Academy of Sciences, Hefei 230031; Kong Xi

The method of quantum annealing (QA) is a promising way for solving many optimization problems in both classical and quantum information theory. The main advantage of this approach, compared with the gate model, is the robustness of the operations against errors originated from both external controls and the environment. In this work, we succeed in demonstrating experimentally an application of the method of QA to a simplified version of the traveling salesman problem by simulating the corresponding Schroedinger evolution with a NMR quantum simulator. The experimental results unambiguously yielded the optimal traveling route, in good agreement with the theoretical prediction.
Theoretical models for the regulation of DNA replication in fast-growing bacteria

NASA Astrophysics Data System (ADS)

Creutziger, Martin; Schmidt, Mischa; Lenz, Peter

2012-09-01

Growing in always changing environments, Escherichia coli cells are challenged by the task to coordinate growth and division. In particular, adaption of their growth program to the surrounding medium has to guarantee that the daughter cells obtain fully replicated chromosomes. Replication is therefore to be initiated at the right time, which is particularly challenging in media that support fast growth. Here, the mother cell initiates replication not only for the daughter but also for the granddaughter cells. This is possible only if replication occurs from several replication forks that all need to be correctly initiated. Despite considerable efforts during the last 40 years, regulation of this process is still unknown. Part of the difficulty arises from the fact that many details of the relevant molecular processes are not known. Here, we develop a novel theoretical strategy for dealing with this general problem: instead of analyzing a single model, we introduce a wide variety of 128 different models that make different assumptions about the unknown processes. By comparing the predictions of these models we are able to identify the key quantities that allow the experimental discrimination of the different models. Analysis of these quantities yields that out of the 128 models 94 are not consistent with available experimental data. From the remaining 34 models we are able to conclude that mass growth and DNA replication need either to be truly coupled, by coupling DNA replication initiation to the event of cell division, or to the amount of accumulated mass. Finally, we make suggestions for experiments to further reduce the number of possible regulation scenarios.

The physical state of finely dispersed soil-like systems with drilling sludge as an example

NASA Astrophysics Data System (ADS)

Smagin, A. V.; Kol'Tsov, I. N.; Pepelov, I. L.; Kirichenko, A. V.; Sadovnikova, N. B.; Kinzhaev, R. R.

2011-02-01

The physical state and its dynamics were studied at the quantitative level for drilling sludge (finely dispersed waste of the oil industry). Using original methodological approaches, the main hydrophysical and technological properties of sludge samples were assessed for the first time, including the water retention curve, the specific surface, the water conductivity, the electrical conductivity, the porosity dynamics during shrinkage, the water yield, etc., which are used in the current models of water transfer and the behavior of these soil-like objects under real thermodynamic conditions. The technologically unfavorable phenomenon of the spontaneous swelling of sludge during the storage of drilling waste was theoretically explained. The water regime of the homogeneous 0.5-m thick drilling sludge layer under the free gravity outflow and permanent evaporation of water from the surface was analyzed using the HYDRUS-1D model. The high water retention capacity and the low water conductivity and water yield of sludge do not allow their drying to the three-phase state (with the entry of air) acceptable for terrestrial plants under humid climatic conditions, which explains the spontaneous transformation of sludge pits to only hydromorphic ecosystems.
Effect of temperature on kinetics of biogas production from macroalgae.

PubMed

Membere, Edward; Sallis, Paul

2018-05-08

An assessment was carried out on the effect of temperature on the anaerobic digestion of Laminaria digitata biomass, in batch reactors (25, 35, 45 and 55 °C) with a hydraulic retention time of 40 days. The first order, modified Gompertz and logistics models were used to obtain the kinetic parameters of the biogas production process. Results indicate the chemical composition of the algae substrate could be written as C 316 H 613 O 289 N 13 S 1 , with a theoretical methane yield of 336 ± 0.86 L CH 4  kg VS -1 . Experimental methane yield obtained from the reactors for 25, 35, 45, and 55 °C were 318 ± 1.58, 293 ± 1.11, 271 ± 0.98 and 352 ± 0.63 mL CH 4 /gVS respectively. Their R 2  > 0.90 indicate both models fits well for predicating kinetics of methane production. The lowest k h (0.31), high biodegradability index (0.96) and lag time (9.3-11.7 days) were obtained for 55 °C. Copyright © 2018 Elsevier Ltd. All rights reserved.
Classical vs. evolved quenching parameters and procedures in scintillation measurements: The importance of ionization quenching

NASA Astrophysics Data System (ADS)

Bagán, H.; Tarancón, A.; Rauret, G.; García, J. F.

2008-07-01

The quenching parameters used to model detection efficiency variations in scintillation measurements have not evolved since the decade of 1970s. Meanwhile, computer capabilities have increased enormously and ionization quenching has appeared in practical measurements using plastic scintillation. This study compares the results obtained in activity quantification by plastic scintillation of 14C samples that contain colour and ionization quenchers, using classical (SIS, SCR-limited, SCR-non-limited, SIS(ext), SQP(E)) and evolved (MWA-SCR and WDW) parameters and following three calibration approaches: single step, which does not take into account the quenching mechanism; two steps, which takes into account the quenching phenomena; and multivariate calibration. Two-step calibration (ionization followed by colour) yielded the lowest relative errors, which means that each quenching phenomenon must be specifically modelled. In addition, the sample activity was quantified more accurately when the evolved parameters were used. Multivariate calibration-PLS also yielded better results than those obtained using classical parameters, which confirms that the quenching phenomena must be taken into account. The detection limits for each calibration method and each parameter were close to those obtained theoretically using the Currie approach.
Excessive by-product formation: A key contributor to low isobutanol yields of engineered Saccharomyces cerevisiae strains.

PubMed

Milne, N; Wahl, S A; van Maris, A J A; Pronk, J T; Daran, J M

2016-12-01

It is theoretically possible to engineer Saccharomyces cerevisiae strains in which isobutanol is the predominant catabolic product and high-yielding isobutanol-producing strains are already reported by industry. Conversely, isobutanol yields of engineered S. cerevisiae strains reported in the scientific literature typically remain far below 10% of the theoretical maximum. This study explores possible reasons for these suboptimal yields by a mass-balancing approach. A cytosolically located, cofactor-balanced isobutanol pathway, consisting of a mosaic of bacterial enzymes whose in vivo functionality was confirmed by complementation of null mutations in branched-chain amino acid metabolism, was expressed in S. cerevisiae . Product formation by the engineered strain was analysed in shake flasks and bioreactors. In aerobic cultures, the pathway intermediate isobutyraldehyde was oxidized to isobutyrate rather than reduced to isobutanol. Moreover, significant concentrations of the pathway intermediates 2,3-dihydroxyisovalerate and α-ketoisovalerate, as well as diacetyl and acetoin, accumulated extracellularly. While the engineered strain could not grow anaerobically, micro-aerobic cultivation resulted in isobutanol formation at a yield of 0.018±0.003 mol/mol glucose. Simultaneously, 2,3-butanediol was produced at a yield of 0.649±0.067 mol/mol glucose. These results identify massive accumulation of pathway intermediates, as well as overflow metabolites derived from acetolactate, as an important, previously underestimated contributor to the suboptimal yields of 'academic' isobutanol strains. The observed patterns of by-product formation is consistent with the notion that in vivo activity of the iron-sulphur-cluster-requiring enzyme dihydroxyacid dehydratase is a key bottleneck in the present and previously described 'academic' isobutanol-producing yeast strains.
Holographic dark energy with cosmological constant

NASA Astrophysics Data System (ADS)

Hu, Yazhou; Li, Miao; Li, Nan; Zhang, Zhenhui

2015-08-01

Inspired by the multiverse scenario, we study a heterotic dark energy model in which there are two parts, the first being the cosmological constant and the second being the holographic dark energy, thus this model is named the ΛHDE model. By studying the ΛHDE model theoretically, we find that the parameters d and Ωhde are divided into a few domains in which the fate of the universe is quite different. We investigate dynamical behaviors of this model, and especially the future evolution of the universe. We perform fitting analysis on the cosmological parameters in the ΛHDE model by using the recent observational data. We find the model yields χ2min=426.27 when constrained by Planck+SNLS3+BAO+HST, comparable to the results of the HDE model (428.20) and the concordant ΛCDM model (431.35). At 68.3% CL, we obtain -0.07<ΩΛ0<0.68 and correspondingly 0.04<Ωhde0<0.79, implying at present there is considerable degeneracy between the holographic dark energy and cosmological constant components in the ΛHDE model.
Study of the branching ratio of {psi}(3770){yields}DD in e{sup +}e{sup -{yields}}DD scattering

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

Li Haibo; Qin Xiaoshuai; Yang Maozhi

2010-01-01

Based on the data of BES and Belle, the production of DD in the e{sup +}e{sup -{yields}}DD scattering process is studied in this paper. We analyze the continuum and resonant contributions in the energy region from 3.7 to 4.4 GeV. In the {chi}{sup 2} fit to data, we obtain the resonance parameters of {psi}(3770), the branching ratio of {psi}(3770){yields}DD decay by confronting the data to the theoretical formula where both the contributions of the resonances, continuum and interference effects are included. We obtain the branching ratio of {psi}(3770){yields}DD decay is 97.2%{+-}8.9%, as well as the branching ratio of {psi}(4040), {psi}(4160){yields}DDmore » decays.« less
A Theoretical Reassessment of Microbial Maintenance and Implications for Microbial Ecology Modeling

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

Wang, Gangsheng; Post, Wilfred M

We attempted to reconcile three microbial maintenance models (Herbert, Pirt, and Compromise) through a critical reassessment. We provided a rigorous proof that the true growth yield coefficient (YG) is the ratio of the specific maintenance rate (a in Herbert) to the maintenance coefficient (m in Pirt). Other findings from this study include: (1) the Compromise model is identical to the Herbert for computing microbial growth and substrate consumption, but it expresses the dependence of maintenance on both microbial biomass and substrate; (2) the maximum specific growth rate in the Herbert ( max,H) is higher than those in the other twomore » models ( max,P and max,C), and the difference is the physiological maintenance factor (mq = a); and (3) the overall maintenance coefficient (mT) is more sensitive to mq than to the specific growth rate ( G) and YG. Our critical reassessment of microbial maintenance provides a new approach for quantifying some important components in soil microbial ecology models.« less
Discriminative Nonlinear Analysis Operator Learning: When Cosparse Model Meets Image Classification.

PubMed

Wen, Zaidao; Hou, Biao; Jiao, Licheng

2017-05-03

Linear synthesis model based dictionary learning framework has achieved remarkable performances in image classification in the last decade. Behaved as a generative feature model, it however suffers from some intrinsic deficiencies. In this paper, we propose a novel parametric nonlinear analysis cosparse model (NACM) with which a unique feature vector will be much more efficiently extracted. Additionally, we derive a deep insight to demonstrate that NACM is capable of simultaneously learning the task adapted feature transformation and regularization to encode our preferences, domain prior knowledge and task oriented supervised information into the features. The proposed NACM is devoted to the classification task as a discriminative feature model and yield a novel discriminative nonlinear analysis operator learning framework (DNAOL). The theoretical analysis and experimental performances clearly demonstrate that DNAOL will not only achieve the better or at least competitive classification accuracies than the state-of-the-art algorithms but it can also dramatically reduce the time complexities in both training and testing phases.
Propagation of electromagnetic waves in a turbulent medium

NASA Technical Reports Server (NTRS)

Canuto, V. M.; Hartke, G. J.

1986-01-01

Theoretical modeling of the wealth of experimental data on propagation of electromagnetic radiation through turbulent media has centered on the use of the Heisenberg-Kolmogorov (HK) model, which is, however, valid only for medium to small sized eddies. Ad hoc modifications of the HK model to encompass the large-scale region of the eddy spectrum have been widely used, but a sound physical basis has been lacking. A model for large-scale turbulence that was recently proposed is applied to the above problem. The spectral density of the temperature field is derived and used to calculate the structure function of the index of refraction N. The result is compared with available data, yielding a reasonably good fit. The variance of N is also in accord with the data. The model is also applied to propagation effects. The phase structure function, covariance of the log amplitude, and variance of the log intensity are calculated. The calculated phase structure function is in excellent agreement with available data.
The global dark halo structure of the Andromeda galaxy

NASA Astrophysics Data System (ADS)

Hayashi, Kohei; Chiba, Masashi

2014-01-01

We set new limits on the global shape of the dark halo in the Andromeda galaxy based on axisymmetric mass models constructed by Hayashi & Chiba (2012). This is motivated by the fact that CDM models predict non-spherical virialized dark halos, which reflect the process of mass assembly in the galactic scale. Based on the application of our models to latest kinematical data of globular clusters and dwarf spheroidal galaxies in the Andromeda halo, we find that the most plausible cases for Andromeda yield not a spherical but a prolate shape for its dark halo. We also find that the prolate dark halo is consistent with theoretical predictions in which the satellites are distributed anisotropically and preferentially located along major axes of their galactic host halos. It is a reflection of the intimate connection between galactic dark matter halos and the cosmic web.
Sampling-free Bayesian inversion with adaptive hierarchical tensor representations

NASA Astrophysics Data System (ADS)

Eigel, Martin; Marschall, Manuel; Schneider, Reinhold

2018-03-01

A sampling-free approach to Bayesian inversion with an explicit polynomial representation of the parameter densities is developed, based on an affine-parametric representation of a linear forward model. This becomes feasible due to the complete treatment in function spaces, which requires an efficient model reduction technique for numerical computations. The advocated perspective yields the crucial benefit that error bounds can be derived for all occuring approximations, leading to provable convergence subject to the discretization parameters. Moreover, it enables a fully adaptive a posteriori control with automatic problem-dependent adjustments of the employed discretizations. The method is discussed in the context of modern hierarchical tensor representations, which are used for the evaluation of a random PDE (the forward model) and the subsequent high-dimensional quadrature of the log-likelihood, alleviating the ‘curse of dimensionality’. Numerical experiments demonstrate the performance and confirm the theoretical results.
Electron-impact ionization of atomic hydrogen at incident electron energies of 15.6, 17.6, 25, and 40 eV

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

Childers, J. G.; James, K. E.; Hughes, M.

2003-09-01

Absolute doubly differential cross sections for the electron-impact ionization of atomic hydrogen have been measured from near threshold to intermediate energies. The measurements are calibrated to the well-established, accurate differential cross section for electron-impact excitation of the atomic hydrogen transition H(1{sup 2}S{yields}2{sup 2}S+2{sup 2}P). In these experiments background secondary electrons are suppressed by moving the atomic hydrogen target source to and from the collision region. Measurements cover the incident electron energy range of 14.6-40 eV, for scattering angles of 10 degree sign -120 degree sign and are found to be in very good agreement with the results of the mostmore » advanced theoretical models--the convergent close-coupling model and the exterior complex scaling model.« less
Decay of Far-Flowfield in Trailing Vortices

NASA Technical Reports Server (NTRS)

Baldwin, B. S.; Chigier, N. A.; Sheaffer, Y. S.

1973-01-01

Methods for reduction of velocities in trailing vortices of large aircraft are of current interest for the purpose of shortening the waiting time between landings at central airports. We have made finite-difference calculations of the flow in turbulent wake vortices as an aid to interpretation of wind-tunnel and flight experiments directed toward that end. Finite-difference solutions are capable of adding flexibility to such investigations if they are based on an adequate model of turbulence. Interesting developments have been taking place in the knowledge of turbulence that may lead to a complete theory in the future. In the meantime, approximate methods that yield reasonable agreement with experiment are appropriate. The simplified turbulence model we have selected contains features that account for the major effects disclosed by more sophisticated models in which the parameters are not yet established. Several puzzles are thereby resolved that arose in previous theoretical investigations of wake vortices.
On the significance of including the thermal motion of ions in determining the ion distribution behind a satellite

NASA Technical Reports Server (NTRS)

Samir, U.; Widjaja, D.

1981-01-01

A comparative investigation concerning the spatial distribution of ions in the wake of small bodies was conducted using the theoretical wake models of Call (1969) and Parker (1976). Results for bodies with radius/ambient Debye length ratios of 2 and 5, with an electron temperature equal to the ambient electron temperature, and for the ionic Mach numbers S = 2, 4, 6, 8 are presented. Since the main physical difference between the models is in the consideration of the thermal motion of ions (Parker) versus ignoring this component (Call), a comparison between the models yields the quantitative significance of this component in determining the distribution of ions in the wake of artificial satellites. The application of this result to future experiments to be conducted on board the Spacelab and for any other large space platform in the area of space plasma physics is mentioned.
Persistent grief in the aftermath of mass violence: the predictive roles of posttraumatic stress symptoms, self-efficacy, and disrupted worldview.

PubMed

Smith, Andrew J; Abeyta, Andrew A; Hughes, Michael; Jones, Russell T

2015-03-01

This study tested a conceptual model merging anxiety buffer disruption and social-cognitive theories to predict persistent grief severity among students who lost a close friend, significant other, and/or professor/teacher in tragic university campus shootings. A regression-based path model tested posttraumatic stress (PTS) symptom severity 3 to 4 months postshooting (Time 1) as a predictor of grief severity 1 year postshootings (Time 2), both directly and indirectly through cognitive processes (self-efficacy and disrupted worldview). Results revealed a model that predicted 61% of the variance in Time 2 grief severity. Hypotheses were supported, demonstrating that Time 1 PTS severity indirectly, positively predicted Time 2 grief severity through undermining self-efficacy and more severely disrupting worldview. Findings and theoretical interpretation yield important insights for future research and clinical application. (PsycINFO Database Record (c) 2015 APA, all rights reserved).
Migration confers winter survival benefits in a partially migratory songbird

PubMed Central

Zúñiga, Daniel; Gager, Yann; Kokko, Hanna; Fudickar, Adam Michael; Schmidt, Andreas; Naef-Daenzer, Beat; Wikelski, Martin

2017-01-01

To evolve and to be maintained, seasonal migration, despite its risks, has to yield fitness benefits compared with year-round residency. Empirical data supporting this prediction have remained elusive in the bird literature. To test fitness related benefits of migration, we studied a partial migratory population of European blackbirds (Turdus merula) over 7 years. Using a combination of capture-mark-recapture and radio telemetry, we compared survival probabilities between migrants and residents estimated by multi-event survival models, showing that migrant blackbirds had 16% higher probability to survive the winter compared to residents. A subsequent modelling exercise revealed that residents should have 61.25% higher breeding success than migrants, to outweigh the survival costs of residency. Our results support theoretical models that migration should confer survival benefits to evolve, and thus provide empirical evidence to understand the evolution and maintenance of migration. PMID:29157357
Information models of software productivity - Limits on productivity growth

NASA Technical Reports Server (NTRS)

Tausworthe, Robert C.

1992-01-01

Research into generalized information-metric models of software process productivity establishes quantifiable behavior and theoretical bounds. The models establish a fundamental mathematical relationship between software productivity and the human capacity for information traffic, the software product yield (system size), information efficiency, and tool and process efficiencies. An upper bound is derived that quantifies average software productivity and the maximum rate at which it may grow. This bound reveals that ultimately, when tools, methodologies, and automated assistants have reached their maximum effective state, further improvement in productivity can only be achieved through increasing software reuse. The reuse advantage is shown not to increase faster than logarithmically in the number of reusable features available. The reuse bound is further shown to be somewhat dependent on the reuse policy: a general 'reuse everything' policy can lead to a somewhat slower productivity growth than a specialized reuse policy.
Lifetime of heavy hypernuclei and its implications on the weak ΛN interaction

NASA Astrophysics Data System (ADS)

Cassing, W.; Jarczyk, L.; Kamys, B.; Kulessa, P.; Ohm, H.; Pysz, K.; Rudy, Z.; Schult, O. W. B.; Ströher, H.

The lifetime of the Λ-hyperon in heavy hypernuclei measured in proton-Au, -Bi and -U collisions by the COSY-13 Collaboration at COSY-Jülich has been analyzed to yield τΛ = (145+/-11) ps. This value for τΛ is compatible with the lifetime extracted from antiproton annihilation on Bi and U targets, albeit much more accurate. Theoretical models based on the meson exchange picture and assuming the validity of the phenomenological ΔI = 1/2 rule predict the lifetime of heavy hypernuclei to be significantly larger (2-3 standard deviations). Such large differences indicate that at least one of the assumptions in these models is not fulfilled. A much better reproduction of the lifetimes of heavy hypernuclei is achieved in the phase space model, if the ΔI = 1/2 rule is discarded in the nonmesonic Λ decay.
A fiber-reinforced-fluid model of anisotropic plant root cell growth

NASA Astrophysics Data System (ADS)

Jensen, Oliver E.; Dyson, Rosemary J.

2009-11-01

We present a theoretical model of a single cell in the expansion zone of the primary root of the plant Arabidopsis thaliana. The cell undergoes rapid elongation with approximately constant radius. Growth is driven by high internal turgor pressure causing viscous stretching of the cell wall, with embedded cellulose microfibrils providing the wall with strongly anisotropic properties. We represent the cell as a thin cylindrical fiber-reinforced viscous sheet between rigid end plates. Asymptotic reduction of the governing equations, under simple sets of assumptions about fiber and wall properties, yields variants of the traditional Lockhart equation that relates the axial cell growth rate to the internal pressure. The model provides insights into the geometric and biomechanical parameters underlying bulk quantities such as wall extensibility and shows how either dynamical changes in wall material properties or passive fibre reorientation may suppress cell elongation.
Fertility intentions and outcomes: Implementing the Theory of Planned Behavior with graphical models.

PubMed

Mencarini, Letizia; Vignoli, Daniele; Gottard, Anna

2015-03-01

This paper studies fertility intentions and their outcomes, analyzing the complete path leading to fertility behavior according to the social psychological model of Theory Planned Behavior (TPB). We move beyond existing research using graphical models to have a precise understanding, and a formal description, of the developmental fertility decision-making process. Our findings yield new results for the Italian case which are empirically robust and theoretically coherent, adding important insights to the effectiveness of the TPB for fertility research. In line with TPB, all intentions' primary antecedents are found to be determinants of the level of fertility intentions, but do not affect fertility outcomes, being pre-filtered by fertility intentions. Nevertheless, in contrast with TPB, background factors are not fully mediated by intentions' primary antecedents, influencing directly fertility intentions and even fertility behaviors. Copyright © 2014 Elsevier Ltd. All rights reserved.

Effect of wave function on the proton induced L XRP cross sections for {sub 62}Sm and {sub 74}W

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

Shehla,; Kaur, Rajnish; Kumar, Anil

The L{sub k}(k= 1, α, β, γ) X-ray production cross sections have been calculated for {sub 74}W and {sub 62}Sm at different incident proton energies ranging 1-5 MeV using theoretical data sets of different physical parameters, namely, the Li(i=1-3) sub-shell X-ray emission rates based on the Dirac-Fork (DF) model, the fluorescence and Coster Kronig yields based on the Dirac- Hartree-Slater (DHS) model and two sets the proton ionization cross sections based on the DHS model and the ECPSSR in order to assess the influence of the wave function on the XRP cross sections. The calculated cross sections have been compared withmore » the measured cross sections reported in the recent compilation to check the reliability of the calculated values.« less
Theoretical and experimental determination of K - and L -shell x-ray relaxation parameters in Ni

NASA Astrophysics Data System (ADS)

Guerra, M.; Sampaio, J. M.; Parente, F.; Indelicato, P.; Hönicke, P.; Müller, M.; Beckhoff, B.; Marques, J. P.; Santos, J. P.

2018-04-01

Fluorescence yields (FY) for the Ni K and L shells were determined by a theoretical and an experimental group within the framework of the International Initiative on X-ray Fundamental Parameters (FPs) collaboration. Coster-Kronig (CK) parameters were also measured for the L shell of Ni. Theoretical calculations of the same parameters were performed using the Dirac-Fock method, including relativistic and QED corrections. The experimental values for the FY and CK were determined at the PTB laboratory in the synchrotron radiation facility BESSY II, Berlin, Germany, and are compared to the corresponding calculated values.
Imaging of transient surface acoustic waves by full-field photorefractive interferometry.

PubMed

Xiong, Jichuan; Xu, Xiaodong; Glorieux, Christ; Matsuda, Osamu; Cheng, Liping

2015-05-01

A stroboscopic full-field imaging technique based on photorefractive interferometry for the visualization of rapidly changing surface displacement fields by using of a standard charge-coupled device (CCD) camera is presented. The photorefractive buildup of the space charge field during and after probe laser pulses is simulated numerically. The resulting anisotropic diffraction upon the refractive index grating and the interference between the polarization-rotated diffracted reference beam and the transmitted signal beam are modeled theoretically. The method is experimentally demonstrated by full-field imaging of the propagation of photoacoustically generated surface acoustic waves with a temporal resolution of nanoseconds. The surface acoustic wave propagation in a 23 mm × 17 mm area on an aluminum plate was visualized with 520 × 696 pixels of the CCD sensor, yielding a spatial resolution of 33 μm. The short pulse duration (8 ns) of the probe laser yields the capability of imaging SAWs with frequencies up to 60 MHz.
Jet-like correlations with direct-photon and neutral-pion triggers at √{sNN} = 200 GeV

NASA Astrophysics Data System (ADS)

Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alekseev, I.; Anderson, D. M.; Aparin, A.; Arkhipkin, D.; Aschenauer, E. C.; Ashraf, M. U.; Attri, A.; Averichev, G. S.; Bai, X.; Bairathi, V.; Bellwied, R.; Bhasin, A.; Bhati, A. K.; Bhattarai, P.; Bielcik, J.; Bielcikova, J.; Bland, L. C.; Bordyuzhin, I. G.; Bouchet, J.; Brandenburg, J. D.; Brandin, A. V.; Bunzarov, I.; Butterworth, J.; Caines, H.; Calderón de la Barca Sánchez, M.; Campbell, J. M.; Cebra, D.; Chakaberia, I.; Chaloupka, P.; Chang, Z.; Chatterjee, A.; Chattopadhyay, S.; Chen, X.; Chen, J. H.; Cheng, J.; Cherney, M.; Christie, W.; Contin, G.; Crawford, H. J.; Das, S.; De Silva, L. C.; Debbe, R. R.; Dedovich, T. G.; Deng, J.; Derevschikov, A. A.; di Ruzza, B.; Didenko, L.; Dilks, C.; Dong, X.; Drachenberg, J. L.; Draper, J. E.; Du, C. M.; Dunkelberger, L. E.; Dunlop, J. C.; Efimov, L. G.; Engelage, J.; Eppley, G.; Esha, R.; Evdokimov, O.; Eyser, O.; Fatemi, R.; Fazio, S.; Federic, P.; Fedorisin, J.; Feng, Z.; Filip, P.; Fisyak, Y.; Flores, C. E.; Fulek, L.; Gagliardi, C. A.; Garand, D.; Geurts, F.; Gibson, A.; Girard, M.; Greiner, L.; Grosnick, D.; Gunarathne, D. S.; Guo, Y.; Gupta, S.; Gupta, A.; Guryn, W.; Hamad, A. I.; Hamed, A.; Haque, R.; Harris, J. W.; He, L.; Heppelmann, S.; Heppelmann, S.; Hirsch, A.; Hoffmann, G. W.; Horvat, S.; Huang, T.; Huang, B.; Huang, X.; Huang, H. Z.; Huck, P.; Humanic, T. J.; Igo, G.; Jacobs, W. W.; Jang, H.; Jentsch, A.; Jia, J.; Jiang, K.; Judd, E. G.; Kabana, S.; Kalinkin, D.; Kang, K.; Kauder, K.; Ke, H. W.; Keane, D.; Kechechyan, A.; Khan, Z. H.; Kikoła, D. P.; Kisel, I.; Kisiel, A.; Kochenda, L.; Koetke, D. D.; Kosarzewski, L. K.; Kraishan, A. F.; Kravtsov, P.; Krueger, K.; Kumar, L.; Lamont, M. A. C.; Landgraf, J. M.; Landry, K. D.; Lauret, J.; Lebedev, A.; Lednicky, R.; Lee, J. H.; Li, X.; Li, Y.; Li, C.; Li, W.; Li, X.; Lin, T.; Lisa, M. A.; Liu, F.; Liu, Y.; Ljubicic, T.; Llope, W. J.; Lomnitz, M.; Longacre, R. S.; Luo, X.; Luo, S.; Ma, G. L.; Ma, L.; Ma, Y. G.; Ma, R.; Magdy, N.; Majka, R.; Manion, A.; Margetis, S.; Markert, C.; Matis, H. S.; McDonald, D.; McKinzie, S.; Meehan, K.; Mei, J. C.; Miller, Z. W.; Minaev, N. G.; Mioduszewski, S.; Mishra, D.; Mohanty, B.; Mondal, M. M.; Morozov, D. A.; Mustafa, M. K.; Nandi, B. K.; Nasim, Md.; Nayak, T. K.; Nigmatkulov, G.; Niida, T.; Nogach, L. V.; Noh, S. Y.; Novak, J.; Nurushev, S. B.; Odyniec, G.; Ogawa, A.; Oh, K.; Okorokov, V. A.; Olvitt, D.; Page, B. S.; Pak, R.; Pan, Y. X.; Pandit, Y.; Panebratsev, Y.; Pawlik, B.; Pei, H.; Perkins, C.; Pile, P.; Pluta, J.; Poniatowska, K.; Porter, J.; Posik, M.; Poskanzer, A. M.; Pruthi, N. K.; Przybycien, M.; Putschke, J.; Qiu, H.; Quintero, A.; Ramachandran, S.; Ray, R. L.; Reed, R.; Ritter, H. G.; Roberts, J. B.; Rogachevskiy, O. V.; Romero, J. L.; Ruan, L.; Rusnak, J.; Rusnakova, O.; Sahoo, N. R.; Sahu, P. K.; Sakrejda, I.; Salur, S.; Sandweiss, J.; Sarkar, A.; Schambach, J.; Scharenberg, R. P.; Schmah, A. M.; Schmidke, W. B.; Schmitz, N.; Seger, J.; Seyboth, P.; Shah, N.; Shahaliev, E.; Shanmuganathan, P. V.; Shao, M.; Sharma, A.; Sharma, B.; Sharma, M. K.; Shen, W. Q.; Shi, Z.; Shi, S. S.; Shou, Q. Y.; Sichtermann, E. P.; Sikora, R.; Simko, M.; Singha, S.; Skoby, M. J.; Smirnov, D.; Smirnov, N.; Solyst, W.; Song, L.; Sorensen, P.; Spinka, H. M.; Srivastava, B.; Stanislaus, T. D. S.; Stepanov, M.; Stock, R.; Strikhanov, M.; Stringfellow, B.; Sumbera, M.; Summa, B.; Sun, Y.; Sun, Z.; Sun, X. M.; Surrow, B.; Svirida, D. N.; Tang, Z.; Tang, A. H.; Tarnowsky, T.; Tawfik, A.; Thäder, J.; Thomas, J. H.; Timmins, A. R.; Tlusty, D.; Todoroki, T.; Tokarev, M.; Trentalange, S.; Tribble, R. E.; Tribedy, P.; Tripathy, S. K.; Tsai, O. D.; Ullrich, T.; Underwood, D. G.; Upsal, I.; Van Buren, G.; van Nieuwenhuizen, G.; Vandenbroucke, M.; Varma, R.; Vasiliev, A. N.; Vertesi, R.; Videbæk, F.; Vokal, S.; Voloshin, S. A.; Vossen, A.; Wang, H.; Wang, F.; Wang, Y.; Wang, J. S.; Wang, G.; Wang, Y.; Webb, J. C.; Webb, G.; Wen, L.; Westfall, G. D.; Wieman, H.; Wissink, S. W.; Witt, R.; Wu, Y.; Xiao, Z. G.; Xie, W.; Xie, G.; Xin, K.; Xu, N.; Xu, Q. H.; Xu, Z.; Xu, J.; Xu, H.; Xu, Y. F.; Yang, S.; Yang, Y.; Yang, C.; Yang, Y.; Yang, Y.; Yang, Q.; Ye, Z.; Ye, Z.; Yi, L.; Yip, K.; Yoo, I.-K.; Yu, N.; Zbroszczyk, H.; Zha, W.; Zhang, Z.; Zhang, J. B.; Zhang, S.; Zhang, S.; Zhang, X. P.; Zhang, Y.; Zhang, J.; Zhang, J.; Zhao, J.; Zhong, C.; Zhou, L.; Zhu, X.; Zoulkarneeva, Y.; Zyzak, M.; STAR Collaboration

2016-09-01

Azimuthal correlations of charged hadrons with direct-photon (γdir) and neutral-pion (π0) trigger particles are analyzed in central Au+Au and minimum-bias p + p collisions at √{sNN} = 200 GeV in the STAR experiment. The charged-hadron per-trigger yields at mid-rapidity from central Au+Au collisions are compared with p + p collisions to quantify the suppression in Au+Au collisions. The suppression of the away-side associated-particle yields per γdir trigger is independent of the transverse momentum of the trigger particle (pTtrig), whereas the suppression is smaller at low transverse momentum of the associated charged hadrons (pTassoc). Within uncertainty, similar levels of suppression are observed for γdir and π0 triggers as a function of zT (≡ pTassoc/pTtrig). The results are compared with energy-loss-inspired theoretical model predictions. Our studies support previous conclusions that the lost energy reappears predominantly at low transverse momentum, regardless of the trigger energy.
A two-step optimization strategy for 2nd generation ethanol production using softwood hemicellulosic hydrolysate as fermentation substrate.

PubMed

Boboescu, Iulian-Zoltan; Gélinas, Malorie; Beigbeder, Jean-Baptiste; Lavoie, Jean-Michel

2017-11-01

Ethanol production using waste biomass represents a very attractive approach. However, there are considerable challenges preventing a wide distribution of these novel technologies. Thus, a fractional-factorial screening of process variables and Saccharomyces cerevisiae yeast inoculum conditions was performed using a synthetic fermentation media. Subsequently, a response-surface methodology was developed for maximizing ethanol yields using a hemicellulosic solution generated through the chemical hydrolysis of steam treatment broth obtained from residual softwood biomass. In addition, nutrient supplementation using starch-based ethanol production by-products was investigated. An ethanol yield of 74.27% of the theoretical maximum was observed for an initial concentration of 65.17g/L total monomeric sugars. The two-step experimental strategy used in this work represents the first successful attempt to developed and use a model to make predictions regarding the optimal ethanol production using both softwood feedstock residues as well as 1st generation ethanol production by-products. Copyright © 2017 Elsevier Ltd. All rights reserved.
Synthesis of Monodisperse Chitosan Nanoparticles and in Situ Drug Loading Using Active Microreactor.

PubMed

Kamat, Vivek; Marathe, Ila; Ghormade, Vandana; Bodas, Dhananjay; Paknikar, Kishore

2015-10-21

Chitosan nanoparticles are promising drug delivery vehicles. However, the conventional method of unregulated mixing during ionic gelation limits their application because of heterogeneity in size and physicochemical properties. Therefore, a detailed theoretical analysis of conventional and active microreactor models was simulated. This led to design and fabrication of a polydimethylsiloxane microreactor with magnetic micro needles for the synthesis of monodisperse chitosan nanoparticles. Chitosan nanoparticles synthesized conventionally, using 0.5 mg/mL chitosan, were 250 ± 27 nm with +29.8 ± 8 mV charge. Using similar parameters, the microreactor yielded small size particles (154 ± 20 nm) at optimized flow rate of 400 μL/min. Further optimization at 0.4 mg/mL chitosan concentration yielded particles (130 ± 9 nm) with higher charge (+39.8 ± 5 mV). The well-controlled microreactor-based mixing generated highly monodisperse particles with tunable properties including antifungal drug entrapment (80%), release rate, and effective activity (MIC, 1 μg/mL) against Candida.
Atomic electric fields revealed by a quantum mechanical approach to electron picodiffraction.

PubMed

Müller, Knut; Krause, Florian F; Béché, Armand; Schowalter, Marco; Galioit, Vincent; Löffler, Stefan; Verbeeck, Johan; Zweck, Josef; Schattschneider, Peter; Rosenauer, Andreas

2014-12-15

By focusing electrons on probes with a diameter of 50 pm, aberration-corrected scanning transmission electron microscopy (STEM) is currently crossing the border to probing subatomic details. A major challenge is the measurement of atomic electric fields using differential phase contrast (DPC) microscopy, traditionally exploiting the concept of a field-induced shift of diffraction patterns. Here we present a simplified quantum theoretical interpretation of DPC. This enables us to calculate the momentum transferred to the STEM probe from diffracted intensities recorded on a pixel array instead of conventional segmented bright-field detectors. The methodical development yielding atomic electric field, charge and electron density is performed using simulations for binary GaN as an ideal model system. We then present a detailed experimental study of SrTiO3 yielding atomic electric fields, validated by comprehensive simulations. With this interpretation and upgraded instrumentation, STEM is capable of quantifying atomic electric fields and high-contrast imaging of light atoms.
Atomic electric fields revealed by a quantum mechanical approach to electron picodiffraction

NASA Astrophysics Data System (ADS)

Müller, Knut; Krause, Florian F.; Béché, Armand; Schowalter, Marco; Galioit, Vincent; Löffler, Stefan; Verbeeck, Johan; Zweck, Josef; Schattschneider, Peter; Rosenauer, Andreas

2014-12-01

By focusing electrons on probes with a diameter of 50 pm, aberration-corrected scanning transmission electron microscopy (STEM) is currently crossing the border to probing subatomic details. A major challenge is the measurement of atomic electric fields using differential phase contrast (DPC) microscopy, traditionally exploiting the concept of a field-induced shift of diffraction patterns. Here we present a simplified quantum theoretical interpretation of DPC. This enables us to calculate the momentum transferred to the STEM probe from diffracted intensities recorded on a pixel array instead of conventional segmented bright-field detectors. The methodical development yielding atomic electric field, charge and electron density is performed using simulations for binary GaN as an ideal model system. We then present a detailed experimental study of SrTiO3 yielding atomic electric fields, validated by comprehensive simulations. With this interpretation and upgraded instrumentation, STEM is capable of quantifying atomic electric fields and high-contrast imaging of light atoms.
The CMC:3DPNS computer program for prediction of three-dimensional, subsonic, turbulent aerodynamic juncture region flow. Volume 1: Theoretical

NASA Technical Reports Server (NTRS)

Baker, A. J.

1982-01-01

An order-of-magnitude analysis of the subsonic three dimensional steady time averaged Navier-Stokes equations, for semibounded aerodynamic juncture geometries, yields the parabolic Navier-Stokes simplification. The numerical solution of the resultant pressure Poisson equation is cast into complementary and particular parts, yielding an iterative interaction algorithm with an exterior three dimensional potential flow solution. A parabolic transverse momentum equation set is constructed, wherein robust enforcement of first order continuity effects is accomplished using a penalty differential constraint concept within a finite element solution algorithm. A Reynolds stress constitutive equation, with low turbulence Reynolds number wall functions, is employed for closure, using parabolic forms of the two-equation turbulent kinetic energy-dissipation equation system. Numerical results document accuracy, convergence, and utility of the developed finite element algorithm, and the CMC:3DPNS computer code applied to an idealized wing-body juncture region. Additional results document accuracy aspects of the algorithm turbulence closure model.
Growth kinetics of Chlorococcum humicola - A potential feedstock for biomass with biofuel properties.

PubMed

Thomas, Jibu; Jayachithra, E V

2015-11-01

Economically viable production facilities for microalgae depend on the optimization of growth parameters with regard to nutrient requirements. Using microalgae to treat industrial effluents containing heavy metals presents an alternative to the current practice of using physical and chemical methods. Present work focuses on the statistical optimization of growth of Chlorococcum humicola to ascertain the maximum production of biomass. Plackett Burman design was carried out to screen the significant variables influencing biomass production. Further, Response Surface Methodology was employed to optimize the effect of inoculum, light intensity and pH on net biomass yield. Optimum conditions for maximum biomass yield were identified to be inoculum at 15%, light intensity to be 1500lx and pH 8.5. Theoretical and predicted values were in agreement and thus the model was found to be significant. Gas chromatography analyses of the FAME derivatives showed a high percentage of saturated fatty acids thereby confirming the biofuel properties of the oil derived from algal biomass. Copyright © 2015 Elsevier Inc. All rights reserved.
Atomic electric fields revealed by a quantum mechanical approach to electron picodiffraction

PubMed Central

Müller, Knut; Krause, Florian F.; Béché, Armand; Schowalter, Marco; Galioit, Vincent; Löffler, Stefan; Verbeeck, Johan; Zweck, Josef; Schattschneider, Peter; Rosenauer, Andreas

2014-01-01

By focusing electrons on probes with a diameter of 50 pm, aberration-corrected scanning transmission electron microscopy (STEM) is currently crossing the border to probing subatomic details. A major challenge is the measurement of atomic electric fields using differential phase contrast (DPC) microscopy, traditionally exploiting the concept of a field-induced shift of diffraction patterns. Here we present a simplified quantum theoretical interpretation of DPC. This enables us to calculate the momentum transferred to the STEM probe from diffracted intensities recorded on a pixel array instead of conventional segmented bright-field detectors. The methodical development yielding atomic electric field, charge and electron density is performed using simulations for binary GaN as an ideal model system. We then present a detailed experimental study of SrTiO3 yielding atomic electric fields, validated by comprehensive simulations. With this interpretation and upgraded instrumentation, STEM is capable of quantifying atomic electric fields and high-contrast imaging of light atoms. PMID:25501385
Absolute dimensions and masses of eclipsing binaries. V. IQ Persei

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

Lacy, C.H.; Frueh, M.L.

1985-08-01

New photometric and spectroscopic observations of the 1.7 day eclipsing binary IQ Persei (B8 + A6) have been analyzed to yield very accurate fundamental properties of the system. Reticon spectroscopic observations obtained at McDonald Observatory were used to determine accurate radial velocities of both stars in this slightly eccentric large light-ratio binary. A new set of VR light curves obtained at McDonald Observatory were analyzed by synthesis techniques, and previously published UBV light curves were reanalyzed to yield accurate photometric orbits. Orbital parameters derived from both sets of photometric observations are in excellent agreement. The absolute dimensions, masses, luminosities, andmore » apsidal motion period (140 yr) derived from these observations agree well with the predictions of theoretical stellar evolution models. The A6 secondary is still very close to the zero-age main sequence. The B8 primary is about one-third of the way through its main-sequence evolution. 27 references.« less
Cracking the chocolate egg problem: polymeric films coated on curved substrates

NASA Astrophysics Data System (ADS)

Brun, Pierre-Thomas; Lee, Anna; Marthelot, Joel; Balestra, Gioele; Gallaire, François; Reis, Pedro

2015-11-01

Inspired by the traditional chocolate egg recipe, we show that pouring a polymeric solution onto spherical molds yields a simple and robust path of fabrication of thin elastic curved shells. The drainage dynamics naturally leads to uniform coatings frozen in time as the polymer cures, which are subsequently peeled off their mold. We show how the polymer curing affects the drainage dynamics and eventually selects the shell thickness and sets its uniformity. To this end, we perform coating experiments using silicon based elastomers, Vinylpolysiloxane (VPS) and Polydimethylsiloxane (PDMS). These results are rationalized combining numerical simulations of the lubrication flow field to a theoretical model of the dynamics yielding an analytical prediction of the formed shell characteristics. In particular, the robustness of the coating technique and its flexibility, two critical features for providing a generic framework for future studies, are shown to be an inherent consequence of the flow field (memory loss). The shell structure is both independent of initial conditions and tailorable by changing a single experimental parameter.
Theoretical vs. empirical discriminability: the application of ROC methods to eyewitness identification.

PubMed

Wixted, John T; Mickes, Laura

2018-01-01

Receiver operating characteristic (ROC) analysis was introduced to the field of eyewitness identification 5 years ago. Since that time, it has been both influential and controversial, and the debate has raised an issue about measuring discriminability that is rarely considered. The issue concerns the distinction between empirical discriminability (measured by area under the ROC curve) vs. underlying/theoretical discriminability (measured by d' or variants of it). Under most circumstances, the two measures will agree about a difference between two conditions in terms of discriminability. However, it is possible for them to disagree, and that fact can lead to confusion about which condition actually yields higher discriminability. For example, if the two conditions have implications for real-world practice (e.g., a comparison of competing lineup formats), should a policymaker rely on the area-under-the-curve measure or the theory-based measure? Here, we illustrate the fact that a given empirical ROC yields as many underlying discriminability measures as there are theories that one is willing to take seriously. No matter which theory is correct, for practical purposes, the singular area-under-the-curve measure best identifies the diagnostically superior procedure. For that reason, area under the ROC curve informs policy in a way that underlying theoretical discriminability never can. At the same time, theoretical measures of discriminability are equally important, but for a different reason. Without an adequate theoretical understanding of the relevant task, the field will be in no position to enhance empirical discriminability.
Alcoholic fermentation with flocculant Saccharomyces cerevisiae in fed-batch process.

PubMed

Guidini, Carla Zanella; Marquez, Líbia Diniz Santos; de Almeida Silva, Helisângela; de Resende, Miriam Maria; Cardoso, Vicelma Luiz; Ribeiro, Eloízio Júlio

2014-02-01

Studies have been conducted on selecting yeast strains for use in fermentation for ethanol production to improve the performance of industrial plants and decrease production costs. In this paper, we study alcoholic fermentation in a fed-batch process using a Saccharomyces cerevisiae yeast strain with flocculant characteristics. Central composite design (CCD) was used to determine the optimal combination of the variables involved, with the sucrose concentration of 170 g/L, a cellular concentration in the inoculum of 40% (v/v), and a filling time of 6 h, which resulted in a 92.20% yield relative to the theoretical maximum yield, a productivity of 6.01 g/L h and a residual sucrose concentration of 44.33 g/L. With some changes in the process such as recirculation of medium during the fermentation process and increase in cellular concentration in the inoculum after use of the CCD was possible to reduce the residual sucrose concentration to 2.8 g/L in 9 h of fermentation and increase yield and productivity for 92.75% and 9.26 g/L h, respectively. A model was developed to describe the inhibition of alcoholic fermentation kinetics by the substrate and the product. The maximum specific growth rate was 0.103 h(-1), with K(I) and K(s) values of 109.86 and 30.24 g/L, respectively. The experimental results from the fed-batch reactor show a good fit with the proposed model, resulting in a maximum growth rate of 0.080 h(-1).
Quantum coherence effects in natural light-induced processes: cis-trans photoisomerization of model retinal under incoherent excitation.

PubMed

Tscherbul, Timur V; Brumer, Paul

2015-12-14

We present a theoretical study of quantum coherence effects in the primary cis-trans photoisomerization of retinal in rhodopsin induced by incoherent solar light. Using the partial secular Bloch-Redfield quantum master equation approach based on a two-state two-mode linear vibronic coupling model of the retinal chromophore [S. Hahn and G. Stock, J. Phys. Chem. B, 2000, 104, 1146-1149], we show that a sudden turn-on of incoherent pumping can generate substantial Fano coherences among the excited states of retinal. These coherences are the most pronounced in the regime where the matrix elements of the transition dipole moment between the ground and excited eigenstates are parallel to one another. We show that even when the transition dipole moments are perpendicular (implying the absence of light-induced Fano coherence) a small amount of excited-state coherence is still generated due to the coupling to intramolecular vibrational modes and the protein environment, causing depopulation of the excited eigenstates. The overall effect of the coherences on the steady-state population and on the photoproduct quantum yield is shown to be small; however we observe a significant transient effect on the formation of the trans photoproduct, enhancing the photoreaction quantum yield by ∼11% at 200 fs. These calculations suggest that coupling to intramolecular vibrational modes and the protein environment play an important role in photoreaction dynamics, suppressing oscillations in the quantum yield associated with Fano interference.
Production of ethanol and feed by high dry matter hydrolysis and fermentation of palm kernel press cake.

PubMed

Jørgensen, Henning; Sanadi, Anand R; Felby, Claus; Lange, Niels Erik Krebs; Fischer, Morten; Ernst, Steffen

2010-05-01

Palm kernel press cake (PKC) is a residue from palm oil extraction presently only used as a low protein feed supplement. PKC contains 50% fermentable hexose sugars present in the form of glucan and mainly galactomannan. This makes PKC an interesting feedstock for processing into bioethanol or in other biorefinery processes. Using a combination of mannanase, beta-mannosidase, and cellulases, it was possible without any pretreatment to hydrolyze PKC at solid concentrations of 35% dry matter with mannose yields up to 88% of theoretical. Fermentation was tested using Saccharomyces cerevisiae in both a separate hydrolysis and fermentation (SHF) and simultaneous saccharification and fermentation (SSF) setup. The hydrolysates could readily be fermented without addition of nutrients and with average fermentation yields of 0.43 +/- 0.02 g/g based on consumed mannose and glucose. Employing SSF, final ethanol concentrations of 70 g/kg was achieved in 216 h, corresponding to an ethanol yield of 70% of theoretical or 200 g ethanol/kg PKC. Testing various enzyme mixtures revealed that including cellulases in combination with mannanases significantly improved ethanol yields. Processing PKC to ethanol resulted in a solid residue enriched in protein from 17% to 28%, a 70% increase, thereby potentially making a high-protein containing feed supplement.
Production of ethanol and xylitol from corn cobs by yeasts.

PubMed

Latif, F; Rajoka, M I

2001-03-01

Saccharomyces cerevisiae and Candida tropicalis were used separately and as co-culture for simultaneous saccharification and fermentation (SSF) of 5-20% (w/v) dry corn cobs. A maximal ethanol concentration of 27, 23, 21 g/l (w/v) from 200 g/l (w/v) dry corn cobs was obtained by S. cerevisiae, C. tropicalis and the co-culture, respectively, after 96 h of fermentation. However, theoretical yields of 82%, 71% and 63% were observed from 50 g/l dry corn cobs for the above cultures, respectively. Maximal xylitol concentration of 21, 20 and 15 g/l from 200 g/l (w/v) dry corn cobs was obtained by C. tropicalis, co-culture, and S. cerevisiae, respectively. Maximum theoretical yields of 79.0%, 77.0% and 58% were observed from 50 g/l of corn cobs, respectively. The volumetric productivities for ethanol and xylitol increased with the increase in substrate concentration, whereas, yield decreased. Glycerol and acetic acid were formed as minor by-products. S. cerevisiae and C. tropicalis resulted in better product yields (0.42 and 0.36 g/g) for ethanol and (0.52 and 0.71 g/g) for xylitol, respectively, whereas, the co-culture showed moderate level of ethanol (0.32 g/g) and almost maximal levels of xylitol (0.69 g/g).
A phenomenological molecular model for yielding and brittle-ductile transition of polymer glasses

NASA Astrophysics Data System (ADS)

Wang, Shi-Qing; Cheng, Shiwang; Lin, Panpan; Li, Xiaoxiao

2014-09-01

This work formulates, at a molecular level, a phenomenological theoretical description of the brittle-ductile transition (BDT) in tensile extension, exhibited by all polymeric glasses of high molecular weight (MW). The starting point is our perception of a polymer glass (under large deformation) as a structural hybrid, consisting of a primary structure due to the van der Waals bonding and a chain network whose junctions are made of pairs of hairpins and function like chemical crosslinks due to the intermolecular uncrossability. During extension, load-bearing strands (LBSs) emerge between the junctions in the affinely strained chain network. Above the BDT, i.e., at "warmer" temperatures where the glass is less vitreous, the influence of the chain network reaches out everywhere by activating all segments populated transversely between LBSs, starting from those adjacent to LBSs. It is the chain network that drives the primary structure to undergo yielding and plastic flow. Below the BDT, the glassy state is too vitreous to yield before the chain network suffers a structural breakdown. Thus, brittle failure becomes inevitable. For any given polymer glass of high MW, there is one temperature TBD or a very narrow range of temperature where the yielding of the glass barely takes place as the chain network also reaches the point of a structural failure. This is the point of the BDT. A theoretical analysis of the available experimental data reveals that (a) chain pullout occurs at the BDT when the chain tension builds up to reach a critical value fcp during tensile extension; (b) the limiting value of fcp, extrapolated to far below the glass transition temperature Tg, is of a universal magnitude around 0.2-0.3 nN, for all eight polymers examined in this work; (c) pressurization, which is known [K. Matsushige, S. V. Radcliffe, and E. Baer, J. Appl. Polym. Sci. 20, 1853 (1976)] to make brittle polystyrene (PS) and poly(methyl methacrylate) (PMMA) ductile at room temperature, can cause fcp to rise above its ambient value, reaching 0.6 nN at 0.8 kbar. Our theoretical description identifies the areal density ψ of LBSs in the chain network as the key structural parameter to depict the characteristics of the BDT for all polymer glasses made of flexible (Gaussian) linear chains. In particular, it explains the surprising linear correlation between the tensile stress σBD at the BDT and ψ. Moreover, the theoretical picture elucidates how and why each of the following four factors can change the coordinates (σBD, TBD) of the BDT: (i) mechanical "rejuvenation" (i.e., large deformation below Tg), (ii) physical aging, (iii) melt stretching, and (iv) pressurization. Finally, two methods are put forward to delineate the degree of vitrification among various polymer glasses. First, we plot the distance of the BDT from Tg, i.e., Tg/TBD as a function of ψ to demonstrate that different classes of polymer glasses with varying degree of vitrification show different functional dependence of Tg/TBD on ψ. Second, we plot the tensile yield stress σY as a function Tg/T to show that bisphenol-A polycarbonate (bpA-PC) is less vitreous than PS and PMMA whose σY is considerably higher and shows much stronger dependence on Tg/T than that of bpA-PC.
A phenomenological molecular model for yielding and brittle-ductile transition of polymer glasses.

PubMed

Wang, Shi-Qing; Cheng, Shiwang; Lin, Panpan; Li, Xiaoxiao

2014-09-07

This work formulates, at a molecular level, a phenomenological theoretical description of the brittle-ductile transition (BDT) in tensile extension, exhibited by all polymeric glasses of high molecular weight (MW). The starting point is our perception of a polymer glass (under large deformation) as a structural hybrid, consisting of a primary structure due to the van der Waals bonding and a chain network whose junctions are made of pairs of hairpins and function like chemical crosslinks due to the intermolecular uncrossability. During extension, load-bearing strands (LBSs) emerge between the junctions in the affinely strained chain network. Above the BDT, i.e., at "warmer" temperatures where the glass is less vitreous, the influence of the chain network reaches out everywhere by activating all segments populated transversely between LBSs, starting from those adjacent to LBSs. It is the chain network that drives the primary structure to undergo yielding and plastic flow. Below the BDT, the glassy state is too vitreous to yield before the chain network suffers a structural breakdown. Thus, brittle failure becomes inevitable. For any given polymer glass of high MW, there is one temperature TBD or a very narrow range of temperature where the yielding of the glass barely takes place as the chain network also reaches the point of a structural failure. This is the point of the BDT. A theoretical analysis of the available experimental data reveals that (a) chain pullout occurs at the BDT when the chain tension builds up to reach a critical value f(cp) during tensile extension; (b) the limiting value of f(cp), extrapolated to far below the glass transition temperature T(g), is of a universal magnitude around 0.2-0.3 nN, for all eight polymers examined in this work; (c) pressurization, which is known [K. Matsushige, S. V. Radcliffe, and E. Baer, J. Appl. Polym. Sci. 20, 1853 (1976)] to make brittle polystyrene (PS) and poly(methyl methacrylate) (PMMA) ductile at room temperature, can cause f(cp) to rise above its ambient value, reaching 0.6 nN at 0.8 kbar. Our theoretical description identifies the areal density ψ of LBSs in the chain network as the key structural parameter to depict the characteristics of the BDT for all polymer glasses made of flexible (Gaussian) linear chains. In particular, it explains the surprising linear correlation between the tensile stress σ(BD) at the BDT and ψ. Moreover, the theoretical picture elucidates how and why each of the following four factors can change the coordinates (σ(BD), T(BD)) of the BDT: (i) mechanical "rejuvenation" (i.e., large deformation below T(g)), (ii) physical aging, (iii) melt stretching, and (iv) pressurization. Finally, two methods are put forward to delineate the degree of vitrification among various polymer glasses. First, we plot the distance of the BDT from T(g), i.e., T(g)/T(BD) as a function of ψ to demonstrate that different classes of polymer glasses with varying degree of vitrification show different functional dependence of T(g)/T(BD) on ψ. Second, we plot the tensile yield stress σ(Y) as a function T(g)/T to show that bisphenol-A polycarbonate (bpA-PC) is less vitreous than PS and PMMA whose σ(Y) is considerably higher and shows much stronger dependence on T(g)/T than that of bpA-PC.

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