Uncertainty quantification of effective nuclear interactions

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

Pérez, R. Navarro; Amaro, J. E.; Arriola, E. Ruiz

We give a brief review on the development of phenomenological NN interactions and the corresponding quanti cation of statistical uncertainties. We look into the uncertainty of effective interactions broadly used in mean eld calculations through the Skyrme parameters and effective eld theory counter-terms by estimating both statistical and systematic uncertainties stemming from the NN interaction. We also comment on the role played by different tting strategies on the light of recent developments.

First and Higher Order Effects on Zero Order Radiative Transfer Model

NASA Astrophysics Data System (ADS)

Neelam, M.; Mohanty, B.

2014-12-01

Microwave radiative transfer model are valuable tool in understanding the complex land surface interactions. Past literature has largely focused on local sensitivity analysis for factor priotization and ignoring the interactions between the variables and uncertainties around them. Since land surface interactions are largely nonlinear, there always exist uncertainties, heterogeneities and interactions thus it is important to quantify them to draw accurate conclusions. In this effort, we used global sensitivity analysis to address the issues of variable uncertainty, higher order interactions, factor priotization and factor fixing for zero-order radiative transfer (ZRT) model. With the to-be-launched Soil Moisture Active Passive (SMAP) mission of NASA, it is very important to have a complete understanding of ZRT for soil moisture retrieval to direct future research and cal/val field campaigns. This is a first attempt to use GSA technique to quantify first order and higher order effects on brightness temperature from ZRT model. Our analyses reflect conditions observed during the growing agricultural season for corn and soybeans in two different regions in - Iowa, U.S.A and Winnipeg, Canada. We found that for corn fields in Iowa, there exist significant second order interactions between soil moisture, surface roughness parameters (RMS height and correlation length) and vegetation parameters (vegetation water content, structure and scattering albedo), whereas in Winnipeg, second order interactions are mainly due to soil moisture and vegetation parameters. But for soybean fields in both Iowa and Winnipeg, we found significant interactions only to exist between soil moisture and surface roughness parameters.

Non-standard neutrino interactions in the mu–tau sector

DOE PAGES

Mocioiu, Irina; Wright, Warren

2015-04-01

We discuss neutrino mass hierarchy implications arising from the effects of non-standard neutrino interactions on muon rates in high statistics atmospheric neutrino oscillation experiments like IceCube DeepCore. We concentrate on the mu–tau sector, which is presently the least constrained. It is shown that the magnitude of the effects depends strongly on the sign of the ϵμτ parameter describing this non-standard interaction. A simple analytic model is used to understand the parameter space where differences between the two signs are maximized. We discuss how this effect is partially degenerate with changing the neutrino mass hierarchy, as well as how this degeneracymore » could be lifted.« less

Kinetic compensation effect in the thermal desorption of a binary gas mixture

NASA Astrophysics Data System (ADS)

Zuniga-Hansen, Nayeli; Silbert, Leonardo E.; Calbi, M. Mercedes

The kinetic compensation effect, observed in many different areas of science, is the systematic change in the magnitudes of the Arrhenius parameters Ea, the energy of activation and ν, the preexponential factor, as a response to external perturbing parameters. Its existence continues to be debated as it has not been explicitly demonstrated and its physical origins remain poorly understood. As part of a systematic study of different factors that alter the energy of activation during thermal desorption, we have performed numerical studies of the effects of adsorbate-adsorbate interactions on the Arrhenius parameters, as well as the effects of changes in surface morphology. Our results have consistently shown that there is a partial compensation effect between Ea and lnν and a tendency towards isokinetic equilibrium when the system transitions from an interacting to a non-interacting regime. In the present work we study the effects of the presence of two different chemical species. With our systematic study we expect to provide a deeper insight into the microscopic events that originate compensation effects, not only in our system, but also in other fields where these effects have been reported.

Flow structure generated by perpendicular blade-vortex interaction and implications for helicopter noise prediction. Volume 1: Measurements

NASA Technical Reports Server (NTRS)

Wittmer, Kenneth S.; Devenport, William J.

1996-01-01

The perpendicular interaction of a streamwise vortex with an infinite span helicopter blade was modeled experimentally in incompressible flow. Three-component velocity and turbulence measurements were made using a sub-miniature four sensor hot-wire probe. Vortex core parameters (radius, peak tangential velocity, circulation, and centerline axial velocity deficit) were determined as functions of blade-vortex separation, streamwise position, blade angle of attack, vortex strength, and vortex size. The downstream development of the flow shows that the interaction of the vortex with the blade wake is the primary cause of the changes in the core parameters. The blade sheds negative vorticity into its wake as a result of the induced angle of attack generated by the passing vortex. Instability in the vortex core due to its interaction with this negative vorticity region appears to be the catalyst for the magnification of the size and intensity of the turbulent flowfield downstream of the interaction. In general, the core radius increases while peak tangential velocity decreases with the effect being greater for smaller separations. These effects are largely independent of blade angle of attack; and if these parameters are normalized on their undisturbed values, then the effects of the vortex strength appear much weaker. Two theoretical models were developed to aid in extending the results to other flow conditions. An empirical model was developed for core parameter prediction which has some rudimentary physical basis, implying usefulness beyond a simple curve fit. An inviscid flow model was also created to estimate the vorticity shed by the interaction blade, and to predict the early stages of its incorporation into the interacting vortex.

Interactions between vortex tubes and magnetic-flux rings at high kinetic and magnetic Reynolds numbers

NASA Astrophysics Data System (ADS)

Kivotides, Demosthenes

2018-03-01

The interactions between vortex tubes and magnetic-flux rings in incompressible magnetohydrodynamics are investigated at high kinetic and magnetic Reynolds numbers, and over a wide range of the interaction parameter. The latter is a measure of the turnover time of the large-scale fluid motions in units of the magnetic damping time, or of the strength of the Lorentz force in units of the inertial force. The small interaction parameter results, which are related to kinematic turbulent dynamo studies, indicate the evolution of magnetic rings into flattened spirals wrapped around the vortex tubes. This process is also observed at intermediate interaction parameter values, only now the Lorentz force creates new vortical structures at the magnetic spiral edges, which have a striking solenoid vortex-line structure, and endow the flattened magnetic-spiral surfaces with a curvature. At high interaction parameter values, the decisive physical factor is Lorentz force effects. The latter create two (adjacent to the magnetic ring) vortex rings that reconnect with the vortex tube by forming an intriguing, serpentinelike, vortex-line structure, and generate, in turn, two new magnetic rings, adjacent to the initial one. In this regime, the morphologies of the vorticity and magnetic field structures are similar. The effects of these structures on kinetic and magnetic energy spectra, as well as on the direction of energy transfer between flow and magnetic fields, are also indicated.

Lifestyle Factors and Metabolic Syndrome among Workers: The Role of Interactions between Smoking and Alcohol to Nutrition and Exercise

PubMed Central

Huang, Jui-Hua; Li, Ren-Hau; Huang, Shu-Ling; Sia, Hon-Ke; Chen, Yu-Ling; Tang, Feng-Cheng

2015-01-01

This study aimed to investigate (1) relations of smoking and alcohol to metabolic syndrome (MetS) and its components, with nutrition and exercise controlled; and (2) interactions between smoking/alcohol and nutrition/exercise on MetS. This cross-sectional study enrolled 4025 workers. Self-reported lifestyles, anthropometric values, blood pressure (BP), and biochemical determinations were obtained. Among males, smoking significantly increased the risk of low high-density lipoprotein cholesterol (HDL-C), high triglyceride, abdominal obesity (AO), and MetS. Additionally, smoking showed significant interaction effects with nutrition on high BP, AO, and MetS; after further analysis, nutrition did not decrease above-mentioned risks for smokers. However, there was no significant interaction of smoking with exercise on any metabolic parameter. Alcohol increased the risk of AO, but decreased low HDL-C. It also showed an interaction effect with exercise on AO; after further analysis, exercise decreased AO risk for drinkers. Among females, alcohol significantly decreased the risk of high fasting blood glucose, but did not show significant interaction with nutrition/exercise on any metabolic parameter. In conclusion, in males, smoking retained significant associations with MetS and its components, even considering benefits of nutrition; exercise kept predominance on lipid parameters regardless of smoking status. Alcohol showed inconsistencies on metabolic parameters for both genders. PMID:26694434

Lifestyle Factors and Metabolic Syndrome among Workers: The Role of Interactions between Smoking and Alcohol to Nutrition and Exercise.

PubMed

Huang, Jui-Hua; Li, Ren-Hau; Huang, Shu-Ling; Sia, Hon-Ke; Chen, Yu-Ling; Tang, Feng-Cheng

2015-12-16

This study aimed to investigate (1) relations of smoking and alcohol to metabolic syndrome (MetS) and its components, with nutrition and exercise controlled; and (2) interactions between smoking/alcohol and nutrition/exercise on MetS. This cross-sectional study enrolled 4025 workers. Self-reported lifestyles, anthropometric values, blood pressure (BP), and biochemical determinations were obtained. Among males, smoking significantly increased the risk of low high-density lipoprotein cholesterol (HDL-C), high triglyceride, abdominal obesity (AO), and MetS. Additionally, smoking showed significant interaction effects with nutrition on high BP, AO, and MetS; after further analysis, nutrition did not decrease above-mentioned risks for smokers. However, there was no significant interaction of smoking with exercise on any metabolic parameter. Alcohol increased the risk of AO, but decreased low HDL-C. It also showed an interaction effect with exercise on AO; after further analysis, exercise decreased AO risk for drinkers. Among females, alcohol significantly decreased the risk of high fasting blood glucose, but did not show significant interaction with nutrition/exercise on any metabolic parameter. In conclusion, in males, smoking retained significant associations with MetS and its components, even considering benefits of nutrition; exercise kept predominance on lipid parameters regardless of smoking status. Alcohol showed inconsistencies on metabolic parameters for both genders.

Assessment of parameter uncertainty in hydrological model using a Markov-Chain-Monte-Carlo-based multilevel-factorial-analysis method

NASA Astrophysics Data System (ADS)

Zhang, Junlong; Li, Yongping; Huang, Guohe; Chen, Xi; Bao, Anming

2016-07-01

Without a realistic assessment of parameter uncertainty, decision makers may encounter difficulties in accurately describing hydrologic processes and assessing relationships between model parameters and watershed characteristics. In this study, a Markov-Chain-Monte-Carlo-based multilevel-factorial-analysis (MCMC-MFA) method is developed, which can not only generate samples of parameters from a well constructed Markov chain and assess parameter uncertainties with straightforward Bayesian inference, but also investigate the individual and interactive effects of multiple parameters on model output through measuring the specific variations of hydrological responses. A case study is conducted for addressing parameter uncertainties in the Kaidu watershed of northwest China. Effects of multiple parameters and their interactions are quantitatively investigated using the MCMC-MFA with a three-level factorial experiment (totally 81 runs). A variance-based sensitivity analysis method is used to validate the results of parameters' effects. Results disclose that (i) soil conservation service runoff curve number for moisture condition II (CN2) and fraction of snow volume corresponding to 50% snow cover (SNO50COV) are the most significant factors to hydrological responses, implying that infiltration-excess overland flow and snow water equivalent represent important water input to the hydrological system of the Kaidu watershed; (ii) saturate hydraulic conductivity (SOL_K) and soil evaporation compensation factor (ESCO) have obvious effects on hydrological responses; this implies that the processes of percolation and evaporation would impact hydrological process in this watershed; (iii) the interactions of ESCO and SNO50COV as well as CN2 and SNO50COV have an obvious effect, implying that snow cover can impact the generation of runoff on land surface and the extraction of soil evaporative demand in lower soil layers. These findings can help enhance the hydrological model's capability for simulating/predicting water resources.

dbAMEPNI: a database of alanine mutagenic effects for protein–nucleic acid interactions

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

Liu, Ling; Xiong, Yi; Gao, Hongyun

Protein–nucleic acid interactions play essential roles in various biological activities such as gene regulation, transcription, DNA repair and DNA packaging. Understanding the effects of amino acid substitutions on protein–nucleic acid binding affinities can help elucidate the molecular mechanism of protein–nucleic acid recognition. Until now, no comprehensive and updated database of quantitative binding data on alanine mutagenic effects for protein–nucleic acid interactions is publicly accessible. Thus, we developed a new database of Alanine Mutagenic Effects for Protein-Nucleic Acid Interactions (dbAMEPNI). dbAMEPNI is a manually curated, literature-derived database, comprising over 577 alanine mutagenic data with experimentally determined binding affinities for protein–nucleic acidmore » complexes. Here, it contains several important parameters, such as dissociation constant (Kd), Gibbs free energy change (ΔΔG), experimental conditions and structural parameters of mutant residues. In addition, the database provides an extended dataset of 282 single alanine mutations with only qualitative data (or descriptive effects) of thermodynamic information.« less

dbAMEPNI: a database of alanine mutagenic effects for protein–nucleic acid interactions

DOE PAGES

Liu, Ling; Xiong, Yi; Gao, Hongyun; ...

2018-04-02

Protein–nucleic acid interactions play essential roles in various biological activities such as gene regulation, transcription, DNA repair and DNA packaging. Understanding the effects of amino acid substitutions on protein–nucleic acid binding affinities can help elucidate the molecular mechanism of protein–nucleic acid recognition. Until now, no comprehensive and updated database of quantitative binding data on alanine mutagenic effects for protein–nucleic acid interactions is publicly accessible. Thus, we developed a new database of Alanine Mutagenic Effects for Protein-Nucleic Acid Interactions (dbAMEPNI). dbAMEPNI is a manually curated, literature-derived database, comprising over 577 alanine mutagenic data with experimentally determined binding affinities for protein–nucleic acidmore » complexes. Here, it contains several important parameters, such as dissociation constant (Kd), Gibbs free energy change (ΔΔG), experimental conditions and structural parameters of mutant residues. In addition, the database provides an extended dataset of 282 single alanine mutations with only qualitative data (or descriptive effects) of thermodynamic information.« less

Acute effect of Vagus nerve stimulation parameters on cardiac chronotropic, inotropic, and dromotropic responses

NASA Astrophysics Data System (ADS)

Ojeda, David; Le Rolle, Virginie; Romero-Ugalde, Hector M.; Gallet, Clément; Bonnet, Jean-Luc; Henry, Christine; Bel, Alain; Mabo, Philippe; Carrault, Guy; Hernández, Alfredo I.

2017-11-01

Vagus nerve stimulation (VNS) is an established therapy for drug-resistant epilepsy and depression, and is considered as a potential therapy for other pathologies, including Heart Failure (HF) or inflammatory diseases. In the case of HF, several experimental studies on animals have shown an improvement in the cardiac function and a reverse remodeling of the cardiac cavity when VNS is applied. However, recent clinical trials have not been able to reproduce the same response in humans. One of the hypothesis to explain this lack of response is related to the way in which stimulation parameters are defined. The combined effect of VNS parameters is still poorly-known, especially in the case of VNS synchronously delivered with cardiac activity. In this paper, we propose a methodology to analyze the acute cardiovascular effects of VNS parameters individually, as well as their interactive effects. A Latin hypercube sampling method was applied to design a uniform experimental plan. Data gathered from this experimental plan was used to produce a Gaussian process regression (GPR) model in order to estimate unobserved VNS sequences. Finally, a Morris screening sensitivity analysis method was applied to each obtained GPR model. Results highlight dominant effects of pulse current, pulse width and number of pulses over frequency and delay and, more importantly, the degree of interactions between these parameters on the most important acute cardiovascular responses. In particular, high interacting effects between current and pulse width were found. Similar sensitivity profiles were observed for chronotropic, dromotropic and inotropic effects. These findings are of primary importance for the future development of closed-loop, personalized neuromodulator technologies.

Controlling the transmitted information of a multi-photon interacting with a single-Cooper pair box

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

Kadry, Heba, E-mail: hkadry1@yahoo.com; Abdel-Aty, Abdel-Haleem, E-mail: hkadry1@yahoo.com; Zakaria, Nordin, E-mail: hkadry1@yahoo.com

2014-10-24

We study a model of a multi-photon interaction of a single Cooper pair box with a cavity field. The exchange of the information using this system is studied. We quantify the fidelity of the transmitted information. The effect of the system parameters (detuning parameter, field photons, state density and mean photon number) in the fidelity of the transmitted information is investigated. We found that the fidelity of the transmitted information can be controlled using the system parameters.

Dipole-relaxation parameters for Ce3+-Fint- complexes in CaF2:Ce and CaF2:Ce,Mn

NASA Astrophysics Data System (ADS)

Jassemnejad, B.; McKeever, S. W. S.

1987-12-01

Dipole-relaxation parameters for Ce3+-Fint- centers (C4v symmetry) in CaF2 are calculated using the method of ionic thermocurrents (ITC). The data indicate concentration-dependent effects if analyzed using the traditional ITC equation, assuming a single value for the reorientation activation energy. This analysis is unable to account for an observed broadening of the ITC peak as more Ce is added to the crystals. However, as has been published for other MF2:R3+ systems, we find that the broadening can be successfully accounted for by adopting a modified ITC equation which allows for a Gaussian distribution of activation energies about a mean value E0 and with a distribution width p. The parameter E0 is found to be independent of dipole content while p is found to increase with increasing dipole concentration. The data are consistent with a perturbation of the dipole-relaxation parameters due to interactions with other defects within the system. However, the strength of the observed effects is difficult to explain by invoking electrostatic dipole-dipole interactions only. Other perturbations, due perhaps to monopole-dipole interactions or elastic interactions, must be taking place. The data indicate that dipole concentrations calculated by ITC will be in error in the presence of such interactions due to a reduction in the mean contribution per dipole to the overall polarization density. For samples in which interaction effects are negligible, we calculate a dipole moment of 3.12×10-29 C m. The data further indicate that that the addition of Mn to the system causes a decrease in the interaction effects via a reduction in the Ce C4v center dipole moment. It appears that the broadening of the ITC curve is sensitive to the defect structure surrounding the dipoles.

Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects

DOE PAGES

Nguyen, Manh Cuong; Yao, Yongxin; Wang, Cai-Zhuang; ...

2018-05-16

The dependence of the magnetocrystalline anisotropy energy (MAE) in MCo 5 (M = Y, La, Ce, Gd) and CoPt on the Coulomb correlations and strength of spin orbit (SO) interaction within the GGA + U scheme is investigated. A range of parameters suitable for the satisfactory description of key magnetic properties is determined. We show that for a large variation of SO interaction the MAE in these materials can be well described by the traditional second order perturbation theory. We also show that in these materials the MAE can be both proportional and negatively proportional to the orbital moment anisotropymore » (OMA) of Co atoms. Dependence of relativistic effects on Coulomb correlations, applicability of the second order perturbation theory for the description of MAE, and effective screening of the SO interaction in these systems are discussed using a generalized virial theorem. Finally, such determined sets of parameters of Coulomb correlations can be used in much needed large scale atomistic simulations.« less

Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects

NASA Astrophysics Data System (ADS)

Nguyen, Manh Cuong; Yao, Yongxin; Wang, Cai-Zhuang; Ho, Kai-Ming; Antropov, Vladimir P.

2018-05-01

The dependence of the magnetocrystalline anisotropy energy (MAE) in MCo5 (M  =  Y, La, Ce, Gd) and CoPt on the Coulomb correlations and strength of spin orbit (SO) interaction within the GGA  +  U scheme is investigated. A range of parameters suitable for the satisfactory description of key magnetic properties is determined. We show that for a large variation of SO interaction the MAE in these materials can be well described by the traditional second order perturbation theory. We also show that in these materials the MAE can be both proportional and negatively proportional to the orbital moment anisotropy (OMA) of Co atoms. Dependence of relativistic effects on Coulomb correlations, applicability of the second order perturbation theory for the description of MAE, and effective screening of the SO interaction in these systems are discussed using a generalized virial theorem. Such determined sets of parameters of Coulomb correlations can be used in much needed large scale atomistic simulations.

Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects

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

Nguyen, Manh Cuong; Yao, Yongxin; Wang, Cai-Zhuang

The dependence of the magnetocrystalline anisotropy energy (MAE) in MCo 5 (M = Y, La, Ce, Gd) and CoPt on the Coulomb correlations and strength of spin orbit (SO) interaction within the GGA + U scheme is investigated. A range of parameters suitable for the satisfactory description of key magnetic properties is determined. We show that for a large variation of SO interaction the MAE in these materials can be well described by the traditional second order perturbation theory. We also show that in these materials the MAE can be both proportional and negatively proportional to the orbital moment anisotropymore » (OMA) of Co atoms. Dependence of relativistic effects on Coulomb correlations, applicability of the second order perturbation theory for the description of MAE, and effective screening of the SO interaction in these systems are discussed using a generalized virial theorem. Finally, such determined sets of parameters of Coulomb correlations can be used in much needed large scale atomistic simulations.« less

Reaction-mediated entropic effect on phase separation in a binary polymer system

NASA Astrophysics Data System (ADS)

Sun, Shujun; Guo, Miaocai; Yi, Xiaosu; Zhang, Zuoguang

2017-10-01

We present a computer simulation to study the phase separation behavior induced by polymerization in a binary system comprising polymer chains and reactive monomers. We examined the influence of interaction parameter between components and monomer concentration on the reaction-induced phase separation. The simulation results demonstrate that increasing interaction parameter (enthalpic effect) would accelerate phase separation, while entropic effect plays a key role in the process of phase separation. Furthermore, scanning electron microscopy observations illustrate identical morphologies as found in theoretical simulation. This study may enrich our comprehension of phase separation in polymer mixture.

Zero-range effective field theory for resonant wino dark matter. Part III. Annihilation effects

NASA Astrophysics Data System (ADS)

Braaten, Eric; Johnson, Evan; Zhang, Hong

2018-05-01

Near a critical value of the wino mass where there is a zero-energy S-wave resonance at the neutral-wino-pair threshold, low-energy winos can be described by a zero-range effective field theory (ZREFT) in which the winos interact nonperturbatively through a contact interaction and through Coulomb interactions. The effects of wino-pair annihilation into electroweak gauge bosons are taken into account through the analytic continuation of the real parameters for the contact interaction to complex values. The parameters of ZREFT can be determined by matching wino-wino scattering amplitudes calculated by solving the Schrödinger equation for winos interacting through a real potential due to the exchange of electroweak gauge bosons and an imaginary potential due to wino-pair annihilation into electroweak gauge bosons. ZREFT at leading order gives an accurate analytic description of low-energy wino-wino scattering, inclusive wino-pair annihilation, and a wino-pair bound state. ZREFT can also be applied to partial annihilation rates, such as the Sommerfeld enhancement of the annihilation rate of wino pairs into monochromatic photons.

Factorial experimental design for the culture of human embryonic stem cells as aggregates in stirred suspension bioreactors reveals the potential for interaction effects between bioprocess parameters.

PubMed

Hunt, Megan M; Meng, Guoliang; Rancourt, Derrick E; Gates, Ian D; Kallos, Michael S

2014-01-01

Traditional optimization of culture parameters for the large-scale culture of human embryonic stem cells (ESCs) as aggregates is carried out in a stepwise manner whereby the effect of varying each culture parameter is investigated individually. However, as evidenced by the wide range of published protocols and culture performance indicators (growth rates, pluripotency marker expression, etc.), there is a lack of systematic investigation into the true effect of varying culture parameters especially with respect to potential interactions between culture variables. Here we describe the design and execution of a two-parameter, three-level (3(2)) factorial experiment resulting in nine conditions that were run in duplicate 125-mL stirred suspension bioreactors. The two parameters investigated here were inoculation density and agitation rate, which are easily controlled, but currently, poorly characterized. Cell readouts analyzed included fold expansion, maximum density, and exponential growth rate. Our results reveal that the choice of best case culture parameters was dependent on which cell property was chosen as the primary output variable. Subsequent statistical analyses via two-way analysis of variance indicated significant interaction effects between inoculation density and agitation rate specifically in the case of exponential growth rates. Results indicate that stepwise optimization has the potential to miss out on the true optimal case. In addition, choosing an optimum condition for a culture output of interest from the factorial design yielded similar results when repeated with the same cell line indicating reproducibility. We finally validated that human ESCs remain pluripotent in suspension culture as aggregates under our optimal conditions and maintain their differentiation capabilities as well as a stable karyotype and strong expression levels of specific human ESC markers over several passages in suspension bioreactors.

Research on key factors and their interaction effects of electromagnetic force of high-speed solenoid valve.

PubMed

Liu, Peng; Fan, Liyun; Hayat, Qaisar; Xu, De; Ma, Xiuzhen; Song, Enzhe

2014-01-01

Analysis consisting of numerical simulations along with lab experiments of interaction effects between key parameters on the electromagnetic force based on response surface methodology (RSM) has been also proposed to optimize the design of high-speed solenoid valve (HSV) and improve its performance. Numerical simulation model of HSV has been developed in Ansoft Maxwell environment and its accuracy has been validated through lab experiments. Effect of change of core structure, coil structure, armature structure, working air gap, and drive current on the electromagnetic force of HSV has been analyzed through simulation model and influence rules of various parameters on the electromagnetic force have been established. The response surface model of the electromagnetic force has been utilized to analyze the interaction effect between major parameters. It has been concluded that six interaction factors including working air gap with armature radius, drive current with armature thickness, coil turns with side pole radius, armature thickness with its radius, armature thickness with side pole radius, and armature radius with side pole radius have significant influence on the electromagnetic force. Optimal match values between coil turns and side pole radius; armature thickness and side pole radius; and armature radius and side pole radius have also been determined.

Research on Key Factors and Their Interaction Effects of Electromagnetic Force of High-Speed Solenoid Valve

PubMed Central

Fan, Liyun; Xu, De; Ma, Xiuzhen; Song, Enzhe

2014-01-01

Analysis consisting of numerical simulations along with lab experiments of interaction effects between key parameters on the electromagnetic force based on response surface methodology (RSM) has been also proposed to optimize the design of high-speed solenoid valve (HSV) and improve its performance. Numerical simulation model of HSV has been developed in Ansoft Maxwell environment and its accuracy has been validated through lab experiments. Effect of change of core structure, coil structure, armature structure, working air gap, and drive current on the electromagnetic force of HSV has been analyzed through simulation model and influence rules of various parameters on the electromagnetic force have been established. The response surface model of the electromagnetic force has been utilized to analyze the interaction effect between major parameters. It has been concluded that six interaction factors including working air gap with armature radius, drive current with armature thickness, coil turns with side pole radius, armature thickness with its radius, armature thickness with side pole radius, and armature radius with side pole radius have significant influence on the electromagnetic force. Optimal match values between coil turns and side pole radius; armature thickness and side pole radius; and armature radius and side pole radius have also been determined. PMID:25243217

Effective electrostatic interactions among charged thermo-responsive microgels immersed in a simple electrolyte

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

González-Mozuelos, P.

This work explores the nature and thermodynamic behavior of the effective electrostatic interactions among charged microgels immersed in a simple electrolyte, taking special interest in the effects due to the thermally induced variation of the microgel size while the remaining parameters (microgel charge and concentration, plus the amount of added salt) are kept constant. To this end, the rigorous approach obtained from applying the precise methodology of the dressed ion theory to the proper definition of the effective direct correlation functions, which emerge from tracing-out the degrees of freedom of the microscopic ions, is employed to provide an exact descriptionmore » of the parameters characterizing such interactions: screening length, effective permittivity, and renormalized charges. A model solution with three components is assumed: large permeable anionic spheres for the microgels, plus small charged hard spheres of equal size for the monovalent cations and anions. The two-body correlations among the components of this model suspension, used as the input for the determination of the effective interaction parameters, are here calculated by using the hyper-netted chain approximation. It is then found that at finite microgel concentrations the values of these parameters change as the microgel size increases, even though the ionic strength of the supporting electrolyte and the bare charge of the microgels remain fixed during this process. The variation of the screening length, as well as that of the effective permittivity, is rather small, but still interesting in view of the fact that the corresponding Debye length stays constant. The renormalized charges, in contrast, increase markedly as the microgels swell. The ratio of the renormalized charge to the corresponding analytic result obtained in the context of an extended linear response theory allows us to introduce an effective charge that accounts for the non-linear effects induced by the short-ranged association of microions to the microgels. The behavior of these effective charges as a function of the amount of added salt and the macroion charge, size, and concentration reveals the interplay among all these system parameters.« less

Dynamical recovery of SU(2) symmetry in the mass-quenched Hubbard model

NASA Astrophysics Data System (ADS)

Du, Liang; Fiete, Gregory A.

2018-02-01

We use nonequilibrium dynamical mean-field theory with iterative perturbation theory as an impurity solver to study the recovery of SU(2) symmetry in real time following a hopping integral parameter quench from a mass-imbalanced to a mass-balanced single-band Hubbard model at half filling. A dynamical order parameter γ (t ) is defined to characterize the evolution of the system towards SU(2) symmetry. By comparing the momentum-dependent occupation from an equilibrium calculation [with the SU(2) symmetric Hamiltonian after the quench at an effective temperature] with the data from our nonequilibrium calculation, we conclude that the SU(2) symmetry recovered state is a thermalized state. Further evidence from the evolution of the density of states supports this conclusion. We find the order parameter in the weak Coulomb interaction regime undergoes an approximate exponential decay. We numerically investigate the interplay of the relevant parameters (initial temperature, Coulomb interaction strength, initial mass-imbalance ratio) and their combined effect on the thermalization behavior. Finally, we study evolution of the order parameter as the hopping parameter is changed with either a linear ramp or a pulse. Our results can be useful in strategies to engineer the relaxation behavior of interacting quantum many-particle systems.

Analysis of airframe/engine interactions - An integrated control perspective

NASA Technical Reports Server (NTRS)

Schmidt, David K.; Schierman, John D.; Garg, Sanjay

1990-01-01

Techniques for the analysis of the dynamic interactions between airframe/engine dynamical systems are presented. Critical coupling terms are developed that determine the significance of these interactions with regard to the closed loop stability and performance of the feedback systems. A conceptual model is first used to indicate the potential sources of the coupling, how the coupling manifests itself, and how the magnitudes of these critical coupling terms are used to quantify the effects of the airframe/engine interactions. A case study is also presented involving an unstable airframe with thrust vectoring for attitude control. It is shown for this system with classical, decentralized control laws that there is little airframe/engine interaction, and the stability and performance with those control laws is not affected. Implications of parameter uncertainty in the coupling dynamics is also discussed, and effects of these parameter variations are also demonstrated to be small for this vehicle configuration.

A primer of statistical methods for correlating parameters and properties of electrospun poly(L-lactide) scaffolds for tissue engineering--PART 1: design of experiments.

PubMed

Seyedmahmoud, Rasoul; Rainer, Alberto; Mozetic, Pamela; Maria Giannitelli, Sara; Trombetta, Marcella; Traversa, Enrico; Licoccia, Silvia; Rinaldi, Antonio

2015-01-01

Tissue engineering scaffolds produced by electrospinning are of enormous interest, but still lack a true understanding about the fundamental connection between the outstanding functional properties, the architecture, the mechanical properties, and the process parameters. Fragmentary results from several parametric studies only render some partial insights that are hard to compare and generally miss the role of parameters interactions. To bridge this gap, this article (Part-1 of 2) features a case study on poly-L-lactide scaffolds to demonstrate how statistical methods such as design of experiments can quantitatively identify the correlations existing between key scaffold properties and control parameters, in a systematic, consistent, and comprehensive manner disentangling main effects from interactions. The morphological properties (i.e., fiber distribution and porosity) and mechanical properties (Young's modulus) are "charted" as a function of molecular weight (MW) and other electrospinning process parameters (the Xs), considering the single effect as well as interactions between Xs. For the first time, the major role of the MW emerges clearly in controlling all scaffold properties. The correlation between mechanical and morphological properties is also addressed. © 2014 Wiley Periodicals, Inc.

Towards a First-Principles Determination of Effective Coulomb Interactions in Correlated Electron Materials: Role of Intershell Interactions

NASA Astrophysics Data System (ADS)

Seth, Priyanka; Hansmann, Philipp; van Roekeghem, Ambroise; Vaugier, Loig; Biermann, Silke

2017-08-01

The determination of the effective Coulomb interactions to be used in low-energy Hamiltonians for materials with strong electronic correlations remains one of the bottlenecks for parameter-free electronic structure calculations. We propose and benchmark a scheme for determining the effective local Coulomb interactions for charge-transfer oxides and related compounds. Intershell interactions between electrons in the correlated shell and ligand orbitals are taken into account in an effective manner, leading to a reduction of the effective local interactions on the correlated shell. Our scheme resolves inconsistencies in the determination of effective interactions as obtained by standard methods for a wide range of materials, and allows for a conceptual understanding of the relation of cluster model and dynamical mean field-based electronic structure calculations.

Towards a First-Principles Determination of Effective Coulomb Interactions in Correlated Electron Materials: Role of Intershell Interactions.

PubMed

Seth, Priyanka; Hansmann, Philipp; van Roekeghem, Ambroise; Vaugier, Loig; Biermann, Silke

2017-08-04

The determination of the effective Coulomb interactions to be used in low-energy Hamiltonians for materials with strong electronic correlations remains one of the bottlenecks for parameter-free electronic structure calculations. We propose and benchmark a scheme for determining the effective local Coulomb interactions for charge-transfer oxides and related compounds. Intershell interactions between electrons in the correlated shell and ligand orbitals are taken into account in an effective manner, leading to a reduction of the effective local interactions on the correlated shell. Our scheme resolves inconsistencies in the determination of effective interactions as obtained by standard methods for a wide range of materials, and allows for a conceptual understanding of the relation of cluster model and dynamical mean field-based electronic structure calculations.

Interspecies interactions are an integral determinant of microbial community dynamics

PubMed Central

Aziz, Fatma A. A.; Suzuki, Kenshi; Ohtaki, Akihiro; Sagegami, Keita; Hirai, Hidetaka; Seno, Jun; Mizuno, Naoko; Inuzuka, Yuma; Saito, Yasuhisa; Tashiro, Yosuke; Hiraishi, Akira; Futamata, Hiroyuki

2015-01-01

This study investigated the factors that determine the dynamics of bacterial communities in a complex system using multidisciplinary methods. Since natural and engineered microbial ecosystems are too complex to study, six types of synthetic microbial ecosystems (SMEs) were constructed under chemostat conditions with phenol as the sole carbon and energy source. Two to four phenol-degrading, phylogenetically and physiologically different bacterial strains were used in each SME. Phylogeny was based on the nucleotide sequence of 16S rRNA genes, while physiologic traits were based on kinetic and growth parameters on phenol. Two indices, J parameter and “interspecies interaction,” were compared to predict which strain would become dominant in an SME. The J parameter was calculated from kinetic and growth parameters. On the other hand, “interspecies interaction,” a new index proposed in this study, was evaluated by measuring the specific growth activity, which was determined on the basis of relative growth of a strain with or without the supernatant prepared from other bacterial cultures. Population densities of strains used in SMEs were enumerated by real-time quantitative PCR (qPCR) targeting the gene encoding the large subunit of phenol hydroxylase and were compared to predictions made from J parameter and interspecies interaction calculations. In 4 of 6 SEMs tested the final dominant strain shown by real-time qPCR analyses coincided with the strain predicted by both the J parameter and the interspecies interaction. However, in SMEII-2 and SMEII-3 the final dominant Variovorax strains coincided with prediction of the interspecies interaction but not the J parameter. These results demonstrate that the effects of interspecies interactions within microbial communities contribute to determining the dynamics of the microbial ecosystem. PMID:26539177

Emergence of liquid crystalline order in the lowest Landau level of a quantum Hall system with internal anisotropy

NASA Astrophysics Data System (ADS)

Ciftja, Orion

2018-05-01

It has now become evident that interplay between internal anisotropy parameters (such as electron mass anisotropy and/or anisotropic coupling of electrons to the substrate) and electron-electron correlation effects can create a rich variety of possibilities especially in quantum Hall systems. The electron mass anisotropy or material substrate effects (for example, the piezoelectric effect in GaAs) can lead to an effective anisotropic interaction potential between electrons. For lack of knowledge of realistic ab-initio potentials that may describe such effects, we adopt a phenomenological approach and assume that an anisotropic Coulomb interaction potential mimics the internal anisotropy of the system. In this work we investigate the emergence of liquid crystalline order at filling factor ν = 1/6 of the lowest Landau level, a state very close to the point where a transition from the liquid to the Wigner solid happens. We consider small finite systems of electrons interacting with an anisotropic Coulomb interaction potential and study the energy stability of an anisotropic liquid crystalline state relative to its isotropic Fermi-liquid counterpart. Quantum Monte Carlo simulation results in disk geometry show stabilization of liquid crystalline order driven by an anisotropic Coulomb interaction potential at all values of the interaction anisotropy parameter studied.

Understanding and comparisons of different sampling approaches for the Fourier Amplitudes Sensitivity Test (FAST)

PubMed Central

Xu, Chonggang; Gertner, George

2013-01-01

Fourier Amplitude Sensitivity Test (FAST) is one of the most popular uncertainty and sensitivity analysis techniques. It uses a periodic sampling approach and a Fourier transformation to decompose the variance of a model output into partial variances contributed by different model parameters. Until now, the FAST analysis is mainly confined to the estimation of partial variances contributed by the main effects of model parameters, but does not allow for those contributed by specific interactions among parameters. In this paper, we theoretically show that FAST analysis can be used to estimate partial variances contributed by both main effects and interaction effects of model parameters using different sampling approaches (i.e., traditional search-curve based sampling, simple random sampling and random balance design sampling). We also analytically calculate the potential errors and biases in the estimation of partial variances. Hypothesis tests are constructed to reduce the effect of sampling errors on the estimation of partial variances. Our results show that compared to simple random sampling and random balance design sampling, sensitivity indices (ratios of partial variances to variance of a specific model output) estimated by search-curve based sampling generally have higher precision but larger underestimations. Compared to simple random sampling, random balance design sampling generally provides higher estimation precision for partial variances contributed by the main effects of parameters. The theoretical derivation of partial variances contributed by higher-order interactions and the calculation of their corresponding estimation errors in different sampling schemes can help us better understand the FAST method and provide a fundamental basis for FAST applications and further improvements. PMID:24143037

Understanding and comparisons of different sampling approaches for the Fourier Amplitudes Sensitivity Test (FAST).

PubMed

Xu, Chonggang; Gertner, George

2011-01-01

Fourier Amplitude Sensitivity Test (FAST) is one of the most popular uncertainty and sensitivity analysis techniques. It uses a periodic sampling approach and a Fourier transformation to decompose the variance of a model output into partial variances contributed by different model parameters. Until now, the FAST analysis is mainly confined to the estimation of partial variances contributed by the main effects of model parameters, but does not allow for those contributed by specific interactions among parameters. In this paper, we theoretically show that FAST analysis can be used to estimate partial variances contributed by both main effects and interaction effects of model parameters using different sampling approaches (i.e., traditional search-curve based sampling, simple random sampling and random balance design sampling). We also analytically calculate the potential errors and biases in the estimation of partial variances. Hypothesis tests are constructed to reduce the effect of sampling errors on the estimation of partial variances. Our results show that compared to simple random sampling and random balance design sampling, sensitivity indices (ratios of partial variances to variance of a specific model output) estimated by search-curve based sampling generally have higher precision but larger underestimations. Compared to simple random sampling, random balance design sampling generally provides higher estimation precision for partial variances contributed by the main effects of parameters. The theoretical derivation of partial variances contributed by higher-order interactions and the calculation of their corresponding estimation errors in different sampling schemes can help us better understand the FAST method and provide a fundamental basis for FAST applications and further improvements.

Antagonistic and synergistic interactions among predators.

PubMed

Huxel, Gary R

2007-08-01

The structure and dynamics of food webs are largely dependent upon interactions among consumers and their resources. However, interspecific interactions such as intraguild predation and interference competition can also play a significant role in the stability of communities. The role of antagonistic/synergistic interactions among predators has been largely ignored in food web theory. These mechanisms influence predation rates, which is one of the key factors regulating food web structure and dynamics, thus ignoring them can potentially limit understanding of food webs. Using nonlinear models, it is shown that critical aspects of multiple predator food web dynamics are antagonistic/synergistic interactions among predators. The influence of antagonistic/synergistic interactions on coexistence of predators depended largely upon the parameter set used and the degree of feeding niche differentiation. In all cases when there was no effect of antagonism or synergism (a ( ij )=1.00), the predators coexisted. Using the stable parameter set, coexistence occurred across the range of antagonism/synergism used. However, using the chaotic parameter strong antagonism resulted in the extinction of one or both species, while strong synergism tended to coexistence. Whereas using the limit cycle parameter set, coexistence was strongly dependent on the degree of feeding niche overlap. Additionally increasing the degree of feeding specialization of the predators on the two prey species increased the amount of parameter space in which coexistence of the two predators occurred. Bifurcation analyses supported the general pattern of increased stability when the predator interaction was synergistic and decreased stability when it was antagonistic. Thus, synergistic interactions should be more common than antagonistic interactions in ecological systems.

Tensor Fermi liquid parameters in nuclear matter from chiral effective field theory

NASA Astrophysics Data System (ADS)

Holt, J. W.; Kaiser, N.; Whitehead, T. R.

2018-05-01

We compute from chiral two- and three-body forces the complete quasiparticle interaction in symmetric nuclear matter up to twice nuclear matter saturation density. Second-order perturbative contributions that account for Pauli blocking and medium polarization are included, allowing for an exploration of the full set of central and noncentral operator structures permitted by symmetries and the long-wavelength limit. At the Hartree-Fock level, the next-to-next-to-leading order three-nucleon force contributes to all noncentral interactions, and their strengths grow approximately linearly with the nucleon density up to that of saturated nuclear matter. Three-body forces are shown to enhance the already strong proton-neutron effective tensor interaction, while the corresponding like-particle tensor force remains small. We also find a large isovector cross-vector interaction but small center-of-mass tensor interactions in the isoscalar and isovector channels. The convergence of the expansion of the noncentral quasiparticle interaction in Landau parameters and Legendre polynomials is studied in detail.

The Influence of Interactions and Minor Mergers on the Structure of Galactic Disks

NASA Astrophysics Data System (ADS)

Schwarzkopf, U.

1999-07-01

A detailed statistical study is presented focused on the effects of minor mergers and tidal interactions on the radial and vertical structure of galactic disks. The fundamental disk parameters of 112 highly-inclined/edge-on galaxies are studied in optical and in near-infrared passbands. This sample consists of two subsamples of 65 non-interacting and 47 interacting/merging galaxies. Additionally, 41 of these galaxies were observed in the near-infrared. A 3-dimensional disk modelling and -fitting procedure was applied in order to analyze and to compare characteristic disk parameters of all sample galaxies. Furthermore, n-body simulations were performed in order to study the influence of minor mergers in the mass range Msat/Mdisk 0.1 on the vertical structure of disks in spiral galaxies. In particular, the dependence of vertical, tidally-triggered disk thickening on initial disk parameters is investigated. The quantitative results of both simulation and observation are compared in order to find similarities in the distribution of characteristic disk parameters.

Prognostic relevance of the interaction between short-term, metronome-paced heart rate variability, and inflammation: results from the population-based CARLA cohort study.

PubMed

Medenwald, Daniel; Swenne, Cees A; Loppnow, Harald; Kors, Jan A; Pietzner, Diana; Tiller, Daniel; Thiery, Joachim; Nuding, Sebastian; Greiser, Karin H; Haerting, Johannes; Werdan, Karl; Kluttig, Alexander

2017-01-01

To determine the interaction between HRV and inflammation and their association with cardiovascular/all-cause mortality in the general population. Subjects of the CARLA study (n = 1671; 778 women, 893 men, 45-83 years of age) were observed for an average follow-up period of 8.8 years (226 deaths, 70 cardiovascular deaths). Heart rate variability parameters were calculated from 5-min segments of 20-min resting electrocardiograms. High-sensitivity C-reactive protein (hsCRP), interleukin-6 (IL-6), and soluble tumour necrosis factor-alpha receptor type 1 (sTNF-R1) were measured as inflammation parameters. The HRV parameters determined included the standard deviation of normal-to-normal intervals (SDNN), the root-mean-square of successive normal-interval differences (RMSSD), the low- and high-frequency (HF) power, the ratio of both, and non-linear parameters [Poincaré plot (SD1, SD2, SD1/SD2), short-term detrended fluctuation analysis]. We estimated hazard ratios by using covariate-adjusted Cox regression for cardiovascular and all-cause mortality incorporating an interaction term of HRV/inflammation parameters. Relative excess risk due to interactions (RERIs) were computed. We found an interaction effect of sTNF-R1 with SDNN (RERI: 0.5; 99% confidence interval (CI): 0.1-1.0), and a weaker effect with RMSSD (RERI: 0.4; 99% CI: 0.0-0.9) and HF (RERI: 0.4; 99% CI: 0.0-0.9) with respect to cardiovascular mortality on an additive scale after covariate adjustment. Neither IL-6 nor hsCRP showed a significant interaction with the HRV parameters. A change in TNF-α levels or the autonomic nervous system influences the mortality risk through both entities simultaneously. Thus, TNF-α and HRV need to be considered when predicating mortality. Published on behalf of the European Society of Cardiology. All rights reserved. © The Author 2016. For permissions please email: journals.permissions@oup.com.

Ultrasonic studies of intermolecular interactions in binary mixtures of 4-methoxy benzoin with various solvents: Excess molar functions of ultrasonic parameters at different concentrations and in different solvents.

PubMed

Thanuja, B; Nithya, G; Kanagam, Charles C

2012-11-01

Density (ρ), ultrasonic velocity (U), for the binary mixtures of 4-methoxy benzoin (4MB) with ethanol, chloroform, acetonitrile, benzene, and di-oxane were measured at 298K. The solute-solvent interactions and the effect of the polarity of the solvent on the type of intermolecular interactions are discussed here. From the above data, adiabatic compressibility (β), intermolecular free length (L(f)), acoustic impedance (Z), apparent molar volume (Ø), relative association (RA) have been calculated. Other useful parameters such as excess density, excess velocity and excess adiabatic compressibility have also been calculated. These parameters were used to study the nature and extent of intermolecular interactions between component molecules in the binary mixtures. Copyright © 2012 Elsevier B.V. All rights reserved.

Can nonstandard interactions jeopardize the hierarchy sensitivity of DUNE?

NASA Astrophysics Data System (ADS)

Deepthi, K. N.; Goswami, Srubabati; Nath, Newton

2017-10-01

We study the effect of nonstandard interactions (NSIs) on the propagation of neutrinos through the Earth's matter and how it affects the hierarchy sensitivity of the DUNE experiment. We emphasize the special case when the diagonal NSI parameter ɛe e=-1 , nullifying the standard matter effect. We show that if, in addition, C P violation is maximal then this gives rise to an exact intrinsic hierarchy degeneracy in the appearance channel, irrespective of the baseline and energy. Introduction of the off diagonal NSI parameter, ɛe τ, shifts the position of this degeneracy to a different ɛe e. Moreover the unknown magnitude and phases of the off diagonal NSI parameters can give rise to additional degeneracies. Overall, given the current model independent limits on NSI parameters, the hierarchy sensitivity of DUNE can get seriously impacted. However, a more precise knowledge of the NSI parameters, especially ɛe e, can give rise to an improved sensitivity. Alternatively, if a NSI exists in nature, and still DUNE shows hierarchy sensitivity, certain ranges of the NSI parameters can be excluded. Additionally, we briefly discuss the implications of ɛe e=-1 (in the Earth) on the Mikheyev-Smirnov-Wolfenstein effect in the Sun.

Estimation of the solubility parameters of model plant surfaces and agrochemicals: a valuable tool for understanding plant surface interactions

PubMed Central

2012-01-01

Background Most aerial plant parts are covered with a hydrophobic lipid-rich cuticle, which is the interface between the plant organs and the surrounding environment. Plant surfaces may have a high degree of hydrophobicity because of the combined effects of surface chemistry and roughness. The physical and chemical complexity of the plant cuticle limits the development of models that explain its internal structure and interactions with surface-applied agrochemicals. In this article we introduce a thermodynamic method for estimating the solubilities of model plant surface constituents and relating them to the effects of agrochemicals. Results Following the van Krevelen and Hoftyzer method, we calculated the solubility parameters of three model plant species and eight compounds that differ in hydrophobicity and polarity. In addition, intact tissues were examined by scanning electron microscopy and the surface free energy, polarity, solubility parameter and work of adhesion of each were calculated from contact angle measurements of three liquids with different polarities. By comparing the affinities between plant surface constituents and agrochemicals derived from (a) theoretical calculations and (b) contact angle measurements we were able to distinguish the physical effect of surface roughness from the effect of the chemical nature of the epicuticular waxes. A solubility parameter model for plant surfaces is proposed on the basis of an increasing gradient from the cuticular surface towards the underlying cell wall. Conclusions The procedure enabled us to predict the interactions among agrochemicals, plant surfaces, and cuticular and cell wall components, and promises to be a useful tool for improving our understanding of biological surface interactions. PMID:23151272

Estimation of the solubility parameters of model plant surfaces and agrochemicals: a valuable tool for understanding plant surface interactions.

PubMed

Khayet, Mohamed; Fernández, Victoria

2012-11-14

Most aerial plant parts are covered with a hydrophobic lipid-rich cuticle, which is the interface between the plant organs and the surrounding environment. Plant surfaces may have a high degree of hydrophobicity because of the combined effects of surface chemistry and roughness. The physical and chemical complexity of the plant cuticle limits the development of models that explain its internal structure and interactions with surface-applied agrochemicals. In this article we introduce a thermodynamic method for estimating the solubilities of model plant surface constituents and relating them to the effects of agrochemicals. Following the van Krevelen and Hoftyzer method, we calculated the solubility parameters of three model plant species and eight compounds that differ in hydrophobicity and polarity. In addition, intact tissues were examined by scanning electron microscopy and the surface free energy, polarity, solubility parameter and work of adhesion of each were calculated from contact angle measurements of three liquids with different polarities. By comparing the affinities between plant surface constituents and agrochemicals derived from (a) theoretical calculations and (b) contact angle measurements we were able to distinguish the physical effect of surface roughness from the effect of the chemical nature of the epicuticular waxes. A solubility parameter model for plant surfaces is proposed on the basis of an increasing gradient from the cuticular surface towards the underlying cell wall. The procedure enabled us to predict the interactions among agrochemicals, plant surfaces, and cuticular and cell wall components, and promises to be a useful tool for improving our understanding of biological surface interactions.

A comparative study of gamma-ray interaction and absorption in some building materials using Zeff-toolkit

NASA Astrophysics Data System (ADS)

Mann, Kulwinder Singh; Heer, Manmohan Singh; Rani, Asha

2016-07-01

The gamma-ray shielding behaviour of a material can be investigated by determining its various interaction and energy-absorption parameters (such as mass attenuation coefficients, mass energy absorption coefficients, and corresponding effective atomic numbers and electron densities). Literature review indicates that the effective atomic number (Zeff) has been used as extensive parameters for evaluating the effects and defect in the chosen materials caused by ionising radiations (X-rays and gamma-rays). A computer program (Zeff-toolkit) has been designed for obtaining the mean value of effective atomic number calculated by three different methods. A good agreement between the results obtained with Zeff-toolkit, Auto_Zeff software and experimentally measured values of Zeff has been observed. Although the Zeff-toolkit is capable of computing effective atomic numbers for both photon interaction (Zeff,PI) and energy absorption (Zeff,En) using three methods in each. No similar computer program is available in the literature which simultaneously computes these parameters simultaneously. The computed parameters have been compared and correlated in the wide energy range (0.001-20 MeV) for 10 commonly used building materials. The prominent variations in these parameters with gamma-ray photon energy have been observed due to the dominance of various absorption and scattering phenomena. The mean values of two effective atomic numbers (Zeff,PI and Zeff,En) are equivalent at energies below 0.002 MeV and above 0.3 MeV, indicating the dominance of gamma-ray absorption (photoelectric and pair production) over scattering (Compton) at these energies. Conversely in the energy range 0.002-0.3 MeV, the Compton scattering of gamma-rays dominates the absorption. From the 10 chosen samples of building materials, 2 soils showed better shielding behaviour than did other 8 materials.

Value of Computed Tomographic Perfusion-Based Patient Selection for Intra-Arterial Acute Ischemic Stroke Treatment.

PubMed

Borst, Jordi; Berkhemer, Olvert A; Roos, Yvo B W E M; van Bavel, Ed; van Zwam, Wim H; van Oostenbrugge, Robert J; van Walderveen, Marianne A A; Lingsma, Hester F; van der Lugt, Aad; Dippel, Diederik W J; Yoo, Albert J; Marquering, Henk A; Majoie, Charles B L M

2015-12-01

The utility of computed tomographic perfusion (CTP)-based patient selection for intra-arterial treatment of acute ischemic stroke has not been proven in randomized trials and requires further study in a cohort that was not selected based on CTP. Our objective was to study the relationship between CTP-derived parameters and outcome and treatment effect in patients with acute ischemic stroke because of a proximal intracranial arterial occlusion. We included 175 patients who underwent CTP in the Multicenter Randomized Clinical Trial of Endovascular Treatment for Acute Ischemic Stroke in The Netherlands (MR CLEAN). Association of CTP-derived parameters (ischemic-core volume, penumbra volume, and percentage ischemic core) with outcome was estimated with multivariable ordinal logistic regression as an adjusted odds ratio for a shift in the direction of a better outcome on the modified Rankin Scale. Interaction between CTP-derived parameters and treatment effect was determined using multivariable ordinal logistic regression. Interaction with treatment effect was also tested for mismatch (core <70 mL; penumbra core >1.2; penumbra core >10 mL). The adjusted odds ratio for improved functional outcome for ischemic core, percentage ischemic core, and penumbra were 0.79 per 10 mL (95% confidence interval: 0.71-0.89; P<0.001), 0.82 per 10% (95% confidence interval: 0.66-0.90; P=0.002), and 0.97 per 10 mL (96% confidence interval: 0.92-1.01; P=0.15), respectively. No significant interaction between any of the CTP-derived parameters and treatment effect was observed. We observed no significant interaction between mismatch and treatment effect. CTP seems useful for predicting functional outcome, but cannot reliably identify patients who will not benefit from intra-arterial therapy. © 2015 American Heart Association, Inc.

Epistasis interaction of QTL effects as a genetic parameter influencing estimation of the genetic additive effect.

PubMed

Bocianowski, Jan

2013-03-01

Epistasis, an additive-by-additive interaction between quantitative trait loci, has been defined as a deviation from the sum of independent effects of individual genes. Epistasis between QTLs assayed in populations segregating for an entire genome has been found at a frequency close to that expected by chance alone. Recently, epistatic effects have been considered by many researchers as important for complex traits. In order to understand the genetic control of complex traits, it is necessary to clarify additive-by-additive interactions among genes. Herein we compare estimates of a parameter connected with the additive gene action calculated on the basis of two models: a model excluding epistasis and a model with additive-by-additive interaction effects. In this paper two data sets were analysed: 1) 150 barley doubled haploid lines derived from the Steptoe × Morex cross, and 2) 145 DH lines of barley obtained from the Harrington × TR306 cross. The results showed that in cases when the effect of epistasis was different from zero, the coefficient of determination was larger for the model with epistasis than for the one excluding epistasis. These results indicate that epistatic interaction plays an important role in controlling the expression of complex traits.

Scaling of plasma-body interactions in low Earth orbit

NASA Astrophysics Data System (ADS)

Capon, C. J.; Brown, M.; Boyce, R. R.

2017-04-01

This paper derives the generalised set of dimensionless parameters that scale the interaction of an unmagnetised multi-species plasma with an arbitrarily charged object - the application in this work being to the interaction of the ionosphere with Low Earth Orbiting (LEO) objects. We find that a plasma with K ion species can be described by 1 + 4 K independent dimensionless parameters. These parameters govern the deflection and coupling of ion species k , the relative electrical shielding of the body, electron energy, and scaling of temporal effects. The general shielding length λ ϕ is introduced, which reduces to the Debye length in the high-temperature (weakly coupled) limit. The ability of the scaling parameters to predict the self-similar transformations of single and multi-species plasma interactions is demonstrated numerically using pdFOAM, an electrostatic Particle-in-Cell—Direct Simulation Monte Carlo code. The presented scaling relationships represent a significant generalisation of past work, linking low and high voltage plasma phenomena. Further, the presented parameters capture the scaling of multi-species plasmas with multiply charged ions, demonstrating previously unreported scaling relationship transformations. The implications of this work are not limited to LEO plasma-body interactions but apply to processes governed by the Vlasov-Maxwell equations and represent a framework upon which to incorporate the scaling of additional phenomena, e.g., magnetism and charging.

Performance of buried pipe installation : technical summary.

DOT National Transportation Integrated Search

2010-05-01

The goal of this research project was to determine the effects of geometric and mechanical parameters characterizing the soil-structure interaction developed in a buried pipe installation. Parameters such as pipe ring stiff ness, bedding thickness, t...

Assessment of the Thermodynamic Properties of DL-p-Mentha-1,8-diene, 4-Isopropyl-1-Methylcyclohexene (DL-limonene) by Inverse Gas Chromatography (IGC).

PubMed

Farshchi, Negin; Abbasian, Ali; Larijani, Kambiz

2018-05-10

Limonene is a colorless liquid hydrocarbon and had been investigated as a plasticizer for many plastics. Prediction of solubility between different materials is an advantage in many ways, one of the most convenient ways to know the compatibility of materials is to determine the degree of solubility of them in each other. The concept of "solubility parameter" can help practitioners in this way.In this study, inverse gas chromatography (IGC) method at infinite dilution was used for determination of the thermodynamic properties of DL-p-mentha-1,8-diene, 4-Isopropyl-1-methylcyclohexene (DL-limonene). The interaction between DL-limonene and 13 solvents were examined in the temperature range of 63-123°C through the assessment of the thermodynamic sorption parameters, the parameters of mixing at infinite dilution, the weight fraction activity coefficient and the Flory-Huggins interaction parameters. Additionally, the solubility parameter for DL-limonene and the temperature dependence of these parameters was investigated as well.Results show that there is a temperature dependence in solubility parameter, which increases by decreasing temperature. However, there were no specific dependence between interaction parameters and temperature, but chemical structure appeared to have a significant effect on them as well as on the type and strength of intermolecular interactions between DL-limonene and investigated solvents. The solubility parameter δ2 of DL-limonene determined to be 19.20 (J/cm3)0.5 at 25°C.

Interaction between Rashba and Zeeman effects in a quantum well channel.

PubMed

Choi, Won Young; Kwon, Jae Hyun; Chang, Joonyeon; Han, Suk Hee; Koo, Hyun Cheol

2014-05-01

The applied field induced Zeeman effect interferes with Rashba effect in a quantum well system. The angle dependence of Shubnikov-de Haas oscillation shows that the in-plane term of the applied field changes the intrinsic Rashba induced spin splitting. The total effective spin-orbit interaction parameter is determined by the vector sum of the Rashba field and the applied field.

Color separation in forensic image processing using interactive differential evolution.

PubMed

Mushtaq, Harris; Rahnamayan, Shahryar; Siddiqi, Areeb

2015-01-01

Color separation is an image processing technique that has often been used in forensic applications to differentiate among variant colors and to remove unwanted image interference. This process can reveal important information such as covered text or fingerprints in forensic investigation procedures. However, several limitations prevent users from selecting the appropriate parameters pertaining to the desired and undesired colors. This study proposes the hybridization of an interactive differential evolution (IDE) and a color separation technique that no longer requires users to guess required control parameters. The IDE algorithm optimizes these parameters in an interactive manner by utilizing human visual judgment to uncover desired objects. A comprehensive experimental verification has been conducted on various sample test images, including heavily obscured texts, texts with subtle color variations, and fingerprint smudges. The advantage of IDE is apparent as it effectively optimizes the color separation parameters at a level indiscernible to the naked eyes. © 2014 American Academy of Forensic Sciences.

Photon Interaction Parameters for Some Borate Glasses

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

Mann, Nisha; Kaur, Updesh; Singh, Tejbir

2010-11-06

Some photon interaction parameters of dosimetric interest such as mass attenuation coefficients, effective atomic number, electron density and KERMA relative to air have been computed in the wide energy range from 1 keV to 100 GeV for some borate glasses viz. barium-lead borate, bismuth-borate, calcium-strontium borate, lead borate and zinc-borate glass. It has been observed that lead borate glass and barium-lead borate glass have maximum values of mass attenuation coefficient, effective atomic number and KERMA relative to air. Hence, these borate glasses are suitable as gamma ray shielding material, packing of radioactive sources etc.

Superconducting state parameters of monovalent and polyvalent amorphous

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

Sonvane, Y. A., E-mail: yas@ashd.svnit.ac.in; Patel, H. P., E-mail: patel.harshal2@gmail.com; Thakor, P. B., E-mail: pbthakor@rediffmail.com

2015-08-28

In the present study deals, we have calculated superconducting state parameter (SSP) like electron-phonon coupling strength λ, coulomb pseudo potential, μ*, transition temperature Tc, isotope effect exponent α and effective interaction strength N{sub 0}V of monovalent (Li), divalent (Zn), trivalent (In) and tetravalent (Pb) amorphous. To carry out this work we have used our newly constructed model pseudo potential to describe electron ion interaction along with three different local field correction functions like Hartree, Taylor and Sarkar et al. The present results are found in good agreement with other available theoretical as well as experimental data.

Superconducting state parameters of monovalent and polyvalent amorphous

NASA Astrophysics Data System (ADS)

Sonvane, Y. A.; Patel, H. P.; Thakor, P. B.

2015-08-01

In the present study deals, we have calculated superconducting state parameter (SSP) like electron-phonon coupling strength λ, coulomb pseudo potential, μ*, transition temperature Tc, isotope effect exponent α and effective interaction strength N0V of monovalent (Li), divalent (Zn), trivalent (In) and tetravalent (Pb) amorphous. To carry out this work we have used our newly constructed model pseudo potential to describe electron ion interaction along with three different local field correction functions like Hartree, Taylor and Sarkar et al. The present results are found in good agreement with other available theoretical as well as experimental data.

The effect of the electron–phonon interaction on reverse currents of GaAs-based p–n junctions

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

Zhukov, A. V., E-mail: ZhukovAndreyV@mail.ru

An algorithm for calculating the parameters of the electron–phonon interaction of the EL2 trap has been developed and implemented based on the example of GaAs. Using the obtained parameters, the field dependences of the probabilities of nonradiative transitions from the trap and reverse currents of the GaAs p–n junctions are calculated, which are in good agreement with the experimental data.

Engineering Low Dimensional Materials with van der Waals Interaction

NASA Astrophysics Data System (ADS)

Jin, Chenhao

Two-dimensional van der Waals materials grow into a hot and big field in condensed matter physics in the past decade. One particularly intriguing thing is the possibility to stack different layers together as one wish, like playing a Lego game, which can create artificial structures that do not exist in nature. These new structures can enable rich new physics from interlayer interaction: The interaction is strong, because in low-dimension materials electrons are exposed to the interface and are susceptible to other layers; and the screening of interaction is less prominent. The consequence is rich, not only from the extensive list of two-dimensional materials available nowadays, but also from the freedom of interlayer configuration, such as displacement and twist angle, which creates a gigantic parameter space to play with. On the other hand, however, the huge parameter space sometimes can make it challenging to describe consistently with a single picture. For example, the large periodicity or even incommensurability in van der Waals systems creates difficulty in using periodic boundary condition. Worse still, the huge superlattice unit cell and overwhelming computational efforts involved to some extent prevent the establishment of a simple physical picture to understand the evolution of system properties in the parameter space of interlayer configuration. In the first part of the dissertation, I will focus on classification of the huge parameter space into subspaces, and introduce suitable theoretical approaches for each subspace. For each approach, I will discuss its validity, limitation, general solution, as well as a specific example of application demonstrating how one can obtain the most important effects of interlayer interaction with little computation efforts. Combining all the approaches introduced will provide an analytic solution to cover majority of the parameter space, which will be very helpful in understanding the intuitive physical picture behind the consequence of interlayer interaction, as well as its systematic evolution in the parameter space. Experimentally, optical spectroscopy is a powerful tool to investigate properties of materials, owing to its insusceptibility to extrinsic effects like defects, capability of obtaining information in large spectral range, and the sensitivity to not only density of states but also wavefunction through transition matrix element. Following the classification of interlayer interaction, I will present optical spectroscopy studies of three van der Waals systems: Two-dimensional few layer phosphorene, one-dimensional double-walled nanotubes, and two-dimensional graphene/hexagonal Boron Nitride heterostructure. Experimental results exhibit rich and distinctively different effects of interlayer interaction in these systems, as a demonstration of the colorful physics from the large parameter space. On the other hand, all these cases can be well-described by the methods developed in the theory part, which explains experimental results quantitatively through only a few parameters each with clear physical meaning. Therefore, the formalism given here, both from theoretical and experimental aspects, offers a generally useful methodology to study, understand and design van der Waals materials for both fascinating physics and novel applications.

Fisher information of a single qubit interacts with a spin-qubit in the presence of a magnetic field

NASA Astrophysics Data System (ADS)

Metwally, N.

2018-06-01

In this contribution, quantum Fisher information is utilized to estimate the parameters of a central qubit interacting with a single-spin qubit. The effect of the longitudinal, transverse and the rotating strengths of the magnetic field on the estimation degree is discussed. It is shown that, in the resonance case, the number of peaks and consequently the size of the estimation regions increase as the rotating magnetic field strength increases. The precision estimation of the central qubit parameters depends on the initial state settings of the central and the spin-qubit, either encode classical or quantum information. It is displayed that, the upper bounds of the estimation degree are large if the two qubits encode classical information. In the non-resonance case, the estimation degree depends on which of the longitudinal/transverse strength is larger. The coupling constant between the central qubit and the spin-qubit has a different effect on the estimation degree of the weight and the phase parameters, where the possibility of estimating the weight parameter decreases as the coupling constant increases, while it increases for the phase parameter. For large number of spin-particles, namely, we have a spin-bath particles, the upper bounds of the Fisher information with respect to the weight parameter of the central qubit decreases as the number of the spin particle increases. As the interaction time increases, the upper bounds appear at different initial values of the weight parameter.

Effective Fragment Potential Method for H-Bonding: How To Obtain Parameters for Nonrigid Fragments.

PubMed

Dubinets, Nikita; Slipchenko, Lyudmila V

2017-07-20

Accuracy of the effective fragment potential (EFP) method was explored for describing intermolecular interaction energies in three dimers with strong H-bonded interactions, formic acid, formamide, and formamidine dimers, which are a part of HBC6 database of noncovalent interactions. Monomer geometries in these dimers change significantly as a function of intermonomer separation. Several EFP schemes were considered, in which fragment parameters were prepared for a fragment in its gas-phase geometry or recomputed for each unique fragment geometry. Additionally, a scheme in which gas-phase fragment parameters are shifted according to relaxed fragment geometries is introduced and tested. EFP data are compared against the coupled cluster with single, double, and perturbative triple excitations (CCSD(T)) method in a complete basis set (CBS) and the symmetry adapted perturbation theory (SAPT). All considered EFP schemes provide a good agreement with CCSD(T)/CBS for binding energies at equilibrium separations, with discrepancies not exceeding 2 kcal/mol. However, only the schemes that utilize relaxed fragment geometries remain qualitatively correct at shorter than equilibrium intermolecular distances. The EFP scheme with shifted parameters behaves quantitatively similar to the scheme in which parameters are recomputed for each monomer geometry and thus is recommended as a computationally efficient approach for large-scale EFP simulations of flexible systems.

Two-Player 2 × 2 Quantum Game in Spin System

NASA Astrophysics Data System (ADS)

Huang, Zhiming; Situ, Haozhen

2017-05-01

In this work, we study the payoffs of quantum Samaritan's dilemma played with the thermal entangled state of XXZ spin model in the presence of Dzyaloshinskii-Moriya (DM) interaction. We discuss the effect of anisotropy parameter, strength of DM interaction and temperature on quantum Samaritan's dilemma. It is shown that although increasing DM interaction and anisotropy parameter generate entanglement, players payoffs are not simply decided by entanglement and depend on other game components such as strategy and payoff measurement. In general, Entanglement and Alice's payoff evolve to a relatively stable value with anisotropy parameter, and develop to a fixed value with DM interaction strength, while Bob's payoff changes in the reverse direction. It is noted that the augment of Alice's payoff compensates for the loss of Bob's payoff. For different strategies, payoffs have different changes with temperature. Our results and discussions can be analogously generalized to other 2 × 2 quantum static games in various spin models.

Modeling the cooperative and competitive contagions in online social networks

NASA Astrophysics Data System (ADS)

Zhuang, Yun-Bei; Chen, J. J.; Li, Zhi-hong

2017-10-01

The wide adoption of social media has increased the interaction among different pieces of information, and this interaction includes cooperation and competition for our finite attention. While previous research focus on fully competition, this paper extends the interaction to be both "cooperation" and "competition", by employing an IS1S2 R model. To explore how two different pieces of information interact with each other, the IS1S2 R model splits the agents into four parts-(Ignorant-Spreader I-Spreader II-Stifler), based on SIR epidemic spreading model. Using real data from Weibo.com, a social network site similar to Twitter, we find some parameters, like decaying rates, can both influence the cooperative diffusion process and the competitive process, while other parameters, like infectious rates only have influence on the competitive diffusion process. Besides, the parameters' effect are more significant in the competitive diffusion than in the cooperative diffusion.

Spinning boson stars and Kerr black holes with scalar hair: The effect of self-interactions

NASA Astrophysics Data System (ADS)

Herdeiro, Carlos A. R.; Radu, Eugen; Rúnarsson, Helgi F.

2016-05-01

Self-interacting boson stars (BSs) have been shown to alleviate the astrophysically low maximal mass of their nonself-interacting counterparts. We report some physical features of spinning self-interacting BSs, namely their compactness, the occurrence of ergo-regions and the scalar field profiles, for a sample of values of the coupling parameter. The results agree with the general picture that these BSs are comparatively less compact than the nonself-interacting ones. We also briefly discuss the effect of scalar self-interactions on the properties of Kerr black holes with scalar hair.

Interaction of Low Frequency External Electric Fields and Pancreatic β-Cell: A Mathematical Modeling Approach to Identify the Influence of Excitation Parameters.

PubMed

Farashi, Sajjad; Sasanpour, Pezhman; Rafii-Tabar, Hashem

2018-05-24

Purpose-Although the effect of electromagnetic fields on biological systems has attracted attraction in recent years, there has not been any conclusive result concerning the effects of interaction and the underlying mechanisms involved. Besides the complexity of biological systems, the parameters of the applied electromagnetic field have not been estimated in most of the experiments. Material and Method-In this study, we have used computational approach in order to find the excitation parameters of an external electric field which produces sensible effects in the function of insulin secretory machinery, whose failure triggers the diabetes disease. A mathematical model of the human β-cell has been used and the effects of external electric fields with different amplitudes, frequencies and wave shapes have been studied. Results-The results from our simulations show that the external electric field can influence the membrane electrical activity and perhaps the insulin secretion when its amplitude exceeds a threshold value. Furthermore, our simulations reveal that different waveforms have distinct effects on the β-cell membrane electrical activity and the characteristic features of the excitation like frequency would change the interaction mechanism. Conclusion-The results could help the researchers to investigate the possible role of the environmental electromagnetic fields on the promotion of diabetes disease.

Exploring Interactive and Dynamic Simulations Using a Computer Algebra System in an Advanced Placement Chemistry Course

ERIC Educational Resources Information Center

Matsumoto, Paul S.

2014-01-01

The article describes the use of Mathematica, a computer algebra system (CAS), in a high school chemistry course. Mathematica was used to generate a graph, where a slider controls the value of parameter(s) in the equation; thus, students can visualize the effect of the parameter(s) on the behavior of the system. Also, Mathematica can show the…

Majorana Kramers pairs in Rashba double nanowires with interactions and disorder

NASA Astrophysics Data System (ADS)

Thakurathi, Manisha; Simon, Pascal; Mandal, Ipsita; Klinovaja, Jelena; Loss, Daniel

2018-01-01

We analyze the effects of electron-electron interactions and disorder on a Rashba double-nanowire setup coupled to an s -wave superconductor, which has been recently proposed as a versatile platform to generate Kramers pairs of Majorana bound states in the absence of magnetic fields. We identify the regime of parameters for which these Kramers pairs are stable against interaction and disorder effects. We use bosonization, perturbative renormalization group, and replica techniques to derive the flow equations for various parameters of the model and evaluate the corresponding phase diagram with topological and disorder-dominated phases. We confirm aforementioned results by considering a more microscopic approach, which starts from the tunneling Hamiltonian between the three-dimensional s -wave superconductor and the nanowires. We find again that the interaction drives the system into the topological phase and, as the strength of the source term coming from the tunneling Hamiltonian increases, strong electron-electron interactions are required to reach the topological phase.

Post-mating interactions and their effects on fitness of female and male Echinothrips americanus (Thysanoptera: Thripidae), a new insect pest in China.

PubMed

Li, Xiao-Wei; Jiang, Hong-Xue; Zhang, Xiao-Chen; Shelton, Anthony M; Feng, Ji-Nian

2014-01-01

Post-mating, sexual interactions of opposite sexes differ considerably in different organisms. Post-mating interactions such as re-mating behavior and male harassment can affect the fitness of both sexes. Echinothrips americanus is a new insect pest in Mainland China, and little is known about its post-mating interactions. In this study, we observed re-mating frequency and male harassment frequency and their effects on fitness parameters and offspring sex ratios of E. americanus females. Furthermore, we tested the impact of mating and post-mating interactions on fitness parameters of males. Our results revealed that the re-mating frequency in female adults was extremely low during a 30-day period. However, post-mating interactions between females and males, consisting mainly of male harassment and female resistance, did occur and significantly reduced female longevity and fecundity. Interestingly, increased access to males did not affect the ratio of female offspring. For males, mating dramatically reduced their longevity. However, post-mating interactions with females had no effects on the longevity of mated males. These results enrich our basic knowledge about female and male mating and post-mating behaviors in this species and provide important information about factors that may influence population regulation of this important pest species.

Heat transfer modelling of pulsed laser-tissue interaction

NASA Astrophysics Data System (ADS)

Urzova, J.; Jelinek, M.

2018-03-01

Due to their attributes, the application of medical lasers is on the rise in numerous medical fields. From a biomedical point of view, the most interesting applications are the thermal interactions and the photoablative interactions, which effectively remove tissue without excessive heat damage to the remaining tissue. The objective of this work is to create a theoretical model for heat transfer in the tissue following its interaction with the laser beam to predict heat transfer during medical laser surgery procedures. The dimensions of the ablated crater (shape and ablation depth) were determined by computed tomography imaging. COMSOL Multiphysics software was used for temperature modelling. The parameters of tissue and blood, such as density, specific heat capacity, thermal conductivity and diffusivity, were calculated from the chemical ratio. The parameters of laser-tissue interaction, such as absorption and reflection coefficients, were experimentally determined. The parameters of the laser beam were power density, repetition frequency, pulse length and spot dimensions. Heat spreading after laser interaction with tissue was captured using a Fluke thermal camera. The model was verified for adipose tissue, skeletal muscle tissue and heart muscle tissue.

Verbal collision avoidance messages during simulated driving: perceived urgency, alerting effectiveness and annoyance.

PubMed

Baldwin, Carryl L

2011-04-01

Matching the perceived urgency of an alert with the relative hazard level of the situation is critical for effective alarm response. Two experiments describe the impact of acoustic and semantic parameters on ratings of perceived urgency, annoyance and alerting effectiveness and on alarm response speed. Within a simulated driving context, participants rated and responded to collision avoidance system (CAS) messages spoken by a female or male voice (experiments 1 and 2, respectively). Results indicated greater perceived urgency and faster alarm response times as intensity increased from -2 dB signal to noise (S/N) ratio to +10 dB S/N, although annoyance ratings increased as well. CAS semantic content interacted with alarm intensity, indicating that at lower intensity levels participants paid more attention to the semantic content. Results indicate that both acoustic and semantic parameters independently and interactively impact CAS alert perceptions in divided attention conditions and this work can inform auditory alarm design for effective hazard matching. Matching the perceived urgency of an alert with the relative hazard level of the situation is critical for effective alarm response. Here, both acoustic and semantic parameters independently and interactively impacted CAS alert perceptions in divided attention conditions. This work can inform auditory alarm design for effective hazard matching. STATEMENT OF RELEVANCE: Results indicate that both acoustic parameters and semantic content can be used to design collision warnings with a range of urgency levels. Further, these results indicate that verbal warnings tailored to a specific hazard situation may improve hazard-matching capabilities without substantial trade-offs in perceived annoyance.

Postprandial glycaemic response: how is it influenced by characteristics of cereal products?

PubMed

Meynier, Alexandra; Goux, Aurélie; Atkinson, Fiona; Brack, Olivier; Vinoy, Sophie

2015-06-28

Cereal products exhibit a wide range of glycaemic indexes (GI), but the interaction of their different nutrients and starch digestibility on blood glucose response is not well known. The objective of this analysis was to evaluate how cereal product characteristics can contribute to GI and insulinaemic index and to the parameters describing glycaemic or insulinaemic responses (incremental AUC, maximum concentration and Δpeak). Moreover, interactions between the different cereal products characteristics and glycaemic response parameters were assessed for the first time. Relationships between the cereal products characteristics and the glycaemic response were analysed by partial least square regressions, followed by modelling. A database including 190 cereal products tested by the usual GI methodology was used. The model on glycaemic responses showed that slowly digestible starch (SDS), rapidly digestible starch (RDS) and fat and fibres, and several interactions involving them, significantly explain GI by 53 % and Δpeak of glycaemia by 60 %. Fat and fibres had important contributions to glycaemic response at low and medium SDS contents in cereal products, but this effect disappears at high SDS levels. We showed also for the first time that glycaemic response parameters are dependent on interactions between starch digestibility (interaction between SDS and RDS) and nutritional composition (interaction between fat and fibres) of the cereal products. We also demonstrated the non-linear effect of fat and fibres (significant effect of their quadratic terms). Hence, optimising both the formula and the manufacturing process of cereal products can improve glucose metabolism, which is recognised as strongly influential on human health.

Vertical Phase Segregation Induced by Dipolar Interactions in Planar Polymer Brushes

DOE PAGES

Mahalik, Jyoti P.; Sumpter, Bobby G.; Kumar, Rajeev

2016-09-13

In this paper, we present a generalized theory for studying structural properties of a planar dipolar polymer brush immersed in a polar solvent. We show that an explicit treatment of the dipolar interactions yields a macroscopic concentration dependent effective “chi” (the Flory–Huggins-like interaction) parameter. Furthermore, it is shown that the concentration dependent chi parameter promotes phase segregation in polymer solutions and brushes so that the polymer-poor phase consists of a finite/nonzero polymer concentration. Such a destabilization of the homogeneous phase by the dipolar interactions appears as vertical phase segregation in a planar polymer brush. In a vertically phase segregated polymermore » brush, the polymer-rich phase near the grafting surface coexists with the polymer-poor phase at the other end. Predictions of the theory are directly compared with prior reported experimental results for dipolar polymers in polar solvents. Excellent agreements with the experimental results are found, hinting that the dipolar interactions play a significant role in vertical phase segregation of planar polymer brushes. We also compare our field theoretical approach with the two-state and other models invoking ad hoc concentration dependence of the chi parameter. Interplay between the short-ranged excluded volume interactions and long-ranged dipolar interactions is shown to play an important role in affecting the vertical phase separation. Finally, effects of mismatch between the dipole moments of the polymer segments and the solvent molecules are investigated in detail.« less

Space Shuttle third flight /STS-3/ entry RCS analysis. [Reaction Control System

NASA Technical Reports Server (NTRS)

Scallion, W. I.; Compton, H. R.; Suit, W. T.; Powell, R. W.; Blackstock, T. A.; Bates, B. L.

1983-01-01

Flight data obtained from three Space Transportation System orbiter entries (STS-1, 2, and 3) are processed and analyzed to determine the roll interactions caused by the firing of the entry reaction control system (RCS). Comparisons between the flight-derived parameters and the predicted derivatives without interaction effects are made. The flight-derived RCS Plume flow-field interaction effects are independently deduced by direct integration of the incremental changes in the wing upper surface pressures induced by RCS side thruster firings. The separately obtained interaction effects are compared to the predicted values and the differences are discussed.

Random Blume-Emery-Griffiths model on the Bethe lattice

NASA Astrophysics Data System (ADS)

Albayrak, Erhan

2015-12-01

The random phase transitions of the Blume-Emery-Griffiths (BEG) model for the spin-1 system are investigated on the Bethe lattice and the phase diagrams of the model are obtained. The biquadratic exchange interaction (K) is turned on, i.e. the BEG model, with probability p either attractively (K > 0) or repulsively (K < 0) and turned off, which leads to the BC model, with the probability (1 - p) throughout the Bethe lattice. By taking the bilinear exchange interaction parameter J as a scaling parameter, the effects of the competitions between the reduced crystal fields (D / J), reduced biquadratic exchange interaction parameter (K / J) and the reduced temperature (kT / J) for given values of the probability when the coordination number is q=4, i.e. on a square lattice, are studied in detail.

Interaction potential between a helium atom and metal surfaces

NASA Technical Reports Server (NTRS)

Takada, Y.; Kohn, W.

1985-01-01

By employing an S-matrix theory for evanescent waves, the repulsive potential between a helium atom and corrugated metal surfaces has been calculated. P-wave interactions and intra-atomic correlation effects were found to be very important. The corrugation part of the interaction potential is much weaker than predicted by the effective-medium theory. Application to Cu, Ni, and Ag (110) surfaces gives good agreement with experiment without any adjustable parameters.

Identification of dominant interactions between climatic seasonality, catchment characteristics and agricultural activities on Budyko-type equation parameter estimation

NASA Astrophysics Data System (ADS)

Xing, Wanqiu; Wang, Weiguang; Shao, Quanxi; Yong, Bin

2018-01-01

Quantifying precipitation (P) partition into evapotranspiration (E) and runoff (Q) is of great importance for global and regional water availability assessment. Budyko framework serves as a powerful tool to make simple and transparent estimation for the partition, using a single parameter, to characterize the shape of the Budyko curve for a "specific basin", where the single parameter reflects the overall effect by not only climatic seasonality, catchment characteristics (e.g., soil, topography and vegetation) but also agricultural activities (e.g., cultivation and irrigation). At the regional scale, these influencing factors are interconnected, and the interactions between them can also affect the single parameter of Budyko-type equations' estimating. Here we employ the multivariate adaptive regression splines (MARS) model to estimate the Budyko curve shape parameter (n in the Choudhury's equation, one form of the Budyko framework) of the selected 96 catchments across China using a data set of long-term averages for climatic seasonality, catchment characteristics and agricultural activities. Results show average storm depth (ASD), vegetation coverage (M), and seasonality index of precipitation (SI) are three statistically significant factors affecting the Budyko parameter. More importantly, four pairs of interactions are recognized by the MARS model as: The interaction between CA (percentage of cultivated land area to total catchment area) and ASD shows that the cultivation can weaken the reducing effect of high ASD (>46.78 mm) on the Budyko parameter estimating. Drought (represented by the value of Palmer drought severity index < -0.74) and uneven distribution of annual rainfall (represented by the value of coefficient of variation of precipitation > 0.23) tend to enhance the Budyko parameter reduction by large SI (>0.797). Low vegetation coverage (34.56%) is likely to intensify the rising effect on evapotranspiration ratio by IA (percentage of irrigation area to total catchment area). The Budyko n values estimated by the MARS model reproduce the calculated ones by the observation well for the selected 96 catchments (with R = 0.817, MAE = 4.09). Compared to the multiple stepwise regression model estimating the parameter n taken the influencing factors as independent inputs, the MARS model enhances the capability of the Budyko framework for assessing water availability at regional scale using readily available data.

Effects of clouds on the Earth radiation budget; Seasonal and inter-annual patterns

NASA Technical Reports Server (NTRS)

Dhuria, Harbans L.

1992-01-01

Seasonal and regional variations of clouds and their effects on the climatological parameters were studied. The climatological parameters surface temperature, solar insulation, short-wave absorbed, long wave emitted, and net radiation were considered. The data of climatological parameters consisted of about 20 parameters of Earth radiation budget and clouds of 2070 target areas which covered the globe. It consisted of daily and monthly averages of each parameter for each target area for the period, Jun. 1979 - May 1980. Cloud forcing and black body temperature at the top of the atmosphere were calculated. Interactions of clouds, cloud forcing, black body temperature, and the climatological parameters were investigated and analyzed.

Interactive effects of cadmium and acid rain on photosynthetic light reaction in soybean seedlings.

PubMed

Sun, Zhaoguo; Wang, Lihong; Chen, Minmin; Wang, Lei; Liang, Chanjuan; Zhou, Qing; Huang, Xiaohua

2012-05-01

Interactive effects of cadmium (Cd(2+)) and acid rain on photosynthetic light reaction in soybean seedlings were investigated under hydroponic conditions. Single treatment with Cd(2+) or acid rain and the combined treatment decreased the content of chlorophyll, Hill reaction rate, the activity of Mg(2+)-ATPase, maximal photochemical efficiency and maximal quantum yield, increased initial fluorescence and damaged the chloroplast structure in soybean seedlings. In the combined treatment, the change in the photosynthetic parameters and the damage of chloroplast structure were stronger than those of any single pollution. Meanwhile, Cd(2+) and acid rain had the interactive effects on the test indices in soybean seedlings. The results indicated that the combined pollution of Cd(2+) and acid rain aggravated the toxic effect of the single pollution of Cd(2+) or acid rain on the photosynthetic parameters due to the serious damage to the chloroplast structure. Copyright © 2011 Elsevier Inc. All rights reserved.

Short-Term Exposure of Mytilus coruscus to Decreased pH and Salinity Change Impacts Immune Parameters of Their Haemocytes.

PubMed

Wu, Fangli; Xie, Zhe; Lan, Yawen; Dupont, Sam; Sun, Meng; Cui, Shuaikang; Huang, Xizhi; Huang, Wei; Liu, Liping; Hu, Menghong; Lu, Weiqun; Wang, Youji

2018-01-01

With the release of large amounts of CO 2 , ocean acidification is intensifying and affecting aquatic organisms. In addition, salinity also plays an important role for marine organisms and fluctuates greatly in estuarine and coastal ecosystem, where ocean acidification frequently occurs. In present study, flow cytometry was used to investigate immune parameters of haemocytes in the thick shell mussel Mytilus coruscus exposed to different salinities (15, 25, and 35‰) and two pH levels (7.3 and 8.1). A 7-day in vivo and a 5-h in vitro experiments were performed. In both experiments, low pH had significant effects on all tested immune parameters. When exposed to decreased pH, total haemocyte count (THC), phagocytosis (Pha), esterase (Est), and lysosomal content (Lyso) were significantly decreased, whereas haemocyte mortality (HM) and reactive oxygen species (ROS) were increased. High salinity had no significant effects on the immune parameters of haemocytes as compared with low salinity. However, an interaction between pH and salinity was observed in both experiments for most tested haemocyte parameters. This study showed that high salinity, low salinity and low pH have negative and interactive effects on haemocytes of mussels. As a consequence, it can be expected that the combined effect of low pH and changed salinity will have more severe effects on mussel health than predicted by single exposure.

A Bayesian-based multilevel factorial analysis method for analyzing parameter uncertainty of hydrological model

NASA Astrophysics Data System (ADS)

Liu, Y. R.; Li, Y. P.; Huang, G. H.; Zhang, J. L.; Fan, Y. R.

2017-10-01

In this study, a Bayesian-based multilevel factorial analysis (BMFA) method is developed to assess parameter uncertainties and their effects on hydrological model responses. In BMFA, Differential Evolution Adaptive Metropolis (DREAM) algorithm is employed to approximate the posterior distributions of model parameters with Bayesian inference; factorial analysis (FA) technique is used for measuring the specific variations of hydrological responses in terms of posterior distributions to investigate the individual and interactive effects of parameters on model outputs. BMFA is then applied to a case study of the Jinghe River watershed in the Loess Plateau of China to display its validity and applicability. The uncertainties of four sensitive parameters, including soil conservation service runoff curve number to moisture condition II (CN2), soil hydraulic conductivity (SOL_K), plant available water capacity (SOL_AWC), and soil depth (SOL_Z), are investigated. Results reveal that (i) CN2 has positive effect on peak flow, implying that the concentrated rainfall during rainy season can cause infiltration-excess surface flow, which is an considerable contributor to peak flow in this watershed; (ii) SOL_K has positive effect on average flow, implying that the widely distributed cambisols can lead to medium percolation capacity; (iii) the interaction between SOL_AWC and SOL_Z has noticeable effect on the peak flow and their effects are dependent upon each other, which discloses that soil depth can significant influence the processes of plant uptake of soil water in this watershed. Based on the above findings, the significant parameters and the relationship among uncertain parameters can be specified, such that hydrological model's capability for simulating/predicting water resources of the Jinghe River watershed can be improved.

Nonstandard neutrino interactions in supernovae

NASA Astrophysics Data System (ADS)

Stapleford, Charles J.; Väänänen, Daavid J.; Kneller, James P.; McLaughlin, Gail C.; Shapiro, Brandon T.

2016-11-01

Nonstandard interactions (NSI) of neutrinos with matter can significantly alter neutrino flavor evolution in supernovae with the potential to impact explosion dynamics, nucleosynthesis, and the neutrinos signal. In this paper, we explore, both numerically and analytically, the landscape of neutrino flavor transformation effects in supernovae due to NSI and find a new, heretofore unseen transformation processes can occur. These new transformations can take place with NSI strengths well below current experimental limits. Within a broad swath of NSI parameter space, we observe symmetric and standard matter-neutrino resonances for supernovae neutrinos, a transformation effect previously only seen in compact object merger scenarios; in another region of the parameter space we find the NSI can induce neutrino collective effects in scenarios where none would appear with only the standard case of neutrino oscillation physics; and in a third region the NSI can lead to the disappearance of the high density Mikheyev-Smirnov-Wolfenstein resonance. Using a variety of analytical tools, we are able to describe quantitatively the numerical results allowing us to partition the NSI parameter according to the transformation processes observed. Our results indicate nonstandard interactions of supernova neutrinos provide a sensitive probe of beyond the Standard Model physics complementary to present and future terrestrial experiments.

Vortex/boundary layer interactions

NASA Technical Reports Server (NTRS)

Cutler, A. D.; Bradshaw, P.

1989-01-01

Detailed and high quality measurements with hot-wires and pressure probes are presented for two different interactions between a vortex pair with common flow down and a turbulent boundary layer. The interactions studied have larger values of the vortex circulation parameter than those studied previously. The results indicate that the boundary layer under the vortex pair is thinned by lateral divergence and that boundary layer fluid is entrained into the vortex. The effect of the interaction on the vortex core (other than the inviscid effect of the image vortices behind the surface) is small.

Assessing uncertainty and sensitivity of model parameterizations and parameters in WRF affecting simulated surface fluxes and land-atmosphere coupling over the Amazon region

NASA Astrophysics Data System (ADS)

Qian, Y.; Wang, C.; Huang, M.; Berg, L. K.; Duan, Q.; Feng, Z.; Shrivastava, M. B.; Shin, H. H.; Hong, S. Y.

2016-12-01

This study aims to quantify the relative importance and uncertainties of different physical processes and parameters in affecting simulated surface fluxes and land-atmosphere coupling strength over the Amazon region. We used two-legged coupling metrics, which include both terrestrial (soil moisture to surface fluxes) and atmospheric (surface fluxes to atmospheric state or precipitation) legs, to diagnose the land-atmosphere interaction and coupling strength. Observations made using the Department of Energy's Atmospheric Radiation Measurement (ARM) Mobile Facility during the GoAmazon field campaign together with satellite and reanalysis data are used to evaluate model performance. To quantify the uncertainty in physical parameterizations, we performed a 120 member ensemble of simulations with the WRF model using a stratified experimental design including 6 cloud microphysics, 3 convection, 6 PBL and surface layer, and 3 land surface schemes. A multiple-way analysis of variance approach is used to quantitatively analyze the inter- and intra-group (scheme) means and variances. To quantify parameter sensitivity, we conducted an additional 256 WRF simulations in which an efficient sampling algorithm is used to explore the multiple-dimensional parameter space. Three uncertainty quantification approaches are applied for sensitivity analysis (SA) of multiple variables of interest to 20 selected parameters in YSU PBL and MM5 surface layer schemes. Results show consistent parameter sensitivity across different SA methods. We found that 5 out of 20 parameters contribute more than 90% total variance, and first-order effects dominate comparing to the interaction effects. Results of this uncertainty quantification study serve as guidance for better understanding the roles of different physical processes in land-atmosphere interactions, quantifying model uncertainties from various sources such as physical processes, parameters and structural errors, and providing insights for improving the model physics parameterizations.

Effects of data structure on the estimation of covariance functions to describe genotype by environment interactions in a reaction norm model

PubMed Central

Calus, Mario PL; Bijma, Piter; Veerkamp, Roel F

2004-01-01

Covariance functions have been proposed to predict breeding values and genetic (co)variances as a function of phenotypic within herd-year averages (environmental parameters) to include genotype by environment interaction. The objective of this paper was to investigate the influence of definition of environmental parameters and non-random use of sires on expected breeding values and estimated genetic variances across environments. Breeding values were simulated as a linear function of simulated herd effects. The definition of environmental parameters hardly influenced the results. In situations with random use of sires, estimated genetic correlations between the trait expressed in different environments were 0.93, 0.93 and 0.97 while simulated at 0.89 and estimated genetic variances deviated up to 30% from the simulated values. Non random use of sires, poor genetic connectedness and small herd size had a large impact on the estimated covariance functions, expected breeding values and calculated environmental parameters. Estimated genetic correlations between a trait expressed in different environments were biased upwards and breeding values were more biased when genetic connectedness became poorer and herd composition more diverse. The best possible solution at this stage is to use environmental parameters combining large numbers of animals per herd, while losing some information on genotype by environment interaction in the data. PMID:15339629

Gene-environment studies: any advantage over environmental studies?

PubMed

Bermejo, Justo Lorenzo; Hemminki, Kari

2007-07-01

Gene-environment studies have been motivated by the likely existence of prevalent low-risk genes that interact with common environmental exposures. The present study assessed the statistical advantage of the simultaneous consideration of genes and environment to investigate the effect of environmental risk factors on disease. In particular, we contemplated the possibility that several genes modulate the environmental effect. Environmental exposures, genotypes and phenotypes were simulated according to a wide range of parameter settings. Different models of gene-gene-environment interaction were considered. For each parameter combination, we estimated the probability of detecting the main environmental effect, the power to identify the gene-environment interaction and the frequency of environmentally affected individuals at which environmental and gene-environment studies show the same statistical power. The proportion of cases in the population attributable to the modeled risk factors was also calculated. Our data indicate that environmental exposures with weak effects may account for a significant proportion of the population prevalence of the disease. A general result was that, if the environmental effect was restricted to rare genotypes, the power to detect the gene-environment interaction was higher than the power to identify the main environmental effect. In other words, when few individuals contribute to the overall environmental effect, individual contributions are large and result in easily identifiable gene-environment interactions. Moreover, when multiple genes interacted with the environment, the statistical benefit of gene-environment studies was limited to those studies that included major contributors to the gene-environment interaction. The advantage of gene-environment over plain environmental studies also depends on the inheritance mode of the involved genes, on the study design and, to some extend, on the disease prevalence.

Enthalpic parameters of interaction between diglycylglycine and polyatomic alcohols in aqueous solutions

NASA Astrophysics Data System (ADS)

Mezhevoi, I. N.; Badelin, V. G.

2015-12-01

Integral enthalpies of solution Δsol H m of diglycylglycine in aqueous solutions of glycerol, ethylene glycol, and 1,2-propylene glycol are measured via solution calorimetry. The experimental data are used to calculate the standard enthalpies of solution (Δsol H°) and transfer (Δtr H°) of the tripeptide from water to aqueous solutions of polyatomic alcohols. The enthalpic pairwise coefficients h xy of interactions between the tripeptide and polyatomic alcohol molecules are calculated using the McMillan-Mayer solution theory and are found to have positive values. The findings are discussed using the theory of estimating various types of interactions in ternary systems and the effect the structural features of interacting biomolecules have on the thermochemical parameters of diglycylglycine dissolution.

The Structure of a Hypersonic Air Flow near a Plane Surface at Various Intensities of Magnetogasdynamic Interaction

NASA Astrophysics Data System (ADS)

Fomichev, V. P.; Yadrenkin, M. A.

2017-12-01

This Letter presents a systematization of the effects observed in experiments on the magnetogasdynamic interaction near the surface of a plate in a high-speed gas flow. Ranges of the hydromagnetic-interaction parameter determining various levels of influence on the shock-wave structure of the flow are established.

GENERAL: Entanglement sudden death induced by the Dzialoshinskii-Moriya interaction

NASA Astrophysics Data System (ADS)

Zeng, Hong-Fang; Shao, Bin; Yang, Lin-Guang; Li, Jian; Zou, Jian

2009-08-01

In this paper, we study the entanglement dynamics of two-spin Heisenberg XYZ model with the Dzialoshinskii-Moriya (DM) interaction. The system is initially prepared in the Werner state. The effects of purity of the initial state and DM coupling parameter on the evolution of entanglement are investigated. The necessary and sufficient condition for the appearance of the entanglement sudden death (ESD) phenomenon has been deduced. The result shows that the ESD always occurs if the initial state is sufficiently impure for the given coupling parameter or the DM interaction is sufficiently strong for the given initial state. Moreover, the critical values of them are calculated.

Needle parameter variation of mature black spruce families displaying a genetic x environment interaction in growth

Treesearch

John E. Major; Kurt H. Johnsen; Debby C. Barsi; Moira Campbell

2013-01-01

To examine soil moisture stress, light, and genetic effects on individual needle parameters and investigate total needle contribution to productivity, individual and total needle parameter variation were quantified in 32-year-old black spruce from five crown positions from four full-sib families studied previously for drought tolerance and differential productivity on...

Metamaterials: supra-classical dynamic homogenization

NASA Astrophysics Data System (ADS)

Caleap, Mihai; Drinkwater, Bruce W.

2015-12-01

Metamaterials are artificial composite structures designed for controlling waves or fields, and exhibit interaction phenomena that are unexpected on the basis of their chemical constituents. These phenomena are encoded in effective material parameters that can be electronic, magnetic, acoustic, or elastic, and must adequately represent the wave interaction behavior in the composite within desired frequency ranges. In some cases—for example, the low frequency regime—there exist various efficient ways by which effective material parameters for wave propagation in metamaterials may be found. However, the general problem of predicting frequency-dependent dynamic effective constants has remained unsolved. Here, we obtain novel mathematical expressions for the effective parameters of two-dimensional metamaterial systems valid at higher frequencies and wavelengths than previously possible. By way of an example, random configurations of cylindrical scatterers are considered, in various physical contexts: sound waves in a compressible fluid, anti-plane elastic waves, and electromagnetic waves. Our results point towards a paradigm shift in our understanding of these effective properties, and metamaterial designs with functionalities beyond the low-frequency regime are now open for innovation. Dedicated with gratitude to the memory of Prof Yves C Angel.

Effects of behavioral patterns and network topology structures on Parrondo’s paradox

PubMed Central

Ye, Ye; Cheong, Kang Hao; Cen, Yu-wan; Xie, Neng-gang

2016-01-01

A multi-agent Parrondo’s model based on complex networks is used in the current study. For Parrondo’s game A, the individual interaction can be categorized into five types of behavioral patterns: the Matthew effect, harmony, cooperation, poor-competition-rich-cooperation and a random mode. The parameter space of Parrondo’s paradox pertaining to each behavioral pattern, and the gradual change of the parameter space from a two-dimensional lattice to a random network and from a random network to a scale-free network was analyzed. The simulation results suggest that the size of the region of the parameter space that elicits Parrondo’s paradox is positively correlated with the heterogeneity of the degree distribution of the network. For two distinct sets of probability parameters, the microcosmic reasons underlying the occurrence of the paradox under the scale-free network are elaborated. Common interaction mechanisms of the asymmetric structure of game B, behavioral patterns and network topology are also revealed. PMID:27845430

Effects of behavioral patterns and network topology structures on Parrondo’s paradox

NASA Astrophysics Data System (ADS)

Ye, Ye; Cheong, Kang Hao; Cen, Yu-Wan; Xie, Neng-Gang

2016-11-01

A multi-agent Parrondo’s model based on complex networks is used in the current study. For Parrondo’s game A, the individual interaction can be categorized into five types of behavioral patterns: the Matthew effect, harmony, cooperation, poor-competition-rich-cooperation and a random mode. The parameter space of Parrondo’s paradox pertaining to each behavioral pattern, and the gradual change of the parameter space from a two-dimensional lattice to a random network and from a random network to a scale-free network was analyzed. The simulation results suggest that the size of the region of the parameter space that elicits Parrondo’s paradox is positively correlated with the heterogeneity of the degree distribution of the network. For two distinct sets of probability parameters, the microcosmic reasons underlying the occurrence of the paradox under the scale-free network are elaborated. Common interaction mechanisms of the asymmetric structure of game B, behavioral patterns and network topology are also revealed.

Higgs-portal assisted Higgs inflation with a sizeable tensor-to-scalar ratio

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

Kim, Jinsu; Ko, Pyungwon; Park, Wan-Il, E-mail: kimjinsu@kias.re.kr, E-mail: pko@kias.re.kr, E-mail: Wanil.Park@uv.es

We show that the Higgs portal interactions involving extra dark Higgs field can save generically the original Higgs inflation of the standard model (SM) from the problem of a deep non-SM vacuum in the SM Higgs potential. Specifically, we show that such interactions disconnect the top quark pole mass from inflationary observables and allow multi-dimensional parameter space to save the Higgs inflation, thanks to the additional parameters (the dark Higgs boson mass m {sub φ}, the mixing angle α between the SM Higgs H and dark Higgs Φ, and the mixed quartic coupling) affecting RG-running of the Higgs quartic coupling.more » The effect of Higgs portal interactions may lead to a larger tensor-to-scalar ratio, 0.08 ∼< r ∼< 0.1, by adjusting relevant parameters in wide ranges of α and m {sub φ}, some region of which can be probed at future colliders. Performing a numerical analysis we find an allowed region of parameters, matching the latest Planck data.« less

Role of the noise on the transient dynamics of an ecosystem of interacting species

NASA Astrophysics Data System (ADS)

Spagnolo, B.; La Barbera, A.

2002-11-01

We analyze the transient dynamics of an ecosystem described by generalized Lotka-Volterra equations in the presence of a multiplicative noise and a random interaction parameter between the species. We consider specifically three cases: (i) two competing species, (ii) three interacting species (one predator-two preys), (iii) n-interacting species. The interaction parameter in case (i) is a stochastic process which obeys a stochastic differential equation. We find noise delayed extinction of one of two species, which is akin to the noise-enhanced stability phenomenon. Other two noise-induced effects found are temporal oscillations and spatial patterns of the two competing species. In case (ii) the noise induces correlated spatial patterns of the predator and of the two preys concentrations. Finally, in case (iii) we find the asymptotic behavior of the time average of the ith population when the ecosystem is composed of a great number of interacting species.

Modelling non-linear effects of dark energy

NASA Astrophysics Data System (ADS)

Bose, Benjamin; Baldi, Marco; Pourtsidou, Alkistis

2018-04-01

We investigate the capabilities of perturbation theory in capturing non-linear effects of dark energy. We test constant and evolving w models, as well as models involving momentum exchange between dark energy and dark matter. Specifically, we compare perturbative predictions at 1-loop level against N-body results for four non-standard equations of state as well as varying degrees of momentum exchange between dark energy and dark matter. The interaction is modelled phenomenologically using a time dependent drag term in the Euler equation. We make comparisons at the level of the matter power spectrum and the redshift space monopole and quadrupole. The multipoles are modelled using the Taruya, Nishimichi and Saito (TNS) redshift space spectrum. We find perturbation theory does very well in capturing non-linear effects coming from dark sector interaction. We isolate and quantify the 1-loop contribution coming from the interaction and from the non-standard equation of state. We find the interaction parameter ξ amplifies scale dependent signatures in the range of scales considered. Non-standard equations of state also give scale dependent signatures within this same regime. In redshift space the match with N-body is improved at smaller scales by the addition of the TNS free parameter σv. To quantify the importance of modelling the interaction, we create mock data sets for varying values of ξ using perturbation theory. This data is given errors typical of Stage IV surveys. We then perform a likelihood analysis using the first two multipoles on these sets and a ξ=0 modelling, ignoring the interaction. We find the fiducial growth parameter f is generally recovered even for very large values of ξ both at z=0.5 and z=1. The ξ=0 modelling is most biased in its estimation of f for the phantom w=‑1.1 case.

Constraints on non-Standard Model Higgs boson interactions in an effective Lagrangian using differential cross sections measured in the H→γγ decay channel at \\(\\sqrt{s} = 8\\) TeV with the ATLAS detector

DOE PAGES

Aad, G.

2015-12-02

The strength and tensor structure of the Higgs boson's interactions are investigated using an effective Lagrangian, which introduces additional CP-even and CP-odd interactions that lead to changes in the kinematic properties of the Higgs boson and associated jet spectra with respect to the Standard Model. We found that the parameters of the effective Lagrangian are probed using a fit to five differential cross sections previously measured by the ATLAS experiment in the H→γγ decay channel with an integrated luminosity of 20.3 fb -1 at \\(\\sqrt{s} = 8\\) TeV. In order to perform a simultaneous fit to the five distributions, themore » statistical correlations between them are determined by re-analysing the H→γγ candidate events in the proton–proton collision data. No significant deviations from the Standard Model predictions are observed and limits on the effective Lagrangian parameters are derived. These statistical correlations are made publicly available to allow for future analysis of theories with non-Standard Model interactions.« less

Constraints on non-Standard Model Higgs boson interactions in an effective Lagrangian using differential cross sections measured in the H→γγ decay channel at \\(\\sqrt{s} = 8\\) TeV with the ATLAS detector

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

Aad, G.

The strength and tensor structure of the Higgs boson's interactions are investigated using an effective Lagrangian, which introduces additional CP-even and CP-odd interactions that lead to changes in the kinematic properties of the Higgs boson and associated jet spectra with respect to the Standard Model. We found that the parameters of the effective Lagrangian are probed using a fit to five differential cross sections previously measured by the ATLAS experiment in the H→γγ decay channel with an integrated luminosity of 20.3 fb -1 at \\(\\sqrt{s} = 8\\) TeV. In order to perform a simultaneous fit to the five distributions, themore » statistical correlations between them are determined by re-analysing the H→γγ candidate events in the proton–proton collision data. No significant deviations from the Standard Model predictions are observed and limits on the effective Lagrangian parameters are derived. These statistical correlations are made publicly available to allow for future analysis of theories with non-Standard Model interactions.« less

Magnetization plateaus and ground-state phase diagrams of the S=1 Ising model on the Shastry Sutherland lattice

NASA Astrophysics Data System (ADS)

Deviren, Seyma Akkaya

2017-02-01

In this research, we have investigated the magnetic properties of the spin-1 Ising model on the Shastry Sutherland lattice with the crystal field interaction by using the effective-field theory with correlations. The effects of the applied field on the magnetization are examined in detail in order to obtain the magnetization plateaus, thus different types of magnetization plateaus, such as 1/4, 1/3, 1/2, 3/5, 2/3 and 7/9 of the saturation, are obtained for strong enough magnetic fields (h). Magnetization plateaus exhibit single, triple, quintuplet and sextuple forms according to the interaction parameters, hence the magnetization plateaus originate from the competition between the crystal field (D) and exchange interaction parameters (J, J‧). The ground-state phase diagrams of the system are presented in three varied planes, namely (h/J, J‧/J), (h/J, D/J) and (D/J, J‧/J) planes. These phase diagrams display the Néel (N), collinear (C) and ferromagnetic (F) phases for certain values of the model parameters. The obtained results are in good agreement with some theoretical and experimental studies.

A global sensitivity analysis approach for morphogenesis models.

PubMed

Boas, Sonja E M; Navarro Jimenez, Maria I; Merks, Roeland M H; Blom, Joke G

2015-11-21

Morphogenesis is a developmental process in which cells organize into shapes and patterns. Complex, non-linear and multi-factorial models with images as output are commonly used to study morphogenesis. It is difficult to understand the relation between the uncertainty in the input and the output of such 'black-box' models, giving rise to the need for sensitivity analysis tools. In this paper, we introduce a workflow for a global sensitivity analysis approach to study the impact of single parameters and the interactions between them on the output of morphogenesis models. To demonstrate the workflow, we used a published, well-studied model of vascular morphogenesis. The parameters of this cellular Potts model (CPM) represent cell properties and behaviors that drive the mechanisms of angiogenic sprouting. The global sensitivity analysis correctly identified the dominant parameters in the model, consistent with previous studies. Additionally, the analysis provided information on the relative impact of single parameters and of interactions between them. This is very relevant because interactions of parameters impede the experimental verification of the predicted effect of single parameters. The parameter interactions, although of low impact, provided also new insights in the mechanisms of in silico sprouting. Finally, the analysis indicated that the model could be reduced by one parameter. We propose global sensitivity analysis as an alternative approach to study the mechanisms of morphogenesis. Comparison of the ranking of the impact of the model parameters to knowledge derived from experimental data and from manipulation experiments can help to falsify models and to find the operand mechanisms in morphogenesis. The workflow is applicable to all 'black-box' models, including high-throughput in vitro models in which output measures are affected by a set of experimental perturbations.

Effect of spin-orbit and on-site Coulomb interactions on the electronic structure and lattice dynamics of uranium monocarbide

NASA Astrophysics Data System (ADS)

Wdowik, U. D.; Piekarz, P.; Legut, D.; Jagło, G.

2016-08-01

Uranium monocarbide, a potential fuel material for the generation IV reactors, is investigated within density functional theory. Its electronic, magnetic, elastic, and phonon properties are analyzed and discussed in terms of spin-orbit interaction and localized versus itinerant behavior of the 5 f electrons. The localization of the 5 f states is tuned by varying the local Coulomb repulsion interaction parameter. We demonstrate that the theoretical electronic structure, elastic constants, phonon dispersions, and their densities of states can reproduce accurately the results of x-ray photoemission and bremsstrahlung isochromat measurements as well as inelastic neutron scattering experiments only when the 5 f states experience the spin-orbit interaction and simultaneously remain partially localized. The partial localization of the 5 f electrons could be represented by a moderate value of the on-site Coulomb interaction parameter of about 2 eV. The results of the present studies indicate that both strong electron correlations and spin-orbit effects are crucial for realistic theoretical description of the ground-state properties of uranium carbide.

[Parameter sensitivity of simulating net primary productivity of Larix olgensis forest based on BIOME-BGC model].

PubMed

He, Li-hong; Wang, Hai-yan; Lei, Xiang-dong

2016-02-01

Model based on vegetation ecophysiological process contains many parameters, and reasonable parameter values will greatly improve simulation ability. Sensitivity analysis, as an important method to screen out the sensitive parameters, can comprehensively analyze how model parameters affect the simulation results. In this paper, we conducted parameter sensitivity analysis of BIOME-BGC model with a case study of simulating net primary productivity (NPP) of Larix olgensis forest in Wangqing, Jilin Province. First, with the contrastive analysis between field measurement data and the simulation results, we tested the BIOME-BGC model' s capability of simulating the NPP of L. olgensis forest. Then, Morris and EFAST sensitivity methods were used to screen the sensitive parameters that had strong influence on NPP. On this basis, we also quantitatively estimated the sensitivity of the screened parameters, and calculated the global, the first-order and the second-order sensitivity indices. The results showed that the BIOME-BGC model could well simulate the NPP of L. olgensis forest in the sample plot. The Morris sensitivity method provided a reliable parameter sensitivity analysis result under the condition of a relatively small sample size. The EFAST sensitivity method could quantitatively measure the impact of simulation result of a single parameter as well as the interaction between the parameters in BIOME-BGC model. The influential sensitive parameters for L. olgensis forest NPP were new stem carbon to new leaf carbon allocation and leaf carbon to nitrogen ratio, the effect of their interaction was significantly greater than the other parameter' teraction effect.

Two-dimensional explosion experiments examining the interaction between a blast wave and a sand hill

NASA Astrophysics Data System (ADS)

Sugiyama, Y.; Izumo, M.; Ando, H.; Matsuo, A.

2018-05-01

Two-dimensional explosion experiments were conducted to discuss the interaction between a blast wave and sand and show the mitigation effect of the sand on the blast wave. The explosive used was a detonating cord 1.0 m in length, which was initiated in a sand hill shaped like a triangular prism and whose cross section was an isosceles triangle with base angles of 30°. Sand-hill heights of 30 and 60 mm were used as parameters to discuss the effect of sand mass upon blast-wave strength. The interaction of the blast wave with the sand/air interface causes multiple peaks in the blast wave, which are induced by successive transmissions at the interface. The increase in the sand mass further mitigates the blast parameters of peak overpressure and positive impulse. The results of this experiment can be utilized to validate the numerical method of solving the problem of interaction between a compressible fluid and a particle layer.

Two-dimensional explosion experiments examining the interaction between a blast wave and a sand hill

NASA Astrophysics Data System (ADS)

Sugiyama, Y.; Izumo, M.; Ando, H.; Matsuo, A.

2018-02-01

Two-dimensional explosion experiments were conducted to discuss the interaction between a blast wave and sand and show the mitigation effect of the sand on the blast wave. The explosive used was a detonating cord 1.0 m in length, which was initiated in a sand hill shaped like a triangular prism and whose cross section was an isosceles triangle with base angles of 30°. Sand-hill heights of 30 and 60 mm were used as parameters to discuss the effect of sand mass upon blast-wave strength. The interaction of the blast wave with the sand/air interface causes multiple peaks in the blast wave, which are induced by successive transmissions at the interface. The increase in the sand mass further mitigates the blast parameters of peak overpressure and positive impulse. The results of this experiment can be utilized to validate the numerical method of solving the problem of interaction between a compressible fluid and a particle layer.

Space shuttle orbiter rear mounted reaction control system jet interaction study. [hypersonic wind tunnel tests

NASA Technical Reports Server (NTRS)

Rausch, J. R.

1977-01-01

The effect of interaction between the reaction control system (RCS) jets and the flow over the space shuttle orbiter in the atmosphere was investigated in the NASA Langley 31-inch continuous flow hypersonic tunnel at a nominal Mach number of 10.3 and in the AEDC continuous flow hypersonic tunnel B at a nominal Mach number of 6, using 0.01 and .0125 scale force models with aft RCS nozzles mounted both on the model and on the sting of the force model balance. The data show that RCS nozzle exit momentum ratio is the primary correlating parameter for effects where the plume impinges on an adjacent surface and mass flow ratio is the parameter when the plume interaction is primarily with the external stream. An analytic model of aft mounted RCS units was developed in which the total reaction control moments are the sum of thrust, impingement, interaction, and cross-coupling terms.

Steel bridge in interaction with modern slab track fastening systems under various vertical load levels

NASA Astrophysics Data System (ADS)

Stančík, Vojtěch; Ryjáček, Pavel; Vokáč, Miroslav

2017-09-01

In modern slab tracks the continuously welded rail (CWR) is coupled through the fastening system with the substructure. The resulting restriction of expansion movement causes significant rail stress increments, which in the case of extreme loading may cause rail failures. These interaction phenomenon effects are naturally higher on a bridge due to different deformation capabilities of the bridge and the CWR. The presented contribution aims at investigating the state of the art European direct fastening system that is suitable for application on steel bridges. Analysis involves experimental determination of its nonlinear longitudinal interaction parameters under various vertical loads and numerical validation. During experimental procedures a two and a half meter long laboratory sample equipped with four nodes of the Vossloh DFF 300 was tested. There have been checked both DFF 300 modifications using the skl 15 tension clamps and the low resistance skl B15 tension clamps. The effects of clamping force lowering on the interaction parameters have also been investigated. Results are discussed in the paper.

Make dark matter charged again

NASA Astrophysics Data System (ADS)

Agrawal, Prateek; Cyr-Racine, Francis-Yan; Randall, Lisa; Scholtz, Jakub

2017-05-01

We revisit constraints on dark matter that is charged under a U(1) gauge group in the dark sector, decoupled from Standard Model forces. We find that the strongest constraints in the literature are subject to a number of mitigating factors. For instance, the naive dark matter thermalization timescale in halos is corrected by saturation effects that slow down isotropization for modest ellipticities. The weakened bounds uncover interesting parameter space, making models with weak-scale charged dark matter viable, even with electromagnetic strength interaction. This also leads to the intriguing possibility that dark matter self-interactions within small dwarf galaxies are extremely large, a relatively unexplored regime in current simulations. Such strong interactions suppress heat transfer over scales larger than the dark matter mean free path, inducing a dynamical cutoff length scale above which the system appears to have only feeble interactions. These effects must be taken into account to assess the viability of darkly-charged dark matter. Future analyses and measurements should probe a promising region of parameter space for this model.

Generalized dark-bright vector soliton solution to the mixed coupled nonlinear Schrödinger equations.

PubMed

Manikandan, N; Radhakrishnan, R; Aravinthan, K

2014-08-01

We have constructed a dark-bright N-soliton solution with 4N+3 real parameters for the physically interesting system of mixed coupled nonlinear Schrödinger equations. Using this as well as an asymptotic analysis we have investigated the interaction between dark-bright vector solitons. Each colliding dark-bright one-soliton at the asymptotic limits includes more coupling parameters not only in the polarization vector but also in the amplitude part. Our present solution generalizes the dark-bright soliton in the literature with parametric constraints. By exploiting the role of such coupling parameters we are able to control certain interaction effects, namely beating, breathing, bouncing, attraction, jumping, etc., without affecting other soliton parameters. Particularly, the results of the interactions between the bound state dark-bright vector solitons reveal oscillations in their amplitudes under certain parametric choices. A similar kind of effect was also observed experimentally in the BECs. We have also characterized the solutions with complicated structure and nonobvious wrinkle to define polarization vector, envelope speed, envelope width, envelope amplitude, grayness, and complex modulation. It is interesting to identify that the polarization vector of the dark-bright one-soliton evolves on a spherical surface instead of a hyperboloid surface as in the bright-bright case of the mixed coupled nonlinear Schrödinger equations.

Nonlinear QED effects in X-ray emission of pulsars

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

Shakeri, Soroush; Haghighat, Mansour; Xue, She-Sheng, E-mail: Soroush.Shakeri@ph.iut.ac.ir, E-mail: m.haghighat@shirazu.ac.ir, E-mail: xue@icra.it

2017-10-01

In the presence of strong magnetic fields near pulsars, the QED vacuum becomes a birefringent medium due to nonlinear QED interactions. Here, we explore the impact of the effective photon-photon interaction on the polarization evolution of photons propagating through the magnetized QED vacuum of a pulsar. We solve the quantum Boltzmann equation within the framework of the Euler-Heisenberg Lagrangian to find the evolution of the Stokes parameters. We find that linearly polarized X-ray photons propagating outward in the magnetosphere of a rotating neutron star can acquire high values for the circular polarization parameter. Meanwhile, it is shown that the polarizationmore » characteristics of photons besides photon energy depend strongly on parameters of the pulsars such as magnetic field strength, inclination angle and rotational period. Our results are clear predictions of QED vacuum polarization effects in the near vicinity of magnetic stars which can be tested with the upcoming X-ray polarimetric observations.« less

Modeling strategic behavior in human-automation interaction - Why an 'aid' can (and should) go unused

NASA Technical Reports Server (NTRS)

Kirlik, Alex

1993-01-01

Task-offload aids (e.g., an autopilot, an 'intelligent' assistant) can be selectively engaged by the human operator to dynamically delegate tasks to automation. Introducing such aids eliminates some task demands but creates new ones associated with programming, engaging, and disengaging the aiding device via an interface. The burdens associated with managing automation can sometimes outweigh the potential benefits of automation to improved system performance. Aid design parameters and features of the overall multitask context combine to determine whether or not a task-offload aid will effectively support the operator. A modeling and sensitivity analysis approach is presented that identifies effective strategies for human-automation interaction as a function of three task-context parameters and three aid design parameters. The analysis and modeling approaches provide resources for predicting how a well-adapted operator will use a given task-offload aid, and for specifying aid design features that ensure that automation will provide effective operator support in a multitask environment.

Dissipative particle dynamics (DPD) simulations with fragment molecular orbital (FMO) based effective parameters for 1-Palmitoyl-2-oleoyl phosphatidyl choline (POPC) membrane

NASA Astrophysics Data System (ADS)

Doi, Hideo; Okuwaki, Koji; Mochizuki, Yuji; Ozawa, Taku; Yasuoka, Kenji

2017-09-01

In dissipative particle dynamics (DPD) simulations, it is necessary to use the so-called χ parameter set that express the effective interactions between particles. Recently, we have developed a new scheme to evaluate the χ parameters in a non-empirical way through a series of fragment molecular orbital (FMO) calculations. As a challenging test, we have performed the DPD simulations using the FMO-based χ parameters for a mixture of 1-Palmitoyl-2-oleoyl phosphatidyl choline (POPC) and water. The structures of both membrane and vesicle were formed successfully. The calculated structural parameters of membrane were in good agreement with experimental results.

Format and basic geometry of a perspective display of air traffic for the cockpit

NASA Technical Reports Server (NTRS)

Mcgreevy, Michael Wallace; Ellis, Stephen R.

1991-01-01

The design and implementation of a perspective display of air traffic for the cockpit is discussed. Parameters of the perspective are variable and interactive so that the appearance of the projected image can be widely varied. This approach makes allowances for exploration of perspective parameters and their interactions. The display was initially used to study the cases of horizontal maneuver biases found in experiments involving a plan view air traffic display format. Experiments to determine the effect of perspective geometry on spatial judgements have evolved from the display program. Several scaling techniques and other adjustments to the perspective are used to tailor the geometry for effective presentation of 3-D traffic situations.

Bayesian parameter estimation for chiral effective field theory

NASA Astrophysics Data System (ADS)

Wesolowski, Sarah; Furnstahl, Richard; Phillips, Daniel; Klco, Natalie

2016-09-01

The low-energy constants (LECs) of a chiral effective field theory (EFT) interaction in the two-body sector are fit to observable data using a Bayesian parameter estimation framework. By using Bayesian prior probability distributions (pdfs), we quantify relevant physical expectations such as LEC naturalness and include them in the parameter estimation procedure. The final result is a posterior pdf for the LECs, which can be used to propagate uncertainty resulting from the fit to data to the final observable predictions. The posterior pdf also allows an empirical test of operator redundancy and other features of the potential. We compare results of our framework with other fitting procedures, interpreting the underlying assumptions in Bayesian probabilistic language. We also compare results from fitting all partial waves of the interaction simultaneously to cross section data compared to fitting to extracted phase shifts, appropriately accounting for correlations in the data. Supported in part by the NSF and DOE.

Effects of Nongray Opacity on Radiatively Driven Wolf-Rayet Winds

NASA Astrophysics Data System (ADS)

Onifer, A. J.; Gayley, K. G.

2002-05-01

Wolf-Rayet winds are characterized by their large momentum fluxes, and simulations of radiation driving have been increasingly successful in modeling these winds. Simple analytic approaches that help understand the most critical processes for copious momentum deposition already exist in the effectively gray approximation, but these have not been extended to more realistic nongray opacities. With this in mind, we have developed a simplified theory for describing the interaction of the stellar flux with nongray wind opacity. We replace the detailed line list with a set of statistical parameters that are sensitive not only to the strength but also the wavelength distribution of lines, incorporating as a free parameter the rate of photon frequency redistribution. We label the resulting flux-weighted opacity the statistical Sobolev- Rosseland (SSR) mean, and explore how changing these various statistical parameters affects the flux/opacity interaction. We wish to acknowledge NSF grant AST-0098155

Terahertz radiation generation through the nonlinear interaction of Hermite and Laguerre Gaussian laser beams with collisional plasma: Field profile optimization

NASA Astrophysics Data System (ADS)

Safari, Samaneh; Niknam, Ali Reza; Jahangiri, Fazel; Jazi, Bahram

2018-04-01

The nonlinear interaction of Hermite-Gaussian and Laguerre-Gaussian (LG) laser beams with a collisional inhomogeneous plasma is studied, and the amplitude of the emitted terahertz (THz) electric field is evaluated. The effects of laser beams and plasma parameters, including the beams width, LG modes, the plasma collision frequency, and the amplitude of density ripple on the evolution of THz electric field amplitude, are examined. It is found that the shape of the generated THz radiation pattern can be tuned by the laser parameters. In addition, the optimum values of the effective parameters for achieving the maximum THz electric field amplitude are proposed. It is shown that a significant enhancement up to 4.5% can be obtained in our scheme, which is much greater than the maximum efficiency obtained for laser beams with the same profiles.

Distorted allotropes of bi-benzene: vibronic interactions and electronic excitations

NASA Astrophysics Data System (ADS)

Krasnenko, V.; Boltrushko, V.; Hizhnyakov, V.

2017-05-01

Bi-benzene - chemically bound two benzene molecules in stuck position is studied both analytically and numerically. There are several allotropes of bi-benzene having different geometry. The reason of the existence of sundry distorted structures is the pseudo-Jahn-Teller effect. The parameters of vibronic couplings causing distortions are found. For the calculation of these parameters both, the vibronic coupling of carbon atoms in different C6 rings and the vibronic coupling in the rings are considered. The contribution of the distortion of C6-planes to the latter coupling is also found. The energies of all the electronic states of π-electrons in all bi-benzene allotropes are determined by using the calculated vibronic interaction parameters.

Time evolution and dynamical phase transitions at a critical time in a system of one-dimensional bosons after a quantum quench.

PubMed

Mitra, Aditi

2012-12-28

A renormalization group approach is used to show that a one-dimensional system of bosons subject to a lattice quench exhibits a finite-time dynamical phase transition where an order parameter within a light cone increases as a nonanalytic function of time after a critical time. Such a transition is also found for a simultaneous lattice and interaction quench where the effective scaling dimension of the lattice becomes time dependent, crucially affecting the time evolution of the system. Explicit results are presented for the time evolution of the boson interaction parameter and the order parameter for the dynamical transition as well as for more general quenches.

Short-Term Exposure of Mytilus coruscus to Decreased pH and Salinity Change Impacts Immune Parameters of Their Haemocytes

PubMed Central

Wu, Fangli; Xie, Zhe; Lan, Yawen; Dupont, Sam; Sun, Meng; Cui, Shuaikang; Huang, Xizhi; Huang, Wei; Liu, Liping; Hu, Menghong; Lu, Weiqun; Wang, Youji

2018-01-01

With the release of large amounts of CO2, ocean acidification is intensifying and affecting aquatic organisms. In addition, salinity also plays an important role for marine organisms and fluctuates greatly in estuarine and coastal ecosystem, where ocean acidification frequently occurs. In present study, flow cytometry was used to investigate immune parameters of haemocytes in the thick shell mussel Mytilus coruscus exposed to different salinities (15, 25, and 35‰) and two pH levels (7.3 and 8.1). A 7-day in vivo and a 5-h in vitro experiments were performed. In both experiments, low pH had significant effects on all tested immune parameters. When exposed to decreased pH, total haemocyte count (THC), phagocytosis (Pha), esterase (Est), and lysosomal content (Lyso) were significantly decreased, whereas haemocyte mortality (HM) and reactive oxygen species (ROS) were increased. High salinity had no significant effects on the immune parameters of haemocytes as compared with low salinity. However, an interaction between pH and salinity was observed in both experiments for most tested haemocyte parameters. This study showed that high salinity, low salinity and low pH have negative and interactive effects on haemocytes of mussels. As a consequence, it can be expected that the combined effect of low pH and changed salinity will have more severe effects on mussel health than predicted by single exposure. PMID:29559924

Revenue Prediction of a Local Event Using the Mathematical Model of Hit Phenomena

NASA Astrophysics Data System (ADS)

Ishii, A.; Matsumoto, T.; Miki, S.

We propose a theoretical approach to investigate human-humaninteraction in the society, which uses a many-body theory that incorporates human-human interaction. We treat advertisement as an external force, and include the word of mouth (WOM) effect as a two-body interaction between humans and the rumor effect as a three-body interaction among humans. The parameters to define the strength of human interactions are assumed to be constant values. The calculated result explained well the two local events ``Mizuki-Shigeru Road in Sakaiminato" and ``the sculpture festival at Tottori" in Japan.

Interferometric modulation of quantum cascade interactions

NASA Astrophysics Data System (ADS)

Cusumano, Stefano; Mari, Andrea; Giovannetti, Vittorio

2018-05-01

We consider many-body quantum systems dissipatively coupled by a cascade network, i.e., a setup in which interactions are mediated by unidirectional environmental modes propagating through a linear optical interferometer. In particular we are interested in the possibility of inducing different effective interactions by properly engineering an external dissipative network of beam splitters and phase shifters. In this work we first derive the general structure of the master equation for a symmetric class of translation-invariant cascade networks. Then we show how, by tuning the parameters of the interferometer, one can exploit interference effects to tailor a large variety of many-body interactions.

Food-drug interactions.

PubMed

Schmidt, Lars E; Dalhoff, Kim

2002-01-01

Interactions between food and drugs may inadvertently reduce or increase the drug effect. The majority of clinically relevant food-drug interactions are caused by food-induced changes in the bioavailability of the drug. Since the bioavailability and clinical effect of most drugs are correlated, the bioavailability is an important pharmacokinetic effect parameter. However, in order to evaluate the clinical relevance of a food-drug interaction, the impact of food intake on the clinical effect of the drug has to be quantified as well. As a result of quality review in healthcare systems, healthcare providers are increasingly required to develop methods for identifying and preventing adverse food-drug interactions. In this review of original literature, we have tried to provide both pharmacokinetic and clinical effect parameters of clinically relevant food-drug interactions. The most important interactions are those associated with a high risk of treatment failure arising from a significantly reduced bioavailability in the fed state. Such interactions are frequently caused by chelation with components in food (as occurs with alendronic acid, clodronic acid, didanosine, etidronic acid, penicillamine and tetracycline) or dairy products (ciprofloxacin and norfloxacin), or by other direct interactions between the drug and certain food components (avitriptan, indinavir, itraconazole solution, levodopa, melphalan, mercaptopurine and perindopril). In addition, the physiological response to food intake, in particular gastric acid secretion, may reduce the bioavailability of certain drugs (ampicillin, azithromycin capsules, didanosine, erythromycin stearate or enteric coated, and isoniazid). For other drugs, concomitant food intake may result in an increase in drug bioavailability either because of a food-induced increase in drug solubility (albendazole, atovaquone, griseofulvin, isotretinoin, lovastatin, mefloquine, saquinavir and tacrolimus) or because of the secretion of gastric acid (itraconazole capsules) or bile (griseofulvin and halofantrine) in response to food intake. For most drugs, such an increase results in a desired increase in drug effect, but in others it may result in serious toxicity (halofantrine).

Non-equilibrium magnetic interactions in strongly correlated systems

NASA Astrophysics Data System (ADS)

Secchi, A.; Brener, S.; Lichtenstein, A. I.; Katsnelson, M. I.

2013-06-01

We formulate a low-energy theory for the magnetic interactions between electrons in the multi-band Hubbard model under non-equilibrium conditions determined by an external time-dependent electric field which simulates laser-induced spin dynamics. We derive expressions for dynamical exchange parameters in terms of non-equilibrium electronic Green functions and self-energies, which can be computed, e.g., with the methods of time-dependent dynamical mean-field theory. Moreover, we find that a correct description of the system requires, in addition to exchange, a new kind of magnetic interaction, that we name twist exchange, which formally resembles Dzyaloshinskii-Moriya coupling, but is not due to spin-orbit, and is actually due to an effective three-spin interaction. Our theory allows the evaluation of the related time-dependent parameters as well.

Study of molecular interactions in binary mixtures of 2-chloro-4'methoxy benzoin with various solvents through ultrasonic speed measurements

NASA Astrophysics Data System (ADS)

Thanuja, B.; Kanakam, C.; Nithya, G.

2013-12-01

Density ( ρ) and ultrasonic velocity ( U), for binary mixtures of 2-chloro-4'-methoxy benzoin with ethanol, chloroform, acetonitrile, benzene and 1,4-dioxane of different compositions have been measured at 298 K and explanation of solute solvent interactions and effect of polarity of the solvent on type of interactions are presented in this paper. From the above data, adiabatic compressibility ( β), intermolecular free length ( L f ) and relative association ( R A ) have been calculated. Other useful parameters such as excess density, excess velocity, excess intermolecular freelength and excess adiabatic compressibility have also been calculated. These parameters have been used to study the nature and extent of intermolecular interactions between component molecules in present binary mixtures.

Statistical uncertainties of a chiral interaction at next-to-next-to leading order

DOE PAGES

Ekström, A.; Carlsson, B. D.; Wendt, K. A.; ...

2015-02-05

In this paper, we have quantified the statistical uncertainties of the low-energy coupling-constants (LECs) of an optimized nucleon–nucleon interaction from chiral effective field theory at next-to-next-to-leading order. Finally, in addition, we have propagated the impact of the uncertainties of the LECs to two-nucleon scattering phase shifts, effective range parameters, and deuteron observables.

Interaction of two-dimensional transverse jet with a supersonic mainstream

NASA Technical Reports Server (NTRS)

Kraemer, G. O.; Tiwari, S. N.

1983-01-01

The interaction of a two dimensional sonic jet injected transversely into a confined main flow was studied. The main flow consisted of air at a Mach number of 2.9. The effects of varying the jet parameters on the flow field were examined using surface pressure and composition data. Also, the downstream flow field was examined using static pressure, pitot pressure, and composition profile data. The jet parameters varied were gapwidth, jet static pressure, and injectant species of either helium or nitrogen. The values of the jet parameters used were 0.039, 0.056, and 0.109 cm for the gapwidth and 5, 10, and 20 for the jet to mainstream static pressure ratios. The features of the flow field produced by the mixing and interaction of the jet with the mainstream were related to the jet momentum. The data were used to demonstrate the validity of an existing two dimensional elliptic flow code.

Ultracold Nonreactive Molecules in an Optical Lattice: Connecting Chemistry to Many-Body Physics.

PubMed

Doçaj, Andris; Wall, Michael L; Mukherjee, Rick; Hazzard, Kaden R A

2016-04-01

We derive effective lattice models for ultracold bosonic or fermionic nonreactive molecules (NRMs) in an optical lattice, analogous to the Hubbard model that describes ultracold atoms in a lattice. In stark contrast to the Hubbard model, which is commonly assumed to accurately describe NRMs, we find that the single on-site interaction parameter U is replaced by a multichannel interaction, whose properties we elucidate. Because this arises from complex short-range collisional physics, it requires no dipolar interactions and thus occurs even in the absence of an electric field or for homonuclear molecules. We find a crossover between coherent few-channel models and fully incoherent single-channel models as the lattice depth is increased. We show that the effective model parameters can be determined in lattice modulation experiments, which, consequently, measure molecular collision dynamics with a vastly sharper energy resolution than experiments in a free-space ultracold gas.

Quantum-memory-assisted entropic uncertainty in spin models with Dzyaloshinskii-Moriya interaction

NASA Astrophysics Data System (ADS)

Huang, Zhiming

2018-02-01

In this article, we investigate the dynamics and correlations of quantum-memory-assisted entropic uncertainty, the tightness of the uncertainty, entanglement, quantum correlation and mixedness for various spin chain models with Dzyaloshinskii-Moriya (DM) interaction, including the XXZ model with DM interaction, the XY model with DM interaction and the Ising model with DM interaction. We find that the uncertainty grows to a stable value with growing temperature but reduces as the coupling coefficient, anisotropy parameter and DM values increase. It is found that the entropic uncertainty is closely correlated with the mixedness of the system. The increasing quantum correlation can result in a decrease in the uncertainty, and the robustness of quantum correlation is better than entanglement since entanglement means sudden birth and death. The tightness of the uncertainty drops to zero, apart from slight volatility as various parameters increase. Furthermore, we propose an effective approach to steering the uncertainty by weak measurement reversal.

Extension of the self-consistent-charge density-functional tight-binding method: third-order expansion of the density functional theory total energy and introduction of a modified effective coulomb interaction.

PubMed

Yang, Yang; Yu, Haibo; York, Darrin; Cui, Qiang; Elstner, Marcus

2007-10-25

The standard self-consistent-charge density-functional-tight-binding (SCC-DFTB) method (Phys. Rev. B 1998, 58, 7260) is derived by a second-order expansion of the density functional theory total energy expression, followed by an approximation of the charge density fluctuations by charge monopoles and an effective damped Coulomb interaction between the atomic net charges. The central assumptions behind this effective charge-charge interaction are the inverse relation of atomic size and chemical hardness and the use of a fixed chemical hardness parameter independent of the atomic charge state. While these approximations seem to be unproblematic for many covalently bound systems, they are quantitatively insufficient for hydrogen-bonding interactions and (anionic) molecules with localized net charges. Here, we present an extension of the SCC-DFTB method to incorporate third-order terms in the charge density fluctuations, leading to chemical hardness parameters that are dependent on the atomic charge state and a modification of the Coulomb scaling to improve the electrostatic treatment within the second-order terms. These modifications lead to a significant improvement in the description of hydrogen-bonding interactions and proton affinities of biologically relevant molecules.

Effects of drilling parameters in numerical simulation to the bone temperature elevation

NASA Astrophysics Data System (ADS)

Akhbar, Mohd Faizal Ali; Malik, Mukhtar; Yusoff, Ahmad Razlan

2018-04-01

Drilling into the bone can produce significant amount of heat which can cause bone necrosis. Understanding the drilling parameters influence to the heat generation is necessary to prevent thermal necrosis to the bone. The aim of this study is to investigate the influence of drilling parameters on bone temperature elevation. Drilling simulations of various combinations of drill bit diameter, rotational speed and feed rate were performed using finite element software DEFORM-3D. Full-factorial design of experiments (DOE) and two way analysis of variance (ANOVA) were utilised to examine the effect of drilling parameters and their interaction influence on the bone temperature. The maximum bone temperature elevation of 58% was demonstrated within the range in this study. Feed rate was found to be the main parameter to influence the bone temperature elevation during the drilling process followed by drill diameter and rotational speed. The interaction between drill bit diameter and feed rate was found to be significantly influence the bone temperature. It is discovered that the use of low rotational speed, small drill bit diameter and high feed rate are able to minimize the elevation of bone temperature for safer surgical operations.

PMMA/PS coaxial electrospinning: a statistical analysis on processing parameters

NASA Astrophysics Data System (ADS)

Rahmani, Shahrzad; Arefazar, Ahmad; Latifi, Masoud

2017-08-01

Coaxial electrospinning, as a versatile method for producing core-shell fibers, is known to be very sensitive to two classes of influential factors including material and processing parameters. Although coaxial electrospinning has been the focus of many studies, the effects of processing parameters on the outcomes of this method have not yet been well investigated. A good knowledge of the impacts of processing parameters and their interactions on coaxial electrospinning can make it possible to better control and optimize this process. Hence, in this study, the statistical technique of response surface method (RSM) using the design of experiments on four processing factors of voltage, distance, core and shell flow rates was applied. Transmission electron microscopy (TEM), scanning electron microscopy (SEM), oil immersion and Fluorescent microscopy were used to characterize fiber morphology. The core and shell diameters of fibers were measured and the effects of all factors and their interactions were discussed. Two polynomial models with acceptable R-squares were proposed to describe the core and shell diameters as functions of the processing parameters. Voltage and distance were recognized as the most significant and influential factors on shell diameter, while core diameter was mainly under the influence of core and shell flow rates besides the voltage.

Hyper- and viscoelastic modeling of needle and brain tissue interaction.

PubMed

Lehocky, Craig A; Yixing Shi; Riviere, Cameron N

2014-01-01

Deep needle insertion into brain is important for both diagnostic and therapeutic clinical interventions. We have developed an automated system for robotically steering flexible needles within the brain to improve targeting accuracy. In this work, we have developed a finite element needle-tissue interaction model that allows for the investigation of safe parameters for needle steering. The tissue model implemented contains both hyperelastic and viscoelastic properties to simulate the instantaneous and time-dependent responses of brain tissue. Several needle models were developed with varying parameters to study the effects of the parameters on tissue stress, strain and strain rate during needle insertion and rotation. The parameters varied include needle radius, bevel angle, bevel tip fillet radius, insertion speed, and rotation speed. The results will guide the design of safe needle tips and control systems for intracerebral needle steering.

Theoretical and experimental investigation of drug-polymer interaction and miscibility and its impact on drug supersaturation in aqueous medium.

PubMed

Baghel, Shrawan; Cathcart, Helen; O'Reilly, Niall J

2016-10-01

Amorphous solid dispersions (ASDs) have the potential to offer higher apparent solubility and bioavailability of BCS class II drugs. Knowledge of the solid state drug-polymer solubility/miscibility and their mutual interaction are fundamental requirements for the effective design and development of such systems. To this end, we have carried out a comprehensive investigation of various ASD systems of dipyridamole and cinnarizine in polyvinylpyrrolidone (PVP) and polyacrylic acid (PAA) at different drug loadings. Theoretical and experimental examinations (by implementing binary and ternary Flory-Huggins (F-H) theory) related to drug-polymer interaction/miscibility including solubility parameter approach, melting point depression method, phase diagram, drug-polymer interaction in the presence of moisture and the effect of drug loading on interaction parameter were performed. The information obtained from this study was used to predict the stability of ASDs at different drug loadings and under different thermal and moisture conditions. Thermal and moisture sorption analysis not only provided the composition-dependent interaction parameter but also predicted the composition dependent miscibility. DPM-PVP, DPM-PAA and CNZ-PAA systems have shown molecular level mixing over the complete range of drug loading. For CNZ-PVP, the presence of a single Tg at lower drug loadings (10, 20 and 35%w/w) indicates the formation of solid solution. However, drug recrystallization was observed for samples with higher drug weight fractions (50 and 65%w/w). Finally, the role of polymer in maintaining drug supersaturation has also been explored. It has been found that drug-polymer combinations capable of hydrogen-bonding in the solution state (DPM-PVP, DPM-PAA and CNZ-PAA) are more effective in preventing drug crystallization compared to the drug-polymer systems without such interaction (CNZ-PVP). The DPM-PAA system outperformed all other ASDs in various stability conditions (dry-state, in the presence of moisture and in solution state), which was attributed to the drug's low crystallization tendency, the strong DPM-PAA interaction, the robustness of this interaction against moisture or water and the ability of PAA in maintaining DPM supersaturation. Copyright © 2016 Elsevier B.V. All rights reserved.

The existence of electron-acoustic shock waves and their interactions in a non-Maxwellian plasma with q-nonextensive distributed electrons

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

Han, Jiu-Ning; He, Yong-Lin; Han, Zhen-Hai

2013-07-15

We present a theoretical investigation for the nonlinear interaction between electron-acoustic shock waves in a nonextensive two-electron plasma. The interaction is governed by a pair of Korteweg-de Vries-Burgers equations. We focus on studying the colliding effects on the propagation of shock waves, more specifically, we have studied the effects of plasma parameters, i.e., the nonextensive parameter q, the “hot” to “cold” electron number density ratio α, and the normalized electron kinematic viscosity η{sub 0} on the trajectory changes (phase shifts) of shock waves. It is found that there are trajectory changes (phase shifts) for both colliding shock waves in themore » present plasma system. We also noted that the nonlinearity has no decisive effect on the trajectory changes, the occurrence of trajectory changes may be due to the combined role played by the dispersion and dissipation of the nonlinear structure. Our theoretical study may be beneficial to understand the propagation and interaction of nonlinear electrostatic waves and may brings a possibility to develop the nonlinear theory of electron-acoustic waves in astrophysical plasma systems.« less

Interactive electromagnetic launcher simulation

NASA Astrophysics Data System (ADS)

Young, F. J.; Howland, H. R.; Hughes, W. F.; Fikse, D. A.

1982-01-01

The mathematical model, usage, and documentation of an interactive computer simulation for an electromagnetic launcher is presented. The launcher is modeled as an electrical circuit. Three slight variations of the program permit studies of a launcher with (1) rail skin effects, (2) rail skin effects and approximated storage coil skin effects, or (3) neither of these effects. Usage of the program as currently implemented on the Westinghouse R&D Univac 1106 is described, with a sample session shown. The implementation of the program permits rapid scoping of the effects of parameter changes.

Switching between attractive and repulsive Coulomb-interaction-mediated drag in an ambipolar GaAs/AlGaAs bilayer device

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

Zheng, B.; Croxall, A. F.; Waldie, J., E-mail: jw353@cam.ac.uk

2016-02-08

We present measurements of Coulomb drag in an ambipolar GaAs/AlGaAs double quantum well structure that can be configured as both an electron-hole bilayer and a hole-hole bilayer, with an insulating barrier of only 10 nm between the two quantum wells. Coulomb drag resistivity is a direct measure of the strength of interlayer particle-particle interactions. We explore the strongly interacting regime of low carrier densities (2D interaction parameter r{sub s} up to 14). Our ambipolar device design allows a comparison between the effects of the attractive electron-hole and repulsive hole-hole interactions and also shows the effects of the different effective masses ofmore » electrons and holes in GaAs.« less

Interacting Effects Induced by Two Neighboring Pits Considering Relative Position Parameters and Pit Depth

PubMed Central

Huang, Yongfang; Gang, Tieqiang; Chen, Lijie

2017-01-01

For pre-corroded aluminum alloy 7075-T6, the interacting effects of two neighboring pits on the stress concentration are comprehensively analyzed by considering various relative position parameters (inclination angle θ and dimensionless spacing parameter λ) and pit depth (d) with the finite element method. According to the severity of the stress concentration, the critical corrosion regions, bearing high susceptibility to fatigue damage, are determined for intersecting and adjacent pits, respectively. A straightforward approach is accordingly proposed to conservatively estimate the combined stress concentration factor induced by two neighboring pits, and a concrete application example is presented. It is found that for intersecting pits, the normalized stress concentration factor Ktnor increases with the increase of θ and λ and always reaches its maximum at θ = 90°, yet for adjacent pits, Ktnor decreases with the increase of λ and the maximum value appears at a slight asymmetric location. The simulations reveal that Ktnor follows a linear and an exponential relationship with the dimensionless depth parameter Rd for intersecting and adjacent cases, respectively. PMID:28772758

Calculating the sensitivity and robustness of binding free energy calculations to force field parameters

PubMed Central

Rocklin, Gabriel J.; Mobley, David L.; Dill, Ken A.

2013-01-01

Binding free energy calculations offer a thermodynamically rigorous method to compute protein-ligand binding, and they depend on empirical force fields with hundreds of parameters. We examined the sensitivity of computed binding free energies to the ligand’s electrostatic and van der Waals parameters. Dielectric screening and cancellation of effects between ligand-protein and ligand-solvent interactions reduce the parameter sensitivity of binding affinity by 65%, compared with interaction strengths computed in the gas-phase. However, multiple changes to parameters combine additively on average, which can lead to large changes in overall affinity from many small changes to parameters. Using these results, we estimate that random, uncorrelated errors in force field nonbonded parameters must be smaller than 0.02 e per charge, 0.06 Å per radius, and 0.01 kcal/mol per well depth in order to obtain 68% (one standard deviation) confidence that a computed affinity for a moderately-sized lead compound will fall within 1 kcal/mol of the true affinity, if these are the only sources of error considered. PMID:24015114

Ensemble urban flood simulation in comparison with laboratory-scale experiments: Impact of interaction models for manhole, sewer pipe, and surface flow

NASA Astrophysics Data System (ADS)

Noh, Seong Jin; Lee, Seungsoo; An, Hyunuk; Kawaike, Kenji; Nakagawa, Hajime

2016-11-01

An urban flood is an integrated phenomenon that is affected by various uncertainty sources such as input forcing, model parameters, complex geometry, and exchanges of flow among different domains in surfaces and subsurfaces. Despite considerable advances in urban flood modeling techniques, limited knowledge is currently available with regard to the impact of dynamic interaction among different flow domains on urban floods. In this paper, an ensemble method for urban flood modeling is presented to consider the parameter uncertainty of interaction models among a manhole, a sewer pipe, and surface flow. Laboratory-scale experiments on urban flood and inundation are performed under various flow conditions to investigate the parameter uncertainty of interaction models. The results show that ensemble simulation using interaction models based on weir and orifice formulas reproduces experimental data with high accuracy and detects the identifiability of model parameters. Among interaction-related parameters, the parameters of the sewer-manhole interaction show lower uncertainty than those of the sewer-surface interaction. Experimental data obtained under unsteady-state conditions are more informative than those obtained under steady-state conditions to assess the parameter uncertainty of interaction models. Although the optimal parameters vary according to the flow conditions, the difference is marginal. Simulation results also confirm the capability of the interaction models and the potential of the ensemble-based approaches to facilitate urban flood simulation.

On the Interpretation of the level structure of the Ground 3d5 Manifold of Mn III, Fe IV, Co V and Ni VI

NASA Astrophysics Data System (ADS)

Leushin, A. M.

2011-10-01

The level structure of the ground 3d5 configuration of Mn2+, Fe3+, Co4+ and Ni5+ ions was theoretically interpreted by means of a least-squares fit of the energy parameters to the observed values within the framework of the single-configuration approximation. In the Hamiltonian in addition to real electrostatic, spin-orbit, and spin-spin interactions, electrostatic and spin-orbit interactions correlated by configuration mixing were included. It was shown that the correct positions of almost all the energy levels are determined when the Hamiltonian includes the terms of the lineal (two-body operators) and nonlinear (three-body operators) theory of the configuration interaction. The most correct theoretical description of the experimental spectra was obtained by taking into account relativistic interactions and correlation effects of spin-orbit interactions. Adjustable parameters of the interactions included into the Hamiltonian were found.

How CMB and large-scale structure constrain chameleon interacting dark energy

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

Boriero, Daniel; Das, Subinoy; Wong, Yvonne Y.Y., E-mail: boriero@physik.uni-bielefeld.de, E-mail: subinoy@iiap.res.in, E-mail: yvonne.y.wong@unsw.edu.au

2015-07-01

We explore a chameleon type of interacting dark matter-dark energy scenario in which a scalar field adiabatically traces the minimum of an effective potential sourced by the dark matter density. We discuss extensively the effect of this coupling on cosmological observables, especially the parameter degeneracies expected to arise between the model parameters and other cosmological parameters, and then test the model against observations of the cosmic microwave background (CMB) anisotropies and other cosmological probes. We find that the chameleon parameters α and β, which determine respectively the slope of the scalar field potential and the dark matter-dark energy coupling strength,more » can be constrained to α < 0.17 and β < 0.19 using CMB data and measurements of baryon acoustic oscillations. The latter parameter in particular is constrained only by the late Integrated Sachs-Wolfe effect. Adding measurements of the local Hubble expansion rate H{sub 0} tightens the bound on α by a factor of two, although this apparent improvement is arguably an artefact of the tension between the local measurement and the H{sub 0} value inferred from Planck data in the minimal ΛCDM model. The same argument also precludes chameleon models from mimicking a dark radiation component, despite a passing similarity between the two scenarios in that they both delay the epoch of matter-radiation equality. Based on the derived parameter constraints, we discuss possible signatures of the model for ongoing and future large-scale structure surveys.« less

Parameter Uncertainty on AGCM-simulated Tropical Cyclones

NASA Astrophysics Data System (ADS)

He, F.

2015-12-01

This work studies the parameter uncertainty on tropical cyclone (TC) simulations in Atmospheric General Circulation Models (AGCMs) using the Reed-Jablonowski TC test case, which is illustrated in Community Atmosphere Model (CAM). It examines the impact from 24 parameters across the physical parameterization schemes that represent the convection, turbulence, precipitation and cloud processes in AGCMs. The one-at-a-time (OAT) sensitivity analysis method first quantifies their relative importance on TC simulations and identifies the key parameters to the six different TC characteristics: intensity, precipitation, longwave cloud radiative forcing (LWCF), shortwave cloud radiative forcing (SWCF), cloud liquid water path (LWP) and ice water path (IWP). Then, 8 physical parameters are chosen and perturbed using the Latin-Hypercube Sampling (LHS) method. The comparison between OAT ensemble run and LHS ensemble run shows that the simulated TC intensity is mainly affected by the parcel fractional mass entrainment rate in Zhang-McFarlane (ZM) deep convection scheme. The nonlinear interactive effect among different physical parameters is negligible on simulated TC intensity. In contrast, this nonlinear interactive effect plays a significant role in other simulated tropical cyclone characteristics (precipitation, LWCF, SWCF, LWP and IWP) and greatly enlarge their simulated uncertainties. The statistical emulator Extended Multivariate Adaptive Regression Splines (EMARS) is applied to characterize the response functions for nonlinear effect. Last, we find that the intensity uncertainty caused by physical parameters is in a degree comparable to uncertainty caused by model structure (e.g. grid) and initial conditions (e.g. sea surface temperature, atmospheric moisture). These findings suggest the importance of using the perturbed physics ensemble (PPE) method to revisit tropical cyclone prediction under climate change scenario.

Multi-dimensional simulation package for ultrashort pulse laser-matter interactions

NASA Astrophysics Data System (ADS)

Suslova, Anastassiya; Hassanein, Ahmed

2017-10-01

Advanced simulation models recently became a popular tool of investigation of ultrashort pulse lasers (USPLs) to enhance understanding of the physics and allow minimizing the experimental costs for optimization of laser and target parameters for various applications. Our research interest is focused on developing multi-dimensional simulation package FEMTO-2D to investigate the USPL-matter interactions and laser induced effects. The package is based on solution of two heat conduction equations for electron and lattice sub-systems - enhanced two temperature model (TTM). We have implemented theoretical approach based on the collision theory to define the thermal dependence of target material optical properties and thermodynamic parameters. Our approach allowed elimination of fitted parameters commonly used in TTM based simulations. FEMTO-2D is used to simulated the light absorption and interactions for several metallic targets as a function of wavelength and pulse duration for wide range of laser intensity. The package has capability to consider different angles of incidence and polarization. It has also been used to investigate the damage threshold of the gold coated optical components with the focus on the role of the film thickness and substrate heat sink effect. This work was supported by the NSF, PIRE project.

Interaction model between a liquid film and a spherical probe

NASA Astrophysics Data System (ADS)

Ledesma Alonso, Rene; Legendre, Dominique; Tordjeman, Philippe

2012-11-01

To find a liquid surface profile, when performing AFM measurements, probe interaction effects should be identified. Herein, the behavior of a liquid film free surface (thickness E, surface tension γ and density difference Δρ), disposed over a flat surface and in the presence of a spherical probe (radius R) is forecast. A bump-like surface shape is observed, due to the probe/film interaction (characterized by the Hamaker constant Hpl). In addition, the attraction between the film and the substrate (depicted by Hsl) opposes the axial and radial deformation ranges. Several parameters portray the equilibrium shape: Bond Bo = (ΔρgR2) / γ and modified Hamaker Ha = 4Hpl / (3 πγR2) numbers, Hamaker ratio A =Hls /Hpl , separation distance D / R and film thickness E / R . We focus on the effect of geometry, nevertheless special attention is given to the role of physical parameters. Employing an augmented Young-Laplace equation, the equilibrium profile is described by a strongly non-linear ODE. A critical distance, below which the irreversible wetting process of the spherical probe occurs, is predicted. Our results provide simple relationships between parameters, which determine the optimal scanning conditions over liquid films.

Effect of additives on the clouding and aggregation behavior of Triton X-100

NASA Astrophysics Data System (ADS)

Semwal, Divyam; Sen, Indrani Das; Jayaram, Radha V.

2018-04-01

The present study investigates the effect of additives such as CsNO3 and imidazolium ionic liquids on the cloud point (CP) of Triton X-100. Thermodynamic parameters of the clouding process were determined in order to understand the interactions. CP was found to increase with the increase in concentration of most of the ionic liquids studied. This increase of CP reflects the solubilization of the ionic liquids in the micellar phase1. The thermodynamic parameters on the introduction of CsNO3 in TX-100 - ionic liquid system helps in understanding the different interactions occurring in the system. All ΔG values for clouding were found to be positive and hence made the process non spontaneous.

Magnetic properties, domain-wall creep motion, and the Dzyaloshinskii-Moriya interaction in Pt/Co/Ir thin films

NASA Astrophysics Data System (ADS)

Shepley, Philippa M.; Tunnicliffe, Harry; Shahbazi, Kowsar; Burnell, Gavin; Moore, Thomas A.

2018-04-01

We study the magnetic properties of perpendicularly magnetized Pt/Co/Ir thin films and investigate the domain-wall creep method of determining the interfacial Dzyaloshinskii-Moriya (DM) interaction in ultrathin films. Measurements of the Co layer thickness dependence of saturation magnetization, perpendicular magnetic anisotropy, and symmetric and antisymmetric (i.e., DM) exchange energies in Pt/Co/Ir thin films have been made to determine the relationship between these properties. We discuss the measurement of the DM interaction by the expansion of a reverse domain in the domain-wall creep regime. We show how the creep parameters behave as a function of in-plane bias field and discuss the effects of domain-wall roughness on the measurement of the DM interaction by domain expansion. Whereas modifications to the creep law with DM field and in-plane bias fields have taken into account changes in the energy barrier scaling parameter α , we find that both α and the velocity scaling parameter v0 change as a function of in-plane bias field.

Model-independent description of quartet nd scattering at low energies

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

Grinyuk, B.E.; Simenog, I.V.; Sitnichenko, A.I.

1984-02-01

Asymptotic expansions are obtained for the scattering length a/sub 3//sub ///sub 2/ and the effective range r/sub 3//sub ///sub 2/ for the quartet state of three nucleons in the form of series in powers of the two-nucleon triplet effective range r/sub 0t/. This allows a model-independent description of these parameters and of the quartet phase shift of nd scattering in the effective-range approximation. Correlations between the parameters of three- and two-nucleon scattering are proposed and explained; these correlations allow the systematization of numerical calculations of a/sub 3//sub ///sub 2/ and r/sub 3//sub ///sub 2/ for different forms of interaction potentials.more » The influence of the energy dependence of the interaction on a/sub 3//sub ///sub 2/ is also considered.« less

A Parametric Geometry Computational Fluid Dynamics (CFD) Study Utilizing Design of Experiments (DOE)

NASA Technical Reports Server (NTRS)

Rhew, Ray D.; Parker, Peter A.

2007-01-01

Design of Experiments (DOE) was applied to the LAS geometric parameter study to efficiently identify and rank primary contributors to integrated drag over the vehicles ascent trajectory in an order of magnitude fewer CFD configurations thereby reducing computational resources and solution time. SME s were able to gain a better understanding on the underlying flowphysics of different geometric parameter configurations through the identification of interaction effects. An interaction effect, which describes how the effect of one factor changes with respect to the levels of other factors, is often the key to product optimization. A DOE approach emphasizes a sequential approach to learning through successive experimentation to continuously build on previous knowledge. These studies represent a starting point for expanded experimental activities that will eventually cover the entire design space of the vehicle and flight trajectory.

Taguchi Optimization of Cutting Parameters in Turning AISI 1020 MS with M2 HSS Tool

NASA Astrophysics Data System (ADS)

Sonowal, Dharindom; Sarma, Dhrupad; Bakul Barua, Parimal; Nath, Thuleswar

2017-08-01

In this paper the effect of three cutting parameters viz. Spindle speed, Feed and Depth of Cut on surface roughness of AISI 1020 mild steel bar in turning was investigated and optimized to obtain minimum surface roughness. All the experiments are conducted on HMT LB25 lathe machine using M2 HSS cutting tool. Ranges of parameters of interest have been decided through some preliminary experimentation (One Factor At a Time experiments). Finally a combined experiment has been carried out using Taguchi’s L27 Orthogonal Array (OA) to study the main effect and interaction effect of the all three parameters. The experimental results were analyzed with raw data ANOVA (Analysis of Variance) and S/N data (Signal to Noise ratio) ANOVA. Results show that Spindle speed, Feed and Depth of Cut have significant effects on both mean and variation of surface roughness in turning AISI 1020 mild steel. Mild two factors interactions are observed among the aforesaid factors with significant effects only on the mean of the output variable. From the Taguchi parameter optimization the optimum factor combination is found to be 630 rpm spindle speed, 0.05 mm/rev feed and 1.25 mm depth of cut with estimated surface roughness 2.358 ± 0.970 µm. A confirmatory experiment was conducted with the optimum factor combination to verify the results. In the confirmatory experiment the average value of surface roughness is found to be 2.408 µm which is well within the range (0.418 µm to 4.299 µm) predicted for confirmatory experiment.

ADA genetic polymorphism and the effect of smoking on neonatal bilirubinemia and developmental parameters.

PubMed

Gloria-Bottini, F; Magrini, A; Cozzoli, E; Bergamaschi, A; Bottini, E

2008-11-01

Genetic variability of metabolic enzymes may influence the effect of cigarette smoking on intrauterine development and on early neonatal events. To investigate the role of adenosine deaminase genetic polymorphism on the effect of smoking on neonatal bilirubinemia and developmental parameters. Analysis of association between adenosine deaminase phenotypes and neonatal developmental parameters. Prospective study of serum bilirubin level in relation to adenosine deaminase phenotype. We have studied 360 consecutive newborn infants from the Caucasian population of Rome. Serum bilirubin concentration was determined at birth and every 24 h for the first five days. Overall maternal smoking is associated with a slight decrease in the incidence of phototherapy (13.4% in non smoking vs 11.7% in smoking mothers) and with a reduction of birth weight (3374 g in non smoking mothers vs 3133 g in smoking mothers). There is a significant interaction between smoke and adenosine deaminase. While in non smoking mothers the incidence of phototherapy in carriers of ADA 2 allele is higher than in ADA 1 phenotype, in infants from smoking mothers the pattern is reversed and the incidence of phototherapy in carriers of ADA 2 allele is lower than in infants with ADA 1 phenotype. Other neonatal bilirubin parameters follow a similar pattern of interaction between smoking and ADA. The negative effect of smoke on birth weight is much more evident in infant with ADA 1 phenotype than in those carrying the ADA 2 allele. The data suggest that ADA phenotype modifies the effect of smoking on developmental and bilirubin parameters.

Hydrogen isotopes transport parameters in fusion reactor materials

NASA Astrophysics Data System (ADS)

Serra, E.; Benamati, G.; Ogorodnikova, O. V.

1998-06-01

This work presents a review of hydrogen isotopes-materials interactions in various materials of interest for fusion reactors. The relevant parameters cover mainly diffusivity, solubility, trap concentration and energy difference between trap and solution sites. The list of materials includes the martensitic steels (MANET, Batman and F82H-mod.), beryllium, aluminium, beryllium oxide, aluminium oxide, copper, tungsten and molybdenum. Some experimental work on the parameters that describe the surface effects is also mentioned.

Universal DC Hall conductivity of Jain's state ν = N/2N +/- 1

NASA Astrophysics Data System (ADS)

Nguyen, Dung; Son, Dam

We present the Fermi-liquid theory of the fractional quantum Hall effect to describe Jain's states with filling fraction ν =N/2 N +/- 1 , that are near half filling. We derive the DC Hall conductivity σH (t) in closed form within the validity of our model. The results show that, without long range interaction, DC Hall conductivity has the universal form which doesn't depend on the detail of short range Landau's parameters Fn. When long range interaction is included, DC Hall conductivity depends on both long range interaction and Landau's parameters. We also analyze the relation between DC Hall conductivity and static structure factor. This work was supported by the Chicago MRSEC, which is funded by NSF through Grant DMR-1420709.

Binding free energy calculations to rationalize the interactions of huprines with acetylcholinesterase.

PubMed

Nascimento, Érica C M; Oliva, Mónica; Andrés, Juan

2018-05-01

In the present study, the binding free energy of a family of huprines with acetylcholinesterase (AChE) is calculated by means of the free energy perturbation method, based on hybrid quantum mechanics and molecular mechanics potentials. Binding free energy calculations and the analysis of the geometrical parameters highlight the importance of the stereochemistry of huprines in AChE inhibition. Binding isotope effects are calculated to unravel the interactions between ligands and the gorge of AChE. New chemical insights are provided to explain and rationalize the experimental results. A good correlation with the experimental data is found for a family of inhibitors with moderate differences in the enzyme affinity. The analysis of the geometrical parameters and interaction energy per residue reveals that Asp72, Glu199, and His440 contribute significantly to the network of interactions between active site residues, which stabilize the inhibitors in the gorge. It seems that a cooperative effect of the residues of the gorge determines the affinity of the enzyme for these inhibitors, where Asp72, Glu199, and His440 make a prominent contribution.

Binding free energy calculations to rationalize the interactions of huprines with acetylcholinesterase

NASA Astrophysics Data System (ADS)

Nascimento, Érica C. M.; Oliva, Mónica; Andrés, Juan

2018-03-01

In the present study, the binding free energy of a family of huprines with acetylcholinesterase (AChE) is calculated by means of the free energy perturbation method, based on hybrid quantum mechanics and molecular mechanics potentials. Binding free energy calculations and the analysis of the geometrical parameters highlight the importance of the stereochemistry of huprines in AChE inhibition. Binding isotope effects are calculated to unravel the interactions between ligands and the gorge of AChE. New chemical insights are provided to explain and rationalize the experimental results. A good correlation with the experimental data is found for a family of inhibitors with moderate differences in the enzyme affinity. The analysis of the geometrical parameters and interaction energy per residue reveals that Asp72, Glu199, and His440 contribute significantly to the network of interactions between active site residues, which stabilize the inhibitors in the gorge. It seems that a cooperative effect of the residues of the gorge determines the affinity of the enzyme for these inhibitors, where Asp72, Glu199, and His440 make a prominent contribution.

Binding free energy calculations to rationalize the interactions of huprines with acetylcholinesterase

NASA Astrophysics Data System (ADS)

Nascimento, Érica C. M.; Oliva, Mónica; Andrés, Juan

2018-05-01

In the present study, the binding free energy of a family of huprines with acetylcholinesterase (AChE) is calculated by means of the free energy perturbation method, based on hybrid quantum mechanics and molecular mechanics potentials. Binding free energy calculations and the analysis of the geometrical parameters highlight the importance of the stereochemistry of huprines in AChE inhibition. Binding isotope effects are calculated to unravel the interactions between ligands and the gorge of AChE. New chemical insights are provided to explain and rationalize the experimental results. A good correlation with the experimental data is found for a family of inhibitors with moderate differences in the enzyme affinity. The analysis of the geometrical parameters and interaction energy per residue reveals that Asp72, Glu199, and His440 contribute significantly to the network of interactions between active site residues, which stabilize the inhibitors in the gorge. It seems that a cooperative effect of the residues of the gorge determines the affinity of the enzyme for these inhibitors, where Asp72, Glu199, and His440 make a prominent contribution.

Make dark matter charged again

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

Agrawal, Prateek; Cyr-Racine, Francis-Yan; Randall, Lisa

2017-05-01

We revisit constraints on dark matter that is charged under a U(1) gauge group in the dark sector, decoupled from Standard Model forces. We find that the strongest constraints in the literature are subject to a number of mitigating factors. For instance, the naive dark matter thermalization timescale in halos is corrected by saturation effects that slow down isotropization for modest ellipticities. The weakened bounds uncover interesting parameter space, making models with weak-scale charged dark matter viable, even with electromagnetic strength interaction. This also leads to the intriguing possibility that dark matter self-interactions within small dwarf galaxies are extremely large,more » a relatively unexplored regime in current simulations. Such strong interactions suppress heat transfer over scales larger than the dark matter mean free path, inducing a dynamical cutoff length scale above which the system appears to have only feeble interactions. These effects must be taken into account to assess the viability of darkly-charged dark matter. Future analyses and measurements should probe a promising region of parameter space for this model.« less

Vortices in a rotating two-component Bose–Einstein condensate with tunable interactions and harmonic potential

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

Zhang, Xiao-Fei, E-mail: xfzhang@ntsc.ac.cn; Du, Zhi-Jing; Tan, Ren-Bing

We consider a pair of coupled nonlinear Schrödinger equations modeling a rotating two-component Bose–Einstein condensate with tunable interactions and harmonic potential, with emphasis on the structure of vortex states by varying the strength of inter-component interaction, rotational frequency, and the aspect ratio of the harmonic potential. Our results show that the inter-component interaction greatly enhances the effect of rotation. For the case of isotropic harmonic potential and small inter-component interaction, the initial vortex structure remains unchanged. As the ratio of inter- to intra-component interactions increases, each component undergoes a transition from a vortex lattice (vortex line) in an isotropic (anisotropic)more » harmonic potential to an alternatively arranged stripe pattern, and eventually to the interwoven “serpentine” vortex sheets. Moreover, in the case of anisotropic harmonic potential the system can develop to a rotating droplet structure. -- Highlights: •Different vortex structures are obtained within the full parameter space. •Effects of system parameters on the ground state structure are discussed. •Phase transition between different vortex structures is also examined. •Present one possible way to obtain the rotating droplet structure. •Provide many possibilities to manipulate vortex in two-component BEC.« less

Biomolecule-nanoparticle interactions: Elucidation of the thermodynamics by isothermal titration calorimetry.

PubMed

Huang, Rixiang; Lau, Boris L T

2016-05-01

Nanomaterials (NMs) are often exposed to a broad range of biomolecules of different abundances. Biomolecule sorption driven by various interfacial forces determines the surface structure and composition of NMs, subsequently governs their functionality and the reactivity of the adsorbed biomolecules. Isothermal titration calorimetry (ITC) is a nondestructive technique that quantifies thermodynamic parameters through in-situ measurement of the heat absorption or release associated with an interaction. This review highlights the recent applications of ITC in understanding the thermodynamics of interactions between various nanoparticles (NPs) and biomolecules. Different aspects of a typical ITC experiment that are crucial for obtaining accurate and meaningful data, as well as the strengths, weaknesses, and challenges of ITC applications to NP research were discussed. ITC reveals the driving forces behind biomolecule-NP interactions and the effects of the physicochemical properties of both NPs and biomolecules by quantifying the crucial thermodynamics parameters (e.g., binding stoichiometry, ΔH, ΔS, and ΔG). Complimentary techniques would strengthen the interpretation of ITC results for a more holistic understanding of biomolecule-NP interactions. The thermodynamic information revealed by ITC and its complimentary characterizations is important for understanding biomolecule-NP interactions that are fundamental to the biomedical and environmental applications of NMs and their toxicological effects. Copyright © 2016 Elsevier B.V. All rights reserved.

Parent-Child Interaction Therapy (PCIT) in school-aged children with specific language impairment.

PubMed

Allen, Jessica; Marshall, Chloë R

2011-01-01

Parents play a critical role in their child's language development. Therefore, advising parents of a child with language difficulties on how to facilitate their child's language might benefit the child. Parent-Child Interaction Therapy (PCIT) has been developed specifically for this purpose. In PCIT, the speech-and-language therapist (SLT) works collaboratively with parents, altering interaction styles to make interaction more appropriate to their child's level of communicative needs. This study investigates the effectiveness of PCIT in 8-10-year-old children with specific language impairment (SLI) in the expressive domain. It aimed to identify whether PCIT had any significant impact on the following communication parameters of the child: verbal initiations, verbal and non-verbal responses, mean length of utterance (MLU), and proportion of child-to-parent utterances. Sixteen children with SLI and their parents were randomly assigned to two groups: treated or delayed treatment (control). The treated group took part in PCIT over a 4-week block, and then returned to the clinic for a final session after a 6-week consolidation period with no input from the therapist. The treated and control group were assessed in terms of the different communication parameters at three time points: pre-therapy, post-therapy (after the 4-week block) and at the final session (after the consolidation period), through video analysis. It was hypothesized that all communication parameters would significantly increase in the treated group over time and that no significant differences would be found in the control group. All the children in the treated group made language gains during spontaneous interactions with their parents. In comparison with the control group, PCIT had a positive effect on three of the five communication parameters: verbal initiations, MLU and the proportion of child-to-parent utterances. There was a marginal effect on verbal responses, and a trend towards such an effect for non-verbal responses. Despite the small group sizes, this study provides preliminary evidence that PCIT can achieve its treatment goals with 8-10-year-olds who have expressive language impairments. This has potentially important implications for how mainstream speech and language services provide intervention to school-aged children. In contrast to direct one-to-one therapy, PCIT offers a single block of therapy where the parents' communication and interaction skills are developed to provide the child with an appropriate language-rich environment, which in turn could be more cost-effective for the service provider. © 2010 Royal College of Speech & Language Therapists.

Effects of thermal cycling on composite materials for space structures

NASA Technical Reports Server (NTRS)

Tompkins, Stephen S.

1989-01-01

The effects of thermal cycling on the thermal and mechanical properties of composite materials that are candidates for space structures are briefly described. The results from a thermal analysis of the orbiting Space Station Freedom is used to define a typical thermal environment and the parameters that cause changes in the thermal history. The interactions of this environment with composite materials are shown and described. The effects of this interaction on the integrity as well as the properties of GR/thermoset, Gr/thermoplastic, Gr/metal and Gr/glass composite materials are discussed. Emphasis is placed on the effects of the interaction that are critical to precision spacecraft. Finally, ground test methodology are briefly discussed.

Decoherence Effect on Quantum Correlation and Entanglement in a Two-qubit Spin Chain

NASA Astrophysics Data System (ADS)

Pourkarimi, Mohammad Reza; Rahnama, Majid; Rooholamini, Hossein

2015-04-01

Assuming a two-qubit system in Werner state which evolves in Heisenberg XY model with Dzyaloshinskii-Moriya (DM) interaction under the effect of different environments. We evaluate and compare quantum entanglement, quantum and classical correlation measures. It is shown that in the absence of decoherence effects, there is a critical value of DM interaction for which entanglement may vanish while quantum and classical correlations do not. In the presence of environment the behavior of correlations depends on the kind of system-environment interaction. Correlations can be sustained by manipulating Hamiltonian anisotropic-parameter in a dissipative environment. Quantum and classical correlations are more stable than entanglement generally.

Multiple Parton Interactions in p$$bar{p}$$ Collisions in D0 Experiment at the Tevatron Collider (in Russian)

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

Golovanov, Georgy

The thesis is devoted to the study of processes with multiple parton interactions (MPI) in a ppbar collision collected by D0 detector at the Fermilab Tevatron collider at sqrt(s) = 1.96 TeV. The study includes measurements of MPI event fraction and effective cross section, a process-independent parameter related to the effective interaction region inside the nucleon. The measurements are done using events with a photon and three hadronic jets in the final state. The measured effective cross section is used to estimate background from MPI for WH production at the Tevatron energy

Dynamic effect of total solid content, low substrate/inoculum ratio and particle size on solid-state anaerobic digestion.

PubMed

Motte, J-C; Escudié, R; Bernet, N; Delgenes, J-P; Steyer, J-P; Dumas, C

2013-09-01

Among all the process parameters of solid-state anaerobic digestion (SS-AD), total solid content (TS), inoculation (S/X ratio) and size of the organic solid particles can be optimized to improve methane yield and process stability. To evaluate the effects of each parameter and their interactions on methane production, a three level Box-Behnken experimental design was implemented in SS-AD batch tests degrading wheat straw by adjusting: TS content from 15% to 25%, S/X ratio (in volatile solids) between 28 and 47 and particle size with a mean diameter ranging from 0.1 to 1.4mm. A dynamic analysis of the methane production indicates that the S/X ratio has only an effect during the start-up phase of the SS-AD. During the growing phase, TS content becomes the main parameter governing the methane production and its strong interaction with the particle size suggests the important role of water compartmentation on SS-AD. Copyright © 2013 Elsevier Ltd. All rights reserved.

't Hooft Quantization for Interacting Systems

NASA Astrophysics Data System (ADS)

Jizba, Petr; Scardigli, Fabio; Blasone, Massimo; Vitiello, Giuseppe

2012-02-01

In the framework of 't Hooft's "deterministic quantization" proposal, we show how to obtain from a composite system of two classical Bateman's oscillators a quantum isotonic oscillator. In a specific range of parameters, such a system can be also interpreted as a particle in an effective magnetic field, interacting through a spin-orbit interaction term. In the limit of a large separation from the interaction region, the system can be described in terms of two irreducible elementary subsystems, corresponding to two independent quantum harmonic oscillators.

Physics Division annual report, 1 January-31 December 1984

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

Not Available

1985-10-01

A brief overview of each of the several areas of research is given with a list of resulting publications. Areas of research include electron-positron annihilation, neutrino interactions, neutrinoless double beta decay of /sup 100/Mo, double beta decay of /sup 76/Ge, antiproton-proton interactions, right-handed gauge boson effects, muon decay asymmetry parameter measurements, supernovae detection, Nemesis search, and detector development. Areas of theoretical research include electroweak interactions, strong interactions, nonperturbative dynamics, supersymmetry, and cosmology and particle physics. 34 figs. (WRF)

Creep, Fatigue and Environmental Interactions and Their Effect on Crack Growth in Superalloys

NASA Technical Reports Server (NTRS)

Telesman, J.; Gabb, T. P.; Ghosn, L. J.; Smith, T.

2017-01-01

Complex interactions of creep/fatigue/environment control dwell fatigue crack growth (DFCG) in superalloys. Crack tip stress relaxation during dwells significantly changes the crack driving force and influence DFCG. Linear Elastic Fracture Mechanics, Kmax, parameter unsuitable for correlating DFCG behavior due to extensive visco-plastic deformation. Magnitude of remaining crack tip axial stresses controls DFCG resistance due to the brittle-intergranular nature of the crack growth process. Proposed a new empirical parameter, Ksrf, which incorporates visco-plastic evolution of the magnitude of remaining crack tip stresses. Previous work performed at 704C, extend the work to 760C.

Skin friction and heat transfer correlations for high-speed low-density flow past a flat plate

NASA Technical Reports Server (NTRS)

Woronowicz, Michael S.; Baganoff, Donald

1991-01-01

The independent and dependent variables associated with drag and heat transfer to a flat plate at zero incidence in high-speed, rarefied flow are analyzed anew to reflect the importance of kinetic effects occurring near the plate surface on energy and momentum transfer, rather than following arguments normally used to describe continuum, higher density flowfields. A new parameter, the wall Knudsen number Knx,w, based on an estimate of the mean free path length of molecules having just interacted with the surface of the plate, is introduced and used to correlate published drag and heat transfer data. The new parameter is shown to provide better correlation than either the viscous interaction parameter X or the widely-used slip parameter Voo for drag and heat transfer data over a wide range of Mach numbers, Reynolds numbers, and plate-to-freestream stagnation temperature ratios.

Non-Standard Interactions in propagation at the Deep Underground Neutrino Experiment

DOE PAGES

Coloma, Pilar

2016-03-03

Here, we study the sensitivity of current and future long-baseline neutrino oscillation experiments to the effects of dimension six operators affecting neutrino propagation through Earth, commonly referred to as Non-Standard Interactions (NSI). All relevant parameters entering the oscillation probabilities (standard and non-standard) are considered at once, in order to take into account possible cancellations and degeneracies between them. We find that the Deep Underground Neutrino Experiment will significantly improve over current constraints for most NSI parameters. Most notably, it will be able to rule out the so-called LMA-dark solution, still compatible with current oscillation data, and will be sensitive to off-diagonal NSI parameters at the level of ε ~more » $$ \\mathcal{O} $$ (0.05 – 0.5). We also identify two degeneracies among standard and non-standard parameters, which could be partially resolved by combining T2HK and DUNE data.« less

Gas-surface interactions using accommodation coefficients for a dilute and a dense gas in a micro- or nanochannel: heat flux predictions using combined molecular dynamics and Monte Carlo techniques.

PubMed

Nedea, S V; van Steenhoven, A A; Markvoort, A J; Spijker, P; Giordano, D

2014-05-01

The influence of gas-surface interactions of a dilute gas confined between two parallel walls on the heat flux predictions is investigated using a combined Monte Carlo (MC) and molecular dynamics (MD) approach. The accommodation coefficients are computed from the temperature of incident and reflected molecules in molecular dynamics and used as effective coefficients in Maxwell-like boundary conditions in Monte Carlo simulations. Hydrophobic and hydrophilic wall interactions are studied, and the effect of the gas-surface interaction potential on the heat flux and other characteristic parameters like density and temperature is shown. The heat flux dependence on the accommodation coefficient is shown for different fluid-wall mass ratios. We find that the accommodation coefficient is increasing considerably when the mass ratio is decreased. An effective map of the heat flux depending on the accommodation coefficient is given and we show that MC heat flux predictions using Maxwell boundary conditions based on the accommodation coefficient give good results when compared to pure molecular dynamics heat predictions. The accommodation coefficients computed for a dilute gas for different gas-wall interaction parameters and mass ratios are transferred to compute the heat flux predictions for a dense gas. Comparison of the heat fluxes derived using explicit MD, MC with Maxwell-like boundary conditions based on the accommodation coefficients, and pure Maxwell boundary conditions are discussed. A map of the heat flux dependence on the accommodation coefficients for a dense gas, and the effective accommodation coefficients for different gas-wall interactions are given. In the end, this approach is applied to study the gas-surface interactions of argon and xenon molecules on a platinum surface. The derived accommodation coefficients are compared with values of experimental results.

Effects of space environment on composites: An analytical study of critical experimental parameters

NASA Technical Reports Server (NTRS)

Gupta, A.; Carroll, W. F.; Moacanin, J.

1979-01-01

A generalized methodology currently employed at JPL, was used to develop an analytical model for effects of high-energy electrons and interactions between electron and ultraviolet effects. Chemical kinetic concepts were applied in defining quantifiable parameters; the need for determining short-lived transient species and their concentration was demonstrated. The results demonstrates a systematic and cost-effective means of addressing the issues and show qualitative and quantitative, applicable relationships between space radiation and simulation parameters. An equally important result is identification of critical initial experiments necessary to further clarify the relationships. Topics discussed include facility and test design; rastered vs. diffuse continuous e-beam; valid acceleration level; simultaneous vs. sequential exposure to different types of radiation; and interruption of test continuity.

Precision constraints on the top-quark effective field theory at future lepton colliders

NASA Astrophysics Data System (ADS)

Durieux, G.

We examine the constraints that future lepton colliders would impose on the effective field theory describing modifications of top-quark interactions beyond the standard model, through measurements of the $e^+e^-\\to bW^+\\:\\bar bW^-$ process. Statistically optimal observables are exploited to constrain simultaneously and efficiently all relevant operators. Their constraining power is sufficient for quadratic effective-field-theory contributions to have negligible impact on limits which are therefore basis independent. This is contrasted with the measurements of cross sections and forward-backward asymmetries. An overall measure of constraints strength, the global determinant parameter, is used to determine which run parameters impose the strongest restriction on the multidimensional effective-field-theory parameter space.

Random vs. Combinatorial Methods for Discrete Event Simulation of a Grid Computer Network

NASA Technical Reports Server (NTRS)

Kuhn, D. Richard; Kacker, Raghu; Lei, Yu

2010-01-01

This study compared random and t-way combinatorial inputs of a network simulator, to determine if these two approaches produce significantly different deadlock detection for varying network configurations. Modeling deadlock detection is important for analyzing configuration changes that could inadvertently degrade network operations, or to determine modifications that could be made by attackers to deliberately induce deadlock. Discrete event simulation of a network may be conducted using random generation, of inputs. In this study, we compare random with combinatorial generation of inputs. Combinatorial (or t-way) testing requires every combination of any t parameter values to be covered by at least one test. Combinatorial methods can be highly effective because empirical data suggest that nearly all failures involve the interaction of a small number of parameters (1 to 6). Thus, for example, if all deadlocks involve at most 5-way interactions between n parameters, then exhaustive testing of all n-way interactions adds no additional information that would not be obtained by testing all 5-way interactions. While the maximum degree of interaction between parameters involved in the deadlocks clearly cannot be known in advance, covering all t-way interactions may be more efficient than using random generation of inputs. In this study we tested this hypothesis for t = 2, 3, and 4 for deadlock detection in a network simulation. Achieving the same degree of coverage provided by 4-way tests would have required approximately 3.2 times as many random tests; thus combinatorial methods were more efficient for detecting deadlocks involving a higher degree of interactions. The paper reviews explanations for these results and implications for modeling and simulation.

General Electric 20-ampere hour nickel-cadmium battery

NASA Technical Reports Server (NTRS)

Kirsch, W. W.

1974-01-01

The interaction, effect, and controllability of the performance parameters of the General Electric 20-ampere-hour, 24-cell nickel cadmium battery are investigated. The battery was cycled under simulated orbit conditions. The acquired data was analyzed and evaluated in terms of battery parameters and performance characteristics. Conclusions and tests results are presented along with recommendations for further study.

Parametric study of the 5d3, 5d2 6 s and 5d2 6 p configurations in the Lu I isoelectronic sequence (Ta III-Hg X) using orthogonal operators

NASA Astrophysics Data System (ADS)

Azarov, Vladimir I.

2018-01-01

Data available on the 5d3, 5d26s and 5d26p configurations in the Lu I isoelectronic sequence have been critically reviewed by means of calculations with the orthogonal operators. The study included spectra from Ta III through Hg X. The calculations agree very well with the experimental data. The isoelectronic behavior of parameters and deviations of the experimental levels from the calculated positions, ΔE = (Eexp -Ecalc), show regular trends. Three missing 5d26s levels have been accurately predicted theoretically and confirmed experimentally: the level (3P)2P3/2 in Pt VIII and the levels (3P)4P5/2 and (3P)2P1/2 in Os VI have been determined in the study. The research suggested revision of the published initial analyses of the Re V and Hg X spectra. The recently completed revised analysis of Re V has confirmed the issues noticed in the initial analysis and has resulted in the data that fit very well in the current parametric study. The isoelectronic evolution of the higher order interactions was studied for the first time in the Lu I sequence. The study included the parameters Ac, A3-A6 describing two-particle magnetic interaction of the dd-type, the parameter Amso describing two-particle magnetic ds-type effect, the parameter Tdds describing 3-particle electrostatic ds-type interaction, and the effective parameters S1 and S2 of the dp-type.

Spin and orbital exchange interactions from Dynamical Mean Field Theory

NASA Astrophysics Data System (ADS)

Secchi, A.; Lichtenstein, A. I.; Katsnelson, M. I.

2016-02-01

We derive a set of equations expressing the parameters of the magnetic interactions characterizing a strongly correlated electronic system in terms of single-electron Green's functions and self-energies. This allows to establish a mapping between the initial electronic system and a spin model including up to quadratic interactions between the effective spins, with a general interaction (exchange) tensor that accounts for anisotropic exchange, Dzyaloshinskii-Moriya interaction and other symmetric terms such as dipole-dipole interaction. We present the formulas in a format that can be used for computations via Dynamical Mean Field Theory algorithms.

Headgroup interactions and ion flotation efficiency in mixtures of a chelating surfactant, different foaming agents, and divalent metal ions.

PubMed

Svanedal, Ida; Boija, Susanne; Norgren, Magnus; Edlund, Håkan

2014-06-10

The correlation between interaction parameters and ion flotation efficiency in mixtures of chelating surfactant metal complexes and different foaming agents was investigated. We have recently shown that chelating surfactant 2-dodecyldiethylenetriaminepentaacetic acid (4-C12-DTPA) forms strong coordination complexes with divalent metal ions, and this can be utilized in ion flotation. Interaction parameters for mixed micelles and mixed monolayer formation for Mg(2+) and Ni(2+) complexes with the chelating surfactant 4-C12-DTPA and different foaming agents were calculated by Rubingh's regular solution theory. Parameters for the calculations were extracted from surface tension measurements and NMR diffusometry. The effects of metal ion coordination on the interactions between 4-C12-DTPA and the foaming agents could be linked to a previously established difference in coordination chemistry between the examined metal ions. As can be expected from mixtures of amphoteric surfactants, the interactions were strongly pH-dependent. Strong correlation was found between interaction parameter β(σ) for mixed monolayer formation and the phase-transfer efficiency of Ni(2+) complexes with 4-C12-DTPA during flotation in a customized flotation cell. In a mixture of Cu(2+) and Zn(2+), the significant difference in conditional stability constants (log K) between the metal complexes was utilized to selectively recover the metal complex with the highest log K (Cu(2+)) by ion flotation. Flotation experiments in an excess concentration of metal ions confirmed the coordination of more than one metal ion to the headgroup of 4-C12-DTPA.

Interactive effects of aging parameters of AA6056

NASA Astrophysics Data System (ADS)

Dehghani, Kamran; Nekahi, Atiye

2012-10-01

The effect of thermomechanical treatment on the aging behavior of AA6056 aluminum alloy was modeled using response surface methodology (RSM). Two models were developed to predict the final yield stress (FYS) and elongation amounts as well as the optimum conditions of aging process. These were done based on the interactive effects of applied thermomechanical parameters. The optimum condition predicted by the model to attain the maximum strength was pre-aging at 80 °C for 15 h, followed by 70% cold work and subsequent final aging at 165 °C for 4 h, which resulted in the FYS of about 480 MPa. As for the elongation, the optimum condition was pre-aging at 80 °C for 15 h, followed by 30% cold work and final-aging at 165 °C for 4 h, which led to 21% elongation. To verify the suggested optimum conditions, the tests were carried out confirming the high accuracy (above 94%) of the RSM technique as well as the developed models. It is shown that the RSM can be used successfully to optimize the aging process, to determine the significance of aging parameters and to model the combination effect of process variables on the aging behavior of AA6056.

Modelling algae-duckweed interaction under chemical pressure within a laboratory microcosm.

PubMed

Lamonica, Dominique; Clément, Bernard; Charles, Sandrine; Lopes, Christelle

2016-06-01

Contaminant effects on species are generally assessed with single-species bioassays. As a consequence, interactions between species that occur in ecosystems are not taken into account. To investigate the effects of contaminants on interacting species dynamics, our study describes the functioning of a 2-L laboratory microcosm with two species, the duckweed Lemna minor and the microalgae Pseudokirchneriella subcapitata, exposed to cadmium contamination. We modelled the dynamics of both species and their interactions using a mechanistic model based on coupled ordinary differential equations. The main processes occurring in this two-species microcosm were thus formalised, including growth and settling of algae, growth of duckweeds, interspecific competition between the two species and cadmium effects. We estimated model parameters by Bayesian inference, using simultaneously all the data issued from multiple laboratory experiments specifically conducted for this study. Cadmium concentrations ranged between 0 and 50 μg·L(-1). For all parameters of our model, we obtained biologically realistic values and reasonable uncertainties. Only duckweed dynamics was affected by interspecific competition, while algal dynamics was not impaired. Growth rate of both species decreased with cadmium concentration, as well as competition intensity showing that the interspecific competition pressure on duckweed decreased with cadmium concentration. This innovative combination of mechanistic modelling and model-guided experiments was successful to understand the algae-duckweed microcosm functioning without and with contaminant. This approach appears promising to include interactions between species when studying contaminant effects on ecosystem functioning. Copyright © 2016 Elsevier Inc. All rights reserved.

Effect of Process Parameters on Catalytic Incineration of Solvent Emissions

PubMed Central

Ojala, Satu; Lassi, Ulla; Perämäki, Paavo; Keiski, Riitta L.

2008-01-01

Catalytic oxidation is a feasible and affordable technology for solvent emission abatement. However, finding optimal operation conditions is important, since they are strongly dependent on the application area of VOC incineration. This paper presents the results of the laboratory experiments concerning four most central parameters, that is, effects of concentration, gas hourly space velocity (GHSV), temperature, and moisture on the oxidation of n-butyl acetate. Both fresh and industrially aged commercial Pt/Al2O3 catalysts were tested to determine optimal process conditions and the significance order and level of selected parameters. The effects of these parameters were evaluated by computer-aided statistical experimental design. According to the results, GHSV was the most dominant parameter in the oxidation of n-butyl acetate. Decreasing GHSV and increasing temperature increased the conversion of n-butyl acetate. The interaction effect of GHSV and temperature was more significant than the effect of concentration. Both of these affected the reaction by increasing the conversion of n-butyl acetate. Moisture had only a minor decreasing effect on the conversion, but it also decreased slightly the formation of by products. Ageing did not change the significance order of the above-mentioned parameters, however, the effects of individual parameters increased slightly as a function of ageing. PMID:18584032

A molecular dynamics study of model SI clathrate hydrates: the effect of guest size and guest-water interaction on decomposition kinetics.

PubMed

Das, Subhadip; Baghel, Vikesh Singh; Roy, Sudip; Kumar, Rajnish

2015-04-14

One of the options suggested for methane recovery from natural gas hydrates is molecular replacement of methane by suitable guests like CO2 and N2. This approach has been found to be feasible through many experimental and molecular dynamics simulation studies. However, the long term stability of the resultant hydrate needs to be evaluated; the decomposition rate of these hydrates is expected to depend on the interaction between these guest and water molecules. In this work, molecular dynamics simulation has been performed to illustrate the effect of guest molecules with different sizes and interaction strengths with water on structure I (SI) hydrate decomposition and hence the stability. The van der Waals interaction between water of hydrate cages and guest molecules is defined by Lennard Jones potential parameters. A wide range of parameter spaces has been scanned by changing the guest molecules in the SI hydrate, which acts as a model gas for occupying the small and large cages of the SI hydrate. All atomistic simulation results show that the stability of the hydrate is sensitive to the size and interaction of the guest molecules with hydrate water. The increase in the interaction of guest molecules with water stabilizes the hydrate, which in turn shows a slower rate of hydrate decomposition. Similarly guest molecules with a reasonably small (similar to Helium) or large size increase the decomposition rate. The results were also analyzed by calculating the structural order parameter to understand the dynamics of crystal structure and correlated with the release rate of guest molecules from the solid hydrate phase. The results have been explained based on the calculation of potential energies felt by guest molecules in amorphous water, hydrate bulk and hydrate-water interface regions.

Mixed Micelle System Produced by Interaction Between Transglycosylated Stevia and an Ionic Surfactant Improves Dissolution Profile of Mefenamic Acid.

PubMed

Fujimori, Miki; Kadota, Kazunori; Tozuka, Yuichi

2017-04-01

Transglycosylated stevia (stevia-G) can effectively improve the dissolution and bioavailability of poorly water-soluble drugs. Furthermore, addition of an ionic surfactant to stevia-G solution has been shown to enhance the dissolution effect of stevia-G on flurbiprofen. Herein, 4 surfactants, namely sodium dodecyl sulfate, sodium N-dodecanoylsarcosinate, sodium monododecyl phosphate, and lauryltrimethylammonium chloride (LTAC) were screened to investigate their synergistic effect with stevia-G in enhancing the solubility of mefenamic acid (MFA). The ternary formulation containing LTAC produced the highest increase in solubility, whereas the binary MFA/LTAC formulation did not increase the solubility of MFA. Surface tension was evaluated to analyze the interaction between stevia-G and each ionic surfactant, wherein the Rubingh model was applied to predict mixed micelle formation between stevia-G and LTAC. Interaction parameters calculated by the Rubingh model reflected mixed micelle formation between stevia-G and LTAC relative to the self-interactions of the 2 individual surfactants. All interaction parameters in this system showed negative values, indicating a favorable interaction (e.g., hydrogen bond or electrostatic and dipole) between binary components in the mixed micelles. Spray-dried particles of ternary formulations (MFA/stevia-G/LTAC) were prepared to evaluate the dissolution profile and physicochemical properties. Dissolution profiling showed that the concentration of MFA released from spray-dried particles was significantly higher than untreated MFA. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Influence of the Coulomb interaction on the exchange coupling in granular magnets.

PubMed

Udalov, O G; Beloborodov, I S

2017-04-20

We develop a theory of the exchange interaction between ferromagnetic (FM) metallic grains embedded into insulating matrix by taking into account the Coulomb blockade effects. For bulk ferromagnets separated by the insulating layer the exchange interaction strongly depends on the height and thickness of the tunneling barrier created by the insulator. We show that for FM grains embedded into insulating matrix the exchange coupling additionally depends on the dielectric properties of this matrix due to the Coulomb blockade effects. In particular, the FM coupling decreases with decreasing the dielectric permittivity of insulating matrix. We find that the change in the exchange interaction due to the Coulomb blockade effects can be a few tens of percent. Also, we study dependence of the intergrain exchange interaction on the grain size and other parameters of the system.

Charge Density Waves and the Hidden Nesting of Purple Bronze KMo6O17

NASA Astrophysics Data System (ADS)

Su, Lei; Pereira, Vitor

The layered purple bronze KMo6O17, with its robust triple CDW phase up to high temperatures, became the emblematic example of the ''hidden nesting'' concept. Recent experiments suggest that, on the surface layers, its CDW phase can be stabilized at much higher temperatures, and with a tenfold increase in the electronic gap in comparison with the bulk. Despite such interesting fermiology and properties, the K and Na purple bronzes remain largely unexplored systems, most particularly so at the theoretical level. We introduce the first multi-orbital effective tight-binding model to describe the effect of electron-electron interactions in this system. Upon fixing all the effective hopping parameters in the normal state against an ab-initio band structure, and with only the overall scale of the interactions as sole adjustable parameter, we find that a self-consistent Hartree-Fock solution reproduces extremely well the experimental behavior of the charge density wave (CDW) order parameter in the full range 0 < T < Tc , as well as the precise reciprocal space locations of the partial gap opening and Fermi arc development. The interaction strengths extracted from fitting to the experimental CDW gap are consistent with those derived from an independent Stoner-type analysis This work was supported by the Singapore National Research Foundation under Grant NRF-CRP6-2010-05.

The Two Faces of Social Interaction Reward in Animal Models of Drug Dependence.

PubMed

El Rawas, Rana; Saria, Alois

2016-03-01

Drug dependence is a serious health and social problem. Social factors can modify vulnerability to developing drug dependence, acting as risk factors or protective factors. Whereas stress and peer environment that encourage substance use may increase drug taking, strong attachments between family members and peer environment that do not experience drug use may protect against drug taking and, ultimately, drug dependence. The rewarding effects of drug abuse and social interaction can be evaluated using animal models. In this review we focus on evaluating social interaction reward in the conditioned place preference paradigm. We give an overview of how social interaction, if made available within the drug context, may facilitate, promote and interact with the drug's effects. However, social interaction, if offered alternatively outside the drug context, may have pronounced protective effects against drug abuse and relapse. We also address the importance of the weight difference parameter between the social partners in determining the positive or "agonistic" versus the hostile or "antagonistic" social interaction. We conclude that understanding social interaction reward and its subsequent effects on drug reward is sorely needed for therapeutic interventions against drug dependence.

Z boson mediated dark matter beyond the effective theory

DOE PAGES

Kearney, John; Orlofsky, Nicholas; Pierce, Aaron

2017-02-17

Here, direct detection bounds are beginning to constrain a very simple model of weakly interacting dark matter—a Majorana fermion with a coupling to the Z boson. In a particularly straightforward gauge-invariant realization, this coupling is introduced via a higher-dimensional operator. While attractive in its simplicity, this model generically induces a large ρ parameter. An ultraviolet completion that avoids an overly large contribution to ρ is the singlet-doublet model. We revisit this model, focusing on the Higgs blind spot region of parameter space where spin-independent interactions are absent. This model successfully reproduces dark matter with direct detection mediated by the Zmore » boson but whose cosmology may depend on additional couplings and states. Future direct detection experiments should effectively probe a significant portion of this parameter space, aside from a small coannihilating region. As such, Z-mediated thermal dark matter as realized in the singlet-doublet model represents an interesting target for future searches.« less

Weak Interactions Govern the Viscosity of Concentrated Antibody Solutions: High-Throughput Analysis Using the Diffusion Interaction Parameter

PubMed Central

Connolly, Brian D.; Petry, Chris; Yadav, Sandeep; Demeule, Barthélemy; Ciaccio, Natalie; Moore, Jamie M.R.; Shire, Steven J.; Gokarn, Yatin R.

2012-01-01

Weak protein-protein interactions are thought to modulate the viscoelastic properties of concentrated antibody solutions. Predicting the viscoelastic behavior of concentrated antibodies from their dilute solution behavior is of significant interest and remains a challenge. Here, we show that the diffusion interaction parameter (kD), a component of the osmotic second virial coefficient (B2) that is amenable to high-throughput measurement in dilute solutions, correlates well with the viscosity of concentrated monoclonal antibody (mAb) solutions. We measured the kD of 29 different mAbs (IgG1 and IgG4) in four different solvent conditions (low and high ion normality) and found a linear dependence between kD and the exponential coefficient that describes the viscosity concentration profiles (|R| ≥ 0.9). Through experimentally measured effective charge measurements, under low ion normality where the electroviscous effect can dominate, we show that the mAb solution viscosity is poorly correlated with the mAb net charge (|R| ≤ 0.6). With this large data set, our results provide compelling evidence in support of weak intermolecular interactions, in contrast to the notion that the electroviscous effect is important in governing the viscoelastic behavior of concentrated mAb solutions. Our approach is particularly applicable as a screening tool for selecting mAbs with desirable viscosity properties early during lead candidate selection. PMID:22828333

A comment on the validity of fragmentation parameters measured in nuclear emulsions. [cosmic ray nuclei

NASA Technical Reports Server (NTRS)

Waddington, C. J.

1978-01-01

Evidence is reexamined which has been cited as suggesting serious errors in the use of fragmentation parameters appropriate to an airlike medium deduced from measurements made in nuclear emulsions to evaluate corrections for certain effects in balloon-borne observations of cosmic-ray nuclei. Fragmentation parameters for hydrogenlike interactions are calculated and shown to be in overall good agreement with those obtained previously for air. Experimentally measured fragmentation parameters in emulsion are compared with values computed semiempirically, and reasonable agreement is indicated.

Fano effect dominance over Coulomb blockade in transport properties of parallel coupled quantum dot system

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

Brogi, Bharat Bhushan, E-mail: brogi-221179@yahoo.in; Ahluwalia, P. K.; Chand, Shyam

2015-06-24

Theoretical study of the Coulomb blockade effect on transport properties (Transmission Probability and I-V characteristics) for varied configuration of coupled quantum dot system has been studied by using Non Equilibrium Green Function(NEGF) formalism and Equation of Motion(EOM) method in the presence of magnetic flux. The self consistent approach and intra-dot Coulomb interaction is being taken into account. As the key parameters of the coupled quantum dot system such as dot-lead coupling, inter-dot tunneling and magnetic flux threading through the system can be tuned, the effect of asymmetry parameter and magnetic flux on this tuning is being explored in Coulomb blockademore » regime. The presence of the Coulomb blockade due to on-dot Coulomb interaction decreases the width of transmission peak at energy level ε + U and by adjusting the magnetic flux the swapping effect in the Fano peaks in asymmetric and symmetric parallel configuration sustains despite strong Coulomb blockade effect.« less

A Study of the Vacancy-Impurity Interaction in Dilute Nickel Alloys by Core Electron Annihilation

NASA Astrophysics Data System (ADS)

Arbuzov, V. L.; Danilov, S. E.; Druzhkov, A. P.

1997-08-01

It is shown that the angular correlation of annihilation radiation can be used to identify vacancy-impurity complexes in dilute alloys. Annihilation of trapped positrons with core electrons bears information about the chemical environment of a vacancy defect. The method is especially effective for d-matrices doped with sp-impurities since annihilation parameters of positrons with d- and sp-shell electrons differ considerably. The potentialities of the method of core-electron annihilation of positrons are demonstrated taking electron-irradiated dilute Ni-P and Ni-Si alloys as an example. It is shown that the interaction between the vacancies, which migrate at the III stage of annealing, and P atoms in Ni-P causes a considerable change in the annihilation parameters of positrons with core electrons compared to pure Ni. In Ni-Si alloys the annihilation parameters of trapped positrons with core electrons do not differ from those in Ni. This fact is an evidence that Si atoms do not interact with vacancies in Ni.

Three-dimensional modeling of the neutral gas depletion effect in a helicon discharge plasma

NASA Astrophysics Data System (ADS)

Kollasch, Jeffrey; Schmitz, Oliver; Norval, Ryan; Reiter, Detlev; Sovinec, Carl

2016-10-01

Helicon discharges provide an attractive radio-frequency driven regime for plasma, but neutral-particle dynamics present a challenge to extending performance. A neutral gas depletion effect occurs when neutrals in the plasma core are not replenished at a sufficient rate to sustain a higher plasma density. The Monte Carlo neutral particle tracking code EIRENE was setup for the MARIA helicon experiment at UW Madison to study its neutral particle dynamics. Prescribed plasma temperature and density profiles similar to those in the MARIA device are used in EIRENE to investigate the main causes of the neutral gas depletion effect. The most dominant plasma-neutral interactions are included so far, namely electron impact ionization of neutrals, charge exchange interactions of neutrals with plasma ions, and recycling at the wall. Parameter scans show how the neutral depletion effect depends on parameters such as Knudsen number, plasma density and temperature, and gas-surface interaction accommodation coefficients. Results are compared to similar analytic studies in the low Knudsen number limit. Plans to incorporate a similar Monte Carlo neutral model into a larger helicon modeling framework are discussed. This work is funded by the NSF CAREER Award PHY-1455210.

Power Hardware-in-the-Loop Testing of Multiple Photovoltaic Inverters' Volt-Var Control with Real-Time Grid Model

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

Chakraborty, Sudipta; Nelson, Austin; Hoke, Anderson

2016-12-12

Traditional testing methods fall short in evaluating interactions between multiple smart inverters providing advanced grid support functions due to the fact that such interactions largely depend on their placements on the electric distribution systems with impedances between them. Even though significant concerns have been raised by the utilities on the effects of such interactions, little effort has been made to evaluate them. In this paper, power hardware-in-the-loop (PHIL) based testing was utilized to evaluate autonomous volt-var operations of multiple smart photovoltaic (PV) inverters connected to a simple distribution feeder model. The results provided in this paper show that depending onmore » volt-var control (VVC) parameters and grid parameters, interaction between inverters and between the inverter and the grid is possible in some extreme cases with very high VVC slopes, fast response times and large VVC response delays.« less

Computational study of the shock driven instability of a multiphase particle-gas system

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

None, None

This paper considers the interaction of a shock wave with a multiphase particle-gas system which creates an instability somewhat similar to the Richtmyer-Meshkov instability but with a larger parameter space. Because this parameter space is large, we only present an introductory survey of the effects of many of these parameters. We highlight the effects of particle-gas coupling, incident shock strength, particle size, effective system density differences, and multiple particle relaxation time effects. We focus on dilute flows with mass loading up to 40% and do not attempt to cover all parametric combinations. Instead, we vary one parameter at a timemore » leaving additional parametric combinations for future work. The simulations are run with the Ares code, developed at Lawrence Livermore National Laboratory, which uses a multiphase particulate transport method to model two-way momentum and energy coupling. A brief validation of these models is presented and coupling effects are explored. It is shown that even for small particles, on the order of 1μm, multi-phase coupling effects are important and diminish the circulation deposition on the interface by up to 25%. These coupling effects are shown to create large temperature deviations from the dusty gas approximation, up to 20% greater, especially at higher shock strengths. It is also found that for a multiphase instability, the vortex sheet deposited at the interface separates into two sheets. In conclusion, depending on the particle and particle-gas Atwood numbers, the instability may be suppressed or enhanced by the interactions of these two vortex sheets.« less

Computational study of the shock driven instability of a multiphase particle-gas system

DOE PAGES

None, None

2016-02-01

This paper considers the interaction of a shock wave with a multiphase particle-gas system which creates an instability somewhat similar to the Richtmyer-Meshkov instability but with a larger parameter space. Because this parameter space is large, we only present an introductory survey of the effects of many of these parameters. We highlight the effects of particle-gas coupling, incident shock strength, particle size, effective system density differences, and multiple particle relaxation time effects. We focus on dilute flows with mass loading up to 40% and do not attempt to cover all parametric combinations. Instead, we vary one parameter at a timemore » leaving additional parametric combinations for future work. The simulations are run with the Ares code, developed at Lawrence Livermore National Laboratory, which uses a multiphase particulate transport method to model two-way momentum and energy coupling. A brief validation of these models is presented and coupling effects are explored. It is shown that even for small particles, on the order of 1μm, multi-phase coupling effects are important and diminish the circulation deposition on the interface by up to 25%. These coupling effects are shown to create large temperature deviations from the dusty gas approximation, up to 20% greater, especially at higher shock strengths. It is also found that for a multiphase instability, the vortex sheet deposited at the interface separates into two sheets. In conclusion, depending on the particle and particle-gas Atwood numbers, the instability may be suppressed or enhanced by the interactions of these two vortex sheets.« less

Computational study of the shock driven instability of a multiphase particle-gas system

NASA Astrophysics Data System (ADS)

McFarland, Jacob A.; Black, Wolfgang J.; Dahal, Jeevan; Morgan, Brandon E.

2016-02-01

This paper considers the interaction of a shock wave with a multiphase particle-gas system which creates an instability similar in some ways to the Richtmyer-Meshkov instability but with a larger parameter space. As this parameter space is large, we only present an introductory survey of the effects of many of these parameters. We highlight the effects of particle-gas coupling, incident shock strength, particle size, effective system density differences, and multiple particle relaxation time effects. We focus on dilute flows with mass loading up to 40% and do not attempt to cover all parametric combinations. Instead, we vary one parameter at a time leaving additional parametric combinations for future work. The simulations are run with the Ares code, developed at Lawrence Livermore National Laboratory, which uses a multiphase particulate transport method to model two-way momentum and energy coupling. A brief validation of these models is presented and coupling effects are explored. It is shown that even for small particles, on the order of 1 μm, multi-phase coupling effects are important and diminish the circulation deposition on the interface by up to 25%. These coupling effects are shown to create large temperature deviations from the dusty gas approximation, up to 20% greater, especially at higher shock strengths. It is also found that for a multiphase instability, the vortex sheet deposited at the interface separates into two sheets. Depending on the particle and particle-gas Atwood numbers, the instability may be suppressed or enhanced by the interactions of these two vortex sheets.

The genetic landscape of a physical interaction

PubMed Central

Diss, Guillaume

2018-01-01

A key question in human genetics and evolutionary biology is how mutations in different genes combine to alter phenotypes. Efforts to systematically map genetic interactions have mostly made use of gene deletions. However, most genetic variation consists of point mutations of diverse and difficult to predict effects. Here, by developing a new sequencing-based protein interaction assay – deepPCA – we quantified the effects of >120,000 pairs of point mutations on the formation of the AP-1 transcription factor complex between the products of the FOS and JUN proto-oncogenes. Genetic interactions are abundant both in cis (within one protein) and trans (between the two molecules) and consist of two classes – interactions driven by thermodynamics that can be predicted using a three-parameter global model, and structural interactions between proximally located residues. These results reveal how physical interactions generate quantitatively predictable genetic interactions. PMID:29638215

Effect of enzymatic deamidation of soy protein by protein-glutaminase on the flavor-binding properties of the protein under aqueous conditions.

PubMed

Suppavorasatit, Inthawoot; Cadwallader, Keith R

2012-08-15

The effect of the enzymatic deamidation by protein-glutaminase (PG) on flavor-binding properties of soy protein isolate (SPI) under aqueous conditions was evaluated by a modified equilibrium dialysis (ultrafiltration) technique. Binding parameters, such as number of binding sites (n) and binding constants (K), were derived from Klotz plots. The partial deamidation of SPI by PG (43.7% degree of deamidation) decreased overall flavor-binding affinity (nK) at 25 °C for both vanillin and maltol by approximately 9- and 4-fold, respectively. The thermodynamic parameters of binding indicated that the flavor-protein interactions were spontaneous (negative ΔG°) and that the driving force of the interactions shifted from entropy to enthalpy driven as a result of deamidation. Deamidation of soy protein caused a change in the mechanism of binding from hydrophobic interactions or covalent bonding (Schiff base formation) to weaker van der Waals forces or hydrogen bonding.

Tricriticality of the Blume-Emery-Griffiths model in thin films of stacked triangular lattices

NASA Astrophysics Data System (ADS)

El Hog, Sahbi; Diep, H. T.

2016-03-01

We study in this paper the Blume-Emery-Griffiths model in a thin film of stacked triangular lattices. The model is described by three parameters: bilinear exchange interaction between spins J, quadratic exchange interaction K and single-ion anisotropy D. The spin Si at the lattice site i takes three values (-1, 0, +1). This model can describe the mixing phase of He-4 (Si = +1,-1) and He-3 (Si = 0) at low temperatures. Using Monte Carlo simulations, we show that there exists a critical value of D below (above) which the transition is of second-(first-)order. In general, the temperature dependence of the concentrations of He-3 is different from layer by layer. At a finite temperature in the superfluid phase, the film surface shows a deficit of He-4 with respect to interior layers. However, effects of surface interaction parameters can reverse this situation. Effects of the film thickness on physical properties will be also shown as functions of temperature.

The effects of transverse magnetic field and local electronic interaction on thermoelectric properties of monolayer graphene

NASA Astrophysics Data System (ADS)

Rezania, Hamed; Azizi, Farshad

2018-02-01

We study the effects of a transverse magnetic field and electron doping on the thermoelectric properties of monolayer graphene in the context of Hubbard model at the antiferromagnetic sector. In particular, the temperature dependence of thermal conductivity and Seebeck coefficient has been investigated. Mean field approximation has been employed in order to obtain the electronic spectrum of the system in the presence of local electron-electron interaction. Our results show the peak in thermal conductivity moves to higher temperatures with increase of both chemical potential and Hubbard parameter. Moreover the increase of magnetic field leads to shift of peak in temperature dependence of thermal conductivity to higher temperatures. Finally the behavior of Seebeck coefficient in terms of temperature has been studied and the effects of magnetic field and Hubbard parameter on this coefficient have been investigated in details.

I PASS: an interactive policy analysis simulation system.

Treesearch

Doug Olson; Con Schallau; Wilbur Maki

1984-01-01

This paper describes an interactive policy analysis simulation system(IPASS) that can be used to analyze the long-term economic and demographic effects of alternative forest resource management policies. The IPASS model is a dynamic analytical tool that forecasts growth and development of an economy. It allows the user to introduce changes in selected parameters based...

Minimal nuclear energy density functional

NASA Astrophysics Data System (ADS)

Bulgac, Aurel; Forbes, Michael McNeil; Jin, Shi; Perez, Rodrigo Navarro; Schunck, Nicolas

2018-04-01

We present a minimal nuclear energy density functional (NEDF) called "SeaLL1" that has the smallest number of possible phenomenological parameters to date. SeaLL1 is defined by seven significant phenomenological parameters, each related to a specific nuclear property. It describes the nuclear masses of even-even nuclei with a mean energy error of 0.97 MeV and a standard deviation of 1.46 MeV , two-neutron and two-proton separation energies with rms errors of 0.69 MeV and 0.59 MeV respectively, and the charge radii of 345 even-even nuclei with a mean error ɛr=0.022 fm and a standard deviation σr=0.025 fm . SeaLL1 incorporates constraints on the equation of state (EoS) of pure neutron matter from quantum Monte Carlo calculations with chiral effective field theory two-body (NN ) interactions at the next-to-next-to-next-to leading order (N3LO) level and three-body (NNN ) interactions at the next-to-next-to leading order (N2LO) level. Two of the seven parameters are related to the saturation density and the energy per particle of the homogeneous symmetric nuclear matter, one is related to the nuclear surface tension, two are related to the symmetry energy and its density dependence, one is related to the strength of the spin-orbit interaction, and one is the coupling constant of the pairing interaction. We identify additional phenomenological parameters that have little effect on ground-state properties but can be used to fine-tune features such as the Thomas-Reiche-Kuhn sum rule, the excitation energy of the giant dipole and Gamow-Teller resonances, the static dipole electric polarizability, and the neutron skin thickness.

Minimal nuclear energy density functional

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

Bulgac, Aurel; Forbes, Michael McNeil; Jin, Shi

Inmore » this paper, we present a minimal nuclear energy density functional (NEDF) called “SeaLL1” that has the smallest number of possible phenomenological parameters to date. SeaLL1 is defined by seven significant phenomenological parameters, each related to a specific nuclear property. It describes the nuclear masses of even-even nuclei with a mean energy error of 0.97 MeV and a standard deviation of 1.46 MeV , two-neutron and two-proton separation energies with rms errors of 0.69 MeV and 0.59 MeV respectively, and the charge radii of 345 even-even nuclei with a mean error ε r = 0.022 fm and a standard deviation σ r = 0.025 fm . SeaLL1 incorporates constraints on the equation of state (EoS) of pure neutron matter from quantum Monte Carlo calculations with chiral effective field theory two-body ( NN ) interactions at the next-to-next-to-next-to leading order (N3LO) level and three-body ( NNN ) interactions at the next-to-next-to leading order (N2LO) level. Two of the seven parameters are related to the saturation density and the energy per particle of the homogeneous symmetric nuclear matter, one is related to the nuclear surface tension, two are related to the symmetry energy and its density dependence, one is related to the strength of the spin-orbit interaction, and one is the coupling constant of the pairing interaction. Finally, we identify additional phenomenological parameters that have little effect on ground-state properties but can be used to fine-tune features such as the Thomas-Reiche-Kuhn sum rule, the excitation energy of the giant dipole and Gamow-Teller resonances, the static dipole electric polarizability, and the neutron skin thickness.« less

Minimal nuclear energy density functional

DOE PAGES

Bulgac, Aurel; Forbes, Michael McNeil; Jin, Shi; ...

2018-04-17

Inmore » this paper, we present a minimal nuclear energy density functional (NEDF) called “SeaLL1” that has the smallest number of possible phenomenological parameters to date. SeaLL1 is defined by seven significant phenomenological parameters, each related to a specific nuclear property. It describes the nuclear masses of even-even nuclei with a mean energy error of 0.97 MeV and a standard deviation of 1.46 MeV , two-neutron and two-proton separation energies with rms errors of 0.69 MeV and 0.59 MeV respectively, and the charge radii of 345 even-even nuclei with a mean error ε r = 0.022 fm and a standard deviation σ r = 0.025 fm . SeaLL1 incorporates constraints on the equation of state (EoS) of pure neutron matter from quantum Monte Carlo calculations with chiral effective field theory two-body ( NN ) interactions at the next-to-next-to-next-to leading order (N3LO) level and three-body ( NNN ) interactions at the next-to-next-to leading order (N2LO) level. Two of the seven parameters are related to the saturation density and the energy per particle of the homogeneous symmetric nuclear matter, one is related to the nuclear surface tension, two are related to the symmetry energy and its density dependence, one is related to the strength of the spin-orbit interaction, and one is the coupling constant of the pairing interaction. Finally, we identify additional phenomenological parameters that have little effect on ground-state properties but can be used to fine-tune features such as the Thomas-Reiche-Kuhn sum rule, the excitation energy of the giant dipole and Gamow-Teller resonances, the static dipole electric polarizability, and the neutron skin thickness.« less

Complete set of essential parameters of an effective theory

NASA Astrophysics Data System (ADS)

Ioffe, M. V.; Vereshagin, V. V.

2018-04-01

The present paper continues the series [V. V. Vereshagin, True self-energy function and reducibility in effective scalar theories, Phys. Rev. D 89, 125022 (2014); , 10.1103/PhysRevD.89.125022A. Vereshagin and V. Vereshagin, Resultant parameters of effective theory, Phys. Rev. D 69, 025002 (2004); , 10.1103/PhysRevD.69.025002K. Semenov-Tian-Shansky, A. Vereshagin, and V. Vereshagin, S-matrix renormalization in effective theories, Phys. Rev. D 73, 025020 (2006), 10.1103/PhysRevD.73.025020] devoted to the systematic study of effective scattering theories. We consider matrix elements of the effective Lagrangian monomials (in the interaction picture) of arbitrary high dimension D and show that the full set of corresponding coupling constants contains parameters of both kinds: essential and redundant. Since it would be pointless to formulate renormalization prescriptions for redundant parameters, it is necessary to select the full set of the essential ones. This is done in the present paper for the case of the single scalar field.

Mixing of t2 g-eg orbitals in 4 d and 5 d transition metal oxides

NASA Astrophysics Data System (ADS)

Stamokostas, Georgios L.; Fiete, Gregory A.

2018-02-01

Using exact diagonalization, we study the spin-orbit coupling and interaction-induced mixing between t2 g and egd -orbital states in a cubic crystalline environment, as commonly occurs in transition metal oxides. We make a direct comparison with the widely used t2 g-only or eg-only models, depending on electronic filling. We consider all electron fillings of the d shell and compute the total magnetic moment, the spin, the occupancy of each orbital, and the effective spin-orbit coupling strength (renormalized through interaction effects) in terms of the bare interaction parameters, spin-orbit coupling, and crystal-field splitting, focusing on the parameter ranges relevant to 4 d and 5 d transition metal oxides. In various limits, we provide perturbative results consistent with our numerical calculations. We find that the t2 g-eg mixing can be large, with up to 20% occupation of orbitals that are nominally "empty," which has experimental implications for the interpretation of the branching ratio in experiments, and can impact the effective local moment Hamiltonian used to study magnetic phases and magnetic excitations in transition metal oxides. Our results can aid the theoretical interpretation of experiments on these materials, which often fall in a regime of intermediate coupling with respect to electron-electron interactions.

Space shuttle orbiter reaction control system jet interaction study

NASA Technical Reports Server (NTRS)

Rausch, J. R.

1975-01-01

The space shuttle orbiter has forward mounted and rear mounted Reaction Control Systems (RCS) which are used for orbital maneuvering and also provide control during entry and abort maneuvers in the atmosphere. The effects of interaction between the RCS jets and the flow over the vehicle in the atmosphere are studied. Test data obtained in the NASA Langley Research Center 31 inch continuous flow hypersonic tunnel at a nominal Mach number of 10.3 is analyzed. The data were obtained with a 0.01 scale force model with aft mounted RCS nozzles mounted on the sting off of the force model balance. The plume simulations were accomplished primarily using air in a cold gas simulation through scaled nozzles, however, various cold gas mixtures of Helium and Argon were also tested. The effect of number of nozzles was tested as were limited tests of combined controls. The data show that RCS nozzle exit momentum ratio is the primary correlating parameter for effects where the plume impinges on an adjacent surface and mass flow ratio is the parameter where the plume interaction is primarily with the external stream. An analytic model of aft mounted RCS units was developed in which the total reaction control moments are the sum of thrust, impingement, interaction, and cross-coupling terms.

Derivation of a hydrodynamic theory for mesoscale dynamics in microswimmer suspensions

NASA Astrophysics Data System (ADS)

Reinken, Henning; Klapp, Sabine H. L.; Bär, Markus; Heidenreich, Sebastian

2018-02-01

In this paper, we systematically derive a fourth-order continuum theory capable of reproducing mesoscale turbulence in a three-dimensional suspension of microswimmers. We start from overdamped Langevin equations for a generic microscopic model (pushers or pullers), which include hydrodynamic interactions on both small length scales (polar alignment of neighboring swimmers) and large length scales, where the solvent flow interacts with the order parameter field. The flow field is determined via the Stokes equation supplemented by an ansatz for the stress tensor. In addition to hydrodynamic interactions, we allow for nematic pair interactions stemming from excluded-volume effects. The results here substantially extend and generalize earlier findings [S. Heidenreich et al., Phys. Rev. E 94, 020601 (2016), 10.1103/PhysRevE.94.020601], in which we derived a two-dimensional hydrodynamic theory. From the corresponding mean-field Fokker-Planck equation combined with a self-consistent closure scheme, we derive nonlinear field equations for the polar and the nematic order parameter, involving gradient terms of up to fourth order. We find that the effective microswimmer dynamics depends on the coupling between solvent flow and orientational order. For very weak coupling corresponding to a high viscosity of the suspension, the dynamics of mesoscale turbulence can be described by a simplified model containing only an effective microswimmer velocity.

A simple two-system-parameter model for surface-effected warming of the planetary boundary layer

NASA Technical Reports Server (NTRS)

Otterman, J.

1990-01-01

The transabsorptivity concept which specifies the heat input into the PBL resulting from surface-atmosphere interactions is discussed. This concept is examined in terms of governing equations, and transabsorptivity is defined as the product of the surface absorptivity and the transfer efficiency. It is proposed that the climatic effects of surface changes be formulated in terms of changes in the transabsorptivity. A diagram of the surface-atmosphere interactions is provided.

In silico simulations of experimental protocols for cardiac modeling.

PubMed

Carro, Jesus; Rodriguez, Jose Felix; Pueyo, Esther

2014-01-01

A mathematical model of the AP involves the sum of different transmembrane ionic currents and the balance of intracellular ionic concentrations. To each ionic current corresponds an equation involving several effects. There are a number of model parameters that must be identified using specific experimental protocols in which the effects are considered as independent. However, when the model complexity grows, the interaction between effects becomes increasingly important. Therefore, model parameters identified considering the different effects as independent might be misleading. In this work, a novel methodology consisting in performing in silico simulations of the experimental protocol and then comparing experimental and simulated outcomes is proposed for parameter model identification and validation. The potential of the methodology is demonstrated by validating voltage-dependent L-type calcium current (ICaL) inactivation in recently proposed human ventricular AP models with different formulations. Our results show large differences between ICaL inactivation as calculated from the model equation and ICaL inactivation from the in silico simulations due to the interaction between effects and/or to the experimental protocol. Our results suggest that, when proposing any new model formulation, consistency between such formulation and the corresponding experimental data that is aimed at being reproduced needs to be first verified considering all involved factors.

NMR investigation of substituent effects on strength the intramolecular hydrogen bonding interaction in X-phenylhydrazones switches: A theoretical study

NASA Astrophysics Data System (ADS)

Gholipour, Alireza; Sadat Neyband, Razeih; Farhadi, Saeed

2017-05-01

We proved by computational NMR data the effect of electron-withdrawing and donating substituents on sbnd H⋯Nsbnd and sbnd H⋯Osbnd intramolecular hydrogen bond of the E and Z isomers in X-phenylhydrazones switches. These interactions were analyzed in detail in terms of the energetic and geometrical parameters properties. In addition, atoms in molecules (AIM) and natural bond orbital (NBO) were also employed to characterize the interactions and to examine the strengthening of the interactions. Computational results indicate an enhanced hydrogen bond for all substituted related to an unsubstituted case. There are good relationships between the NMR, AIM, NBO, energy data and Hammett constants.

Experimental design approach applied to the elimination of crystal violet in water by electrocoagulation with Fe or Al electrodes.

PubMed

Durango-Usuga, Paula; Guzmán-Duque, Fernando; Mosteo, Rosa; Vazquez, Mario V; Peñuela, Gustavo; Torres-Palma, Ricardo A

2010-07-15

An experimental design methodology was applied to evaluate the decolourization of crystal violet (CV) dye by electrocoagulation using iron or aluminium electrodes. The effects and interactions of four parameters, initial pH (3-9), current density (6-28 A m(-2)), substrate concentration (50-200 mg L(-1)) and supporting electrolyte concentration (284-1420 mg L(-1) of Na(2)SO(4)), were optimized and evaluated. Although the results using iron anodes were better than for aluminium, the effects and interactions of the studied parameters were quite similar. With a confidence level of 95%, initial pH and supporting electrolyte concentration showed limited effects on the removal rate of CV, whereas current density, pollutant concentration and the interaction of both were significant. Reduced models taking into account significant variables and interactions between variables have shown good correlations with the experimental results. Under optimal conditions, almost complete removal of CV and chemical oxygen demand were obtained after electrocoagulation for 5 and 30 min, using iron and aluminium electrodes, respectively. These results indicate that electrocoagulation with iron anodes is a rapid, economical and effective alternative to the complete removal of CV in waters. Evolutions of pH and residual iron or aluminium concentrations in solution are also discussed. 2010 Elsevier B.V. All rights reserved.

Combined effects of acidification and hypoxia on the estuarine ctenophore, Mnemiopsis leidyi

EPA Science Inventory

Estuaries are transitive zones which experience large fluctuations in environmental parameters (temperature, dissolved oxygen, pH, etc.). The interactive effects of reduced dissolved oxygen (DO) and elevated pCO2 on estuarine organisms is not currently well understood. Ctenophore...

Effect of grinding parameters on surface roughness and subsurface damage and their evaluation in fused silica.

PubMed

Xiao, Huapan; Chen, Zhi; Wang, Hairong; Wang, Jiuhong; Zhu, Nan

2018-02-19

Based on micro-indentation mechanics and kinematics of grinding processes, theoretical formulas are deduced to calculate surface roughness (SR) and subsurface damage (SSD) depth. The SRs and SSD depths of a series of fused silica samples, which are prepared under different grinding parameters, are measured. By experimental and theoretical analysis, the relationship between SR and SSD depth is discussed. The effect of grinding parameters on SR and SSD depth is investigated quantitatively. The results show that SR and SSD depth decrease with the increase of wheel speed or the decrease of feed speed as well as cutting depth. The interaction effect between wheel speed and feed speed should be emphasized greatly. Furthermore, a relationship model between SSD depth and grinding parameters is established, which could be employed to evaluate SSD depth efficiently.

Macroscopically constrained Wang-Landau method for systems with multiple order parameters and its application to drawing complex phase diagrams

NASA Astrophysics Data System (ADS)

Chan, C. H.; Brown, G.; Rikvold, P. A.

2017-05-01

A generalized approach to Wang-Landau simulations, macroscopically constrained Wang-Landau, is proposed to simulate the density of states of a system with multiple macroscopic order parameters. The method breaks a multidimensional random-walk process in phase space into many separate, one-dimensional random-walk processes in well-defined subspaces. Each of these random walks is constrained to a different set of values of the macroscopic order parameters. When the multivariable density of states is obtained for one set of values of fieldlike model parameters, the density of states for any other values of these parameters can be obtained by a simple transformation of the total system energy. All thermodynamic quantities of the system can then be rapidly calculated at any point in the phase diagram. We demonstrate how to use the multivariable density of states to draw the phase diagram, as well as order-parameter probability distributions at specific phase points, for a model spin-crossover material: an antiferromagnetic Ising model with ferromagnetic long-range interactions. The fieldlike parameters in this model are an effective magnetic field and the strength of the long-range interaction.

Study on superconducting state parameters of Cu1-xZrx metallic glasses using model potentials

NASA Astrophysics Data System (ADS)

Jambusarwala, Tasneem S.; Gajjar, P. N.

2018-05-01

The superconducting state parameters (SSP) of Cu1-xZrx metallic glasses over the full range of concentration x of Zr have been investigated to study influence of various local pseudopotentials. The study includes the computation of electron-phonon coupling strength (λ), transition temperature (TC), isotope effect exponent (α) and effective interaction strength (N0V) using fourteen different forms of local model potentials. The local field correction function proposed by Taylor (T) is used. The influence of model potential on various parameters is ranging from 6% to 83% for pure Zr and 28% to 84% for pure Cu. The present study confirms that the identification of model potential is vital in studying Superconducting State Parameters.

Analysis of the binding interaction in uric acid - Human hemoglobin system by spectroscopic techniques

NASA Astrophysics Data System (ADS)

Makarska-Bialokoz, Magdalena

2017-05-01

The binding interaction between human hemoglobin and uric acid has been studied for the first time, by UV-vis absorption and steady-state, synchronous and three-dimensional fluorescence techniques. Characteristic effects observed for human hemoglobin intrinsic fluorescence during interaction with uric acid at neutral pH point at the formation of stacking non-covalent and non-fluorescent complexes. All the calculated parameters, the binding, fluorescence quenching and bimolecular quenching rate constants, as well as Förster resonance energy transfer parameters confirm the existence of static quenching. The results of synchronous fluorescence measurements indicate that the fluorescence quenching of human hemoglobin originates both from Trp and Tyr residues and that the addition of uric acid could significantly hinder the physiological functions of human hemoglobin.

Self-assembly kinetics of microscale components: A parametric evaluation

NASA Astrophysics Data System (ADS)

Carballo, Jose M.

The goal of the present work is to develop, and evaluate a parametric model of a basic microscale Self-Assembly (SA) interaction that provides scaling predictions of process rates as a function of key process variables. At the microscale, assembly by "grasp and release" is generally challenging. Recent research efforts have proposed adapting nanoscale self-assembly (SA) processes to the microscale. SA offers the potential for reduced equipment cost and increased throughput by harnessing attractive forces (most commonly, capillary) to spontaneously assemble components. However, there are challenges for implementing microscale SA as a commercial process. The existing lack of design tools prevents simple process optimization. Previous efforts have characterized a specific aspect of the SA process. However, the existing microscale SA models do not characterize the inter-component interactions. All existing models have simplified the outcome of SA interactions as an experimentally-derived value specific to a particular configuration, instead of evaluating it outcome as a function of component level parameters (such as speed, geometry, bonding energy and direction). The present study parameterizes the outcome of interactions, and evaluates the effect of key parameters. The present work closes the gap between existing microscale SA models to add a key piece towards a complete design tool for general microscale SA process modeling. First, this work proposes a simple model for defining the probability of assembly of basic SA interactions. A basic SA interaction is defined as the event where a single part arrives on an assembly site. The model describes the probability of assembly as a function of kinetic energy, binding energy, orientation and incidence angle for the component and the assembly site. Secondly, an experimental SA system was designed, and implemented to create individual SA interactions while controlling process parameters independently. SA experiments measured the outcome of SA interactions, while studying the independent effects of each parameter. As a first step towards a complete scaling model, experiments were performed to evaluate the effects of part geometry and part travel direction under low kinetic energy conditions. Experimental results show minimal dependence of assembly yield on the incidence angle of the parts, and significant effects induced by changes in part geometry. The results from this work indicate that SA could be modeled as an energy-based process due to the small path dependence effects. Assembly probability is linearly related to the orientation probability. The proportionality constant is based on the area fraction of the sites with an amplification factor. This amplification factor accounts for the ability of capillary forces to align parts with only very small areas of contact when they have a low kinetic energy. Results provide unprecedented insight about SA interactions. The present study is a key step towards completing a basic model of a general SA process. Moreover, the outcome from this work can complement existing SA process models, in order to create a complete design tool for microscale SA systems. In addition to SA experiments, Monte Carlo simulations of experimental part-site interactions were conducted. This study confirmed that a major contributor to experimental variation is the stochastic nature of experimental SA interactions and the limited sample size of the experiments. Furthermore, the simulations serve as a tool for defining an optimum sampling strategy to minimize the uncertainty in future SA experiments.

Time Delay Effect in a Living Coupled Oscillator System with the Plasmodium of Physarum polycephalum

NASA Astrophysics Data System (ADS)

Takamatsu, Atsuko; Fujii, Teruo; Endo, Isao

2000-08-01

A living coupled oscillator system was constructed by a cell patterning method with a plasmodial slime mold, in which parameters such as coupling strength and distance between the oscillators can be systematically controlled. Rich oscillation phenomena between the two-coupled oscillators, namely, desynchronizing and antiphase/in-phase synchronization were observed according to these parameters. Both experimental and theoretical approaches showed that these phenomena are closely related to the time delay effect in interactions between the oscillators.

A Case Study on the Application of a Structured Experimental Method for Optimal Parameter Design of a Complex Control System

NASA Technical Reports Server (NTRS)

Torres-Pomales, Wilfredo

2015-01-01

This report documents a case study on the application of Reliability Engineering techniques to achieve an optimal balance between performance and robustness by tuning the functional parameters of a complex non-linear control system. For complex systems with intricate and non-linear patterns of interaction between system components, analytical derivation of a mathematical model of system performance and robustness in terms of functional parameters may not be feasible or cost-effective. The demonstrated approach is simple, structured, effective, repeatable, and cost and time efficient. This general approach is suitable for a wide range of systems.

The challenge of cardiac modeling--interaction and integration.

PubMed

Sideman, Samuel

2006-10-01

The goal of clinical cardiology is to obtain an integrated picture of the interacting parameters of muscle and vessel mechanics, blood circulation and myocardial perfusion, oxygen consumption and energy metabolism, and electrical activation and heart rate, thus relating to the true physiological and pathophysiological characteristics of the heart. Scientific insight into the cardiac physiology and performance is achieved by utilizing life sciences, for example, molecular biology, genetics and related intra- and intercellular phenomena, as well as the exact sciences, for example, mathematics, computer science, and related imaging and visualization techniques. The tools to achieve these goals are based on the intimate interactions between engineering science and medicine and the developments of modern, medically oriented technology. Most significant is the beneficiary effect of the globalization of science, the Internet, and the unprecedented international interaction and scientific cooperation in facing difficult multidisciplined challenges. This meeting aims to explore some important interactions in the cardiac system and relate to the integration of spatial and temporal interacting system parameters, so as to gain better insight into the structure and function of the cardiac system, thus leading to better therapeutic modalities.

Effect of P T symmetry on nonlinear waves for three-wave interaction models in the quadratic nonlinear media

NASA Astrophysics Data System (ADS)

Shen, Yujia; Wen, Zichao; Yan, Zhenya; Hang, Chao

2018-04-01

We study the three-wave interaction that couples an electromagnetic pump wave to two frequency down-converted daughter waves in a quadratic optical crystal and P T -symmetric potentials. P T symmetric potentials are shown to modulate stably nonlinear modes in two kinds of three-wave interaction models. The first one is a spatially extended three-wave interaction system with odd gain-and-loss distribution in the channel. Modulated by the P T -symmetric single-well or multi-well Scarf-II potentials, the system is numerically shown to possess stable soliton solutions. Via adiabatical change of system parameters, numerical simulations for the excitation and evolution of nonlinear modes are also performed. The second one is a combination of P T -symmetric models which are coupled via three-wave interactions. Families of nonlinear modes are found with some particular choices of parameters. Stable and unstable nonlinear modes are shown in distinct families by means of numerical simulations. These results will be useful to further investigate nonlinear modes in three-wave interaction models.

Interactions of praseodymium and neodymium with nucleosides and nucleotides: absorption difference and comparative absorption spectral study.

PubMed

Misra, S N; Anjaiah, K; Joseph, G; Abdi, S H

1992-02-01

The interactions of praseodymium(III) and neodymium(III) with nucleosides and nucleotides have been studied in different stoichiometry in water and water-DMF mixtures by employing absorption difference and comparative absorption spectrophotometry. The 4f-4f bands were analysed by linear curve analysis followed by gaussian curve analysis, and various spectral parameters were computed, using partial and multiple regression method. The magnitude of changes in both energy interaction and intensity were used to explore the degree of outer and inner sphere coordination, incidence of covalency and the extent of metal 4f-orbital involvement in chemical bonding. Crystalline complexes of the type [Ln(nucleotide)2(H2O)2]- (where nucleotide--GMP or IMP) were characterized by IR, 1H NMR, 31P NMR data. These studies indicated that the binding of the nucleotide is through phosphate oxygen in a bidentate manner and the complexes undergo substantial ionisation in aqueous medium, thereby supporting the observed weak 4f-4f bands and lower values for nephelauxetic effect (1-beta), bonding (b) and covalency (delta) parameters derived from coulombic and spin orbit interaction parameters.

Impact of alkaline alterations to a Brazilian soil on cesium retention under low temperature conditions.

PubMed

Calábria, Jaqueline Alves de Almeida; Cota, Stela Dalva Santos; de Morais, Gustavo Ferrari; Ladeira, Ana Cláudia Queiroz

2017-11-01

To be used as backfilling materials in radioactive waste disposal facilities, a natural material must have a suitable permeability, mechanical properties and a high sorption capacity for radionuclides. Also important when considering a material as a backfill is the effect of its interaction with the alkaline solution generated from concrete degradation. This solution promotes mineralogical alterations that result in significant changes in the material key properties influencing its performance as a safety component of the repository. This paper presents results of an investigation on the effect of alkaline interaction under a low temperature on cesium retention properties of a local soil being considered suitable as a backfill for the Brazilian near surface disposal facility. A sample of the Brazilian soil was mixed with an alkaline solution, simulating the pore water leached in the first stage of cement degradation, during 1, 7, 14 and 28 days. The experiments were conducted under low temperature (25 °C) aiming to evaluate similar conditions found on a low and intermediate level radioactive waste disposal installation. A non-classical isotherm sorption model was fitted to sorption data obtained from batch experiments, for unaltered and altered samples, providing parameters that allowed us to assess the effect of the interaction on material quality as Cs sorbent. The sorption parameters obtained from the data-fitted isotherm were used then to estimate the corresponding retardation factor (R). Alkaline interaction significantly modified the soil sorption properties for Cs. The parameter Q, related to the maximum sorption capacity, as well as the affinity parameter (K) and the retardation coefficients became significantly smaller (about 1000 times for the R coefficient) after pretreatment with the simulated alkaline solutions. Moreover, the increase in n-values, which is related with the energy distribution width and heterogeneity of surface site energies, demonstrated that the adsorbent surface became more homogenous as a consequence of the alkaline alteration. Together these results suggest that cementitious leachate has a profound effect on Cs retention and should be accounted for estimating radionuclide retention in radioactive waste disposal systems containing cementitious materials. Copyright © 2017 Elsevier Ltd. All rights reserved.

The role of electrostatics in protein-protein interactions of a monoclonal antibody.

PubMed

Roberts, D; Keeling, R; Tracka, M; van der Walle, C F; Uddin, S; Warwicker, J; Curtis, R

2014-07-07

Understanding how protein-protein interactions depend on the choice of buffer, salt, ionic strength, and pH is needed to have better control over protein solution behavior. Here, we have characterized the pH and ionic strength dependence of protein-protein interactions in terms of an interaction parameter kD obtained from dynamic light scattering and the osmotic second virial coefficient B22 measured by static light scattering. A simplified protein-protein interaction model based on a Baxter adhesive potential and an electric double layer force is used to separate out the contributions of longer-ranged electrostatic interactions from short-ranged attractive forces. The ionic strength dependence of protein-protein interactions for solutions at pH 6.5 and below can be accurately captured using a Deryaguin-Landau-Verwey-Overbeek (DLVO) potential to describe the double layer forces. In solutions at pH 9, attractive electrostatics occur over the ionic strength range of 5-275 mM. At intermediate pH values (7.25 to 8.5), there is a crossover effect characterized by a nonmonotonic ionic strength dependence of protein-protein interactions, which can be rationalized by the competing effects of long-ranged repulsive double layer forces at low ionic strength and a shorter ranged electrostatic attraction, which dominates above a critical ionic strength. The change of interactions from repulsive to attractive indicates a concomitant change in the angular dependence of protein-protein interaction from isotropic to anisotropic. In the second part of the paper, we show how the Baxter adhesive potential can be used to predict values of kD from fitting to B22 measurements, thus providing a molecular basis for the linear correlation between the two protein-protein interaction parameters.

Spatial trends in Pearson Type III statistical parameters

USGS Publications Warehouse

Lichty, R.W.; Karlinger, M.R.

1995-01-01

Spatial trends in the statistical parameters (mean, standard deviation, and skewness coefficient) of a Pearson Type III distribution of the logarithms of annual flood peaks for small rural basins (less than 90 km2) are delineated using a climate factor CT, (T=2-, 25-, and 100-yr recurrence intervals), which quantifies the effects of long-term climatic data (rainfall and pan evaporation) on observed T-yr floods. Maps showing trends in average parameter values demonstrate the geographically varying influence of climate on the magnitude of Pearson Type III statistical parameters. The spatial trends in variability of the parameter values characterize the sensitivity of statistical parameters to the interaction of basin-runoff characteristics (hydrology) and climate. -from Authors

Quantifying Parameter Sensitivity, Interaction and Transferability in Hydrologically Enhanced Versions of Noah-LSM over Transition Zones

NASA Technical Reports Server (NTRS)

Rosero, Enrique; Yang, Zong-Liang; Wagener, Thorsten; Gulden, Lindsey E.; Yatheendradas, Soni; Niu, Guo-Yue

2009-01-01

We use sensitivity analysis to identify the parameters that are most responsible for shaping land surface model (LSM) simulations and to understand the complex interactions in three versions of the Noah LSM: the standard version (STD), a version enhanced with a simple groundwater module (GW), and version augmented by a dynamic phenology module (DV). We use warm season, high-frequency, near-surface states and turbulent fluxes collected over nine sites in the US Southern Great Plains. We quantify changes in the pattern of sensitive parameters, the amount and nature of the interaction between parameters, and the covariance structure of the distribution of behavioral parameter sets. Using Sobol s total and first-order sensitivity indexes, we show that very few parameters directly control the variance of the model output. Significant parameter interaction occurs so that not only the optimal parameter values differ between models, but the relationships between parameters change. GW decreases parameter interaction and appears to improve model realism, especially at wetter sites. DV increases parameter interaction and decreases identifiability, implying it is overparameterized and/or underconstrained. A case study at a wet site shows GW has two functional modes: one that mimics STD and a second in which GW improves model function by decoupling direct evaporation and baseflow. Unsupervised classification of the posterior distributions of behavioral parameter sets cannot group similar sites based solely on soil or vegetation type, helping to explain why transferability between sites and models is not straightforward. This evidence suggests a priori assignment of parameters should also consider climatic differences.

Modelling the evaporation of nanoparticle suspensions from heterogeneous surfaces

NASA Astrophysics Data System (ADS)

Chalmers, C.; Smith, R.; Archer, A. J.

2017-07-01

We present a Monte Carlo (MC) grid-based model for the drying of drops of a nanoparticle suspension upon a heterogeneous surface. The model consists of a generalised lattice-gas in which the interaction parameters in the Hamiltonian can be varied to model different properties of the materials involved. We show how to correctly choose the interactions, to minimise the effects of the underlying grid so that hemispherical droplets form. We also include the effects of surface roughness to examine the effects of contact-line pinning on the dynamics. When there is a ‘lid’ above the system, which prevents evaporation, equilibrium drops form on the surface, which we use to determine the contact angle and how it varies as the parameters of the model are changed. This enables us to relate the interaction parameters to the materials used in applications. The model has also been applied to drying on heterogeneous surfaces, in particular to the case where the suspension is deposited on a surface consisting of a pair of hydrophilic conducting metal surfaces that are either side of a band of hydrophobic insulating polymer. This situation occurs when using inkjet printing to manufacture electrical connections between the metallic parts of the surface. The process is not always without problems, since the liquid can dewet from the hydrophobic part of the surface, breaking the bridge before the drying process is complete. The MC model reproduces the observed dewetting, allowing the parameters to be varied so that the conditions for the best connection can be established. We show that if the hydrophobic portion of the surface is located at a step below the height of the neighbouring metal, the chance of dewetting of the liquid during the drying process is significantly reduced.

Interaction of a turbulent vortex with a lifting surface

NASA Technical Reports Server (NTRS)

Lee, D. J.; Roberts, L.

1985-01-01

The impulsive noise due to blade-vortex-interaction is analyzing in the time domain for the extreme case when the blade cuts through the center of the vortex core with the assumptions of no distortion of the vortex path or of the vortex core. An analytical turbulent vortex core model, described in terms of the tip aerodynamic parameters, is used and its effects on the unsteady loading and maximum acoustic pressure during the interaction are determined.

Effect of thermal history on Mossbauer signature and hyperfine interaction parameters of copper ferrite

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

Modi, K. B., E-mail: kunalbmodi2003@yahoo.com; Raval, P. Y.; Dulera, S. V.

Two specimens of copper ferrite, CuFe{sub 2}O{sub 4}, have been synthesized by double sintering ceramic technique with different thermal history i.e. slow cooled and quenched. X-ray diffractometry has confirmed single phase fcc spinel structure for slow cooled sample while tetragonal distortion is present in quenched sample. Mossbauer spectral analysis for slow-cooled copper ferrite reveals super position of two Zeeman split sextets along with paramagnetic singlet in the centre position corresponds to delafossite (CuFeO{sub 2}) phase that is completely absent in quenched sample. The hyperfine interaction parameters are highly influenced by heat treatment employed.

A theoretical study of interaction effects on the remanence curves of particulate dispersions

NASA Astrophysics Data System (ADS)

Fearon, M.; Chantrell, R. W.; Wohlfarth, E. P.

1990-05-01

The remanence curves of strongly interacting fine-particle systems are investigated theoretically. It is shown that the Henkel plot of the dc demagnetisation remanence vs. the isothermal remanence is a useful representation of interactions. The form of the plot is found to be a reflection of the magnetic and physical microstructure of the material, which is consistent with experimental data. The relationship between the Henkel plot and the noise of a particulate recording medium, another property dependent on the microstructure, is also considered. The Interaction Field Factor (IFF), a single parameter characterising the non-linearity of the Henkel plot, is also investigated. The results are consistent with a previous experimental study. Finally, the effect of interactions on the Switching Field Distribution are investigated.

Multifield stochastic particle production: beyond a maximum entropy ansatz

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

Amin, Mustafa A.; Garcia, Marcos A.G.; Xie, Hong-Yi

2017-09-01

We explore non-adiabatic particle production for N {sub f} coupled scalar fields in a time-dependent background with stochastically varying effective masses, cross-couplings and intervals between interactions. Under the assumption of weak scattering per interaction, we provide a framework for calculating the typical particle production rates after a large number of interactions. After setting up the framework, for analytic tractability, we consider interactions (effective masses and cross couplings) characterized by series of Dirac-delta functions in time with amplitudes and locations drawn from different distributions. Without assuming that the fields are statistically equivalent, we present closed form results (up to quadratures) formore » the asymptotic particle production rates for the N {sub f}=1 and N {sub f}=2 cases. We also present results for the general N {sub f} >2 case, but with more restrictive assumptions. We find agreement between our analytic results and direct numerical calculations of the total occupation number of the produced particles, with departures that can be explained in terms of violation of our assumptions. We elucidate the precise connection between the maximum entropy ansatz (MEA) used in Amin and Baumann (2015) and the underlying statistical distribution of the self and cross couplings. We provide and justify a simple to use (MEA-inspired) expression for the particle production rate, which agrees with our more detailed treatment when the parameters characterizing the effective mass and cross-couplings between fields are all comparable to each other. However, deviations are seen when some parameters differ significantly from others. We show that such deviations become negligible for a broad range of parameters when N {sub f}>> 1.« less

Effects of Pulse Parameters on Weld Microstructure and Mechanical Properties of Extra Pulse Current Aided Laser Welded 2219 Aluminum Alloy Joints.

PubMed

Zhang, Xinge; Li, Liqun; Chen, Yanbin; Yang, Zhaojun; Chen, Yanli; Guo, Xinjian

2017-09-15

In order to expand the application range of laser welding and improve weld quality, an extra pulse current was used to aid laser-welded 2219 aluminum alloy, and the effects of pulse current parameters on the weld microstructure and mechanical properties were investigated. The effect mechanisms of the pulse current interactions with the weld pool were evaluated. The results indicated that the coarse dendritic structure in the weld zone changed to a fine equiaxed structure using an extra pulse current, and the pulse parameters, including medium peak current, relatively high pulse frequency, and low pulse duty ratio benefited to improving the weld structure. The effect mechanisms of the pulse current were mainly ascribed to the magnetic pinch effect, thermal effect, and electromigration effect caused by the pulse current. The effect of the pulse parameters on the mechanical properties of welded joints were consistent with that of the weld microstructure. The tensile strength and elongation of the optimal pulse current-aided laser-welded joint increased by 16.4% and 105%, respectively, compared with autogenous laser welding.

Effects of Pulse Parameters on Weld Microstructure and Mechanical Properties of Extra Pulse Current Aided Laser Welded 2219 Aluminum Alloy Joints

PubMed Central

Zhang, Xinge; Li, Liqun; Chen, Yanbin; Yang, Zhaojun; Chen, Yanli; Guo, Xinjian

2017-01-01

In order to expand the application range of laser welding and improve weld quality, an extra pulse current was used to aid laser-welded 2219 aluminum alloy, and the effects of pulse current parameters on the weld microstructure and mechanical properties were investigated. The effect mechanisms of the pulse current interactions with the weld pool were evaluated. The results indicated that the coarse dendritic structure in the weld zone changed to a fine equiaxed structure using an extra pulse current, and the pulse parameters, including medium peak current, relatively high pulse frequency, and low pulse duty ratio benefited to improving the weld structure. The effect mechanisms of the pulse current were mainly ascribed to the magnetic pinch effect, thermal effect, and electromigration effect caused by the pulse current. The effect of the pulse parameters on the mechanical properties of welded joints were consistent with that of the weld microstructure. The tensile strength and elongation of the optimal pulse current-aided laser-welded joint increased by 16.4% and 105%, respectively, compared with autogenous laser welding. PMID:28914825

Association of parameter, software, and hardware variation with large-scale behavior across 57,000 climate models

PubMed Central

Knight, Christopher G.; Knight, Sylvia H. E.; Massey, Neil; Aina, Tolu; Christensen, Carl; Frame, Dave J.; Kettleborough, Jamie A.; Martin, Andrew; Pascoe, Stephen; Sanderson, Ben; Stainforth, David A.; Allen, Myles R.

2007-01-01

In complex spatial models, as used to predict the climate response to greenhouse gas emissions, parameter variation within plausible bounds has major effects on model behavior of interest. Here, we present an unprecedentedly large ensemble of >57,000 climate model runs in which 10 parameters, initial conditions, hardware, and software used to run the model all have been varied. We relate information about the model runs to large-scale model behavior (equilibrium sensitivity of global mean temperature to a doubling of carbon dioxide). We demonstrate that effects of parameter, hardware, and software variation are detectable, complex, and interacting. However, we find most of the effects of parameter variation are caused by a small subset of parameters. Notably, the entrainment coefficient in clouds is associated with 30% of the variation seen in climate sensitivity, although both low and high values can give high climate sensitivity. We demonstrate that the effect of hardware and software is small relative to the effect of parameter variation and, over the wide range of systems tested, may be treated as equivalent to that caused by changes in initial conditions. We discuss the significance of these results in relation to the design and interpretation of climate modeling experiments and large-scale modeling more generally. PMID:17640921

Effects of the Orion Launch Abort Vehicle Plumes on Aerodynamics and Controllability

NASA Technical Reports Server (NTRS)

Vicker, Darby; Childs, Robert; Rogers,Stuart E.; McMullen, Matthew; Garcia, Joseph; Greathouse, James

2013-01-01

Characterization of the launch abort system of the Multi-purpose Crew Vehicle (MPCV) for control design and accurate simulation has provided a significant challenge to aerodynamicists and design engineers. The design space of the launch abort vehicle (LAV) includes operational altitudes from ground level to approximately 300,000 feet, Mach numbers from 0-9, and peak dynamic pressure near 1300psf during transonic flight. Further complicating the characterization of the aerodynamics and the resultant vehicle controllability is the interaction of the vehicle flowfield with the plumes of the two solid propellant motors that provide attitude control and the main propulsive impulse for the LAV. These interactions are a function of flight parameters such as Mach number, altitude, dynamic pressure, vehicle attitude, as well as parameters relating to the operation of the motors themselves - either as a function of time for the AM, or as a result of the flight control system requests for control torque from the ACM. This paper discusses the computational aerodynamic modeling of the aerodynamic interaction caused by main abort motor and the attitude control motor of the MPCV LAV, showing the effects of these interactions on vehicle controllability.

Detecting treatment-subgroup interactions in clustered data with generalized linear mixed-effects model trees.

PubMed

Fokkema, M; Smits, N; Zeileis, A; Hothorn, T; Kelderman, H

2017-10-25

Identification of subgroups of patients for whom treatment A is more effective than treatment B, and vice versa, is of key importance to the development of personalized medicine. Tree-based algorithms are helpful tools for the detection of such interactions, but none of the available algorithms allow for taking into account clustered or nested dataset structures, which are particularly common in psychological research. Therefore, we propose the generalized linear mixed-effects model tree (GLMM tree) algorithm, which allows for the detection of treatment-subgroup interactions, while accounting for the clustered structure of a dataset. The algorithm uses model-based recursive partitioning to detect treatment-subgroup interactions, and a GLMM to estimate the random-effects parameters. In a simulation study, GLMM trees show higher accuracy in recovering treatment-subgroup interactions, higher predictive accuracy, and lower type II error rates than linear-model-based recursive partitioning and mixed-effects regression trees. Also, GLMM trees show somewhat higher predictive accuracy than linear mixed-effects models with pre-specified interaction effects, on average. We illustrate the application of GLMM trees on an individual patient-level data meta-analysis on treatments for depression. We conclude that GLMM trees are a promising exploratory tool for the detection of treatment-subgroup interactions in clustered datasets.

Plasmonic complex fluids of nematiclike and helicoidal self-assemblies of gold nanorods with a negative order parameter.

PubMed

Liu, Qingkun; Senyuk, Bohdan; Tang, Jianwei; Lee, Taewoo; Qian, Jun; He, Sailing; Smalyukh, Ivan I

2012-08-24

We describe a soft matter system of self-organized oblate micelles and plasmonic gold nanorods that exhibit a negative orientational order parameter. Because of anisotropic surface anchoring interactions, colloidal gold nanorods tend to align perpendicular to the director describing the average orientation of normals to the discoidal micelles. Helicoidal structures of highly concentrated nanorods with a negative order parameter are realized by adding a chiral additive and are further controlled by means of confinement and mechanical stress. Polarization-sensitive absorption, scattering, and two-photon luminescence are used to characterize orientations and spatial distributions of nanorods. Self-alignment and effective-medium optical properties of these hybrid inorganic-organic complex fluids match predictions of a simple model based on anisotropic surface anchoring interactions of nanorods with the structured host medium.

Transitions of interaction outcomes in a uni-directional consumer-resource system

USGS Publications Warehouse

Wang, Y.; DeAngelis, D.L.

2011-01-01

A uni-directional consumer-resource system of two species is analyzed. Our aim is to understand the mechanisms that determine how the interaction outcomes depend on the context of the interaction; that is, on the model parameters. The dynamic behavior of the model is described and, in particular, it is demonstrated that no periodic orbits exist. Then the parameter (factor) space is shown to be divided into four regions, which correspond to the four forms of interaction outcomes; i.e. mutualism, commensalism, parasitism and amensalism. It is shown that the interaction outcomes of the system transition smoothly among these four forms when the parameters of the system are varied continuously. Varying each parameter individually or varying pairs of parameters can also lead to smooth transitions between the interaction outcomes. The analysis leads to both conditions for which each species achieves its maximal density, and situations in which periodic oscillations of the interaction outcomes emerge. ?? 2011 Elsevier Ltd.

Performance of buried pipe installation.

DOT National Transportation Integrated Search

2010-05-01

The purpose of this study is to determine the effects of geometric and mechanical parameters : characterizing the soil structure interaction developed in a buried pipe installation located under : roads/highways. The drainage pipes or culverts instal...

The Two Faces of Social Interaction Reward in Animal Models of Drug Dependence

PubMed Central

Rawas, Rana El

2016-01-01

Drug dependence is a serious health and social problem. Social factors can modify vulnerability to developing drug dependence, acting as risk factors or protective factors. Whereas stress and peer environment that encourage substance use may increase drug taking, strong attachments between family members and peer environment that do not experience drug use may protect against drug taking and, ultimately, drug dependence. The rewarding effects of drug abuse and social interaction can be evaluated using animal models. In this review we focus on evaluating social interaction reward in the conditioned place preference paradigm. We give an overview of how social interaction, if made available within the drug context, may facilitate, promote and interact with the drug’s effects. However, social interaction, if offered alternatively outside the drug context, may have pronounced protective effects against drug abuse and relapse. We also address the importance of the weight difference parameter between the social partners in determining the positive or “agonistic” versus the hostile or “antagonistic” social interaction. We conclude that understanding social interaction reward and its subsequent effects on drug reward is sorely needed for therapeutic interventions against drug dependence. PMID:26088685

Random crystal field effect on the magnetic and hysteresis behaviors of a spin-1 cylindrical nanowire

NASA Astrophysics Data System (ADS)

Zaim, N.; Zaim, A.; Kerouad, M.

2017-02-01

In this work, the magnetic behavior of the cylindrical nanowire, consisting of a ferromagnetic core of spin-1 atoms surrounded by a ferromagnetic shell of spin-1 atoms is studied in the presence of a random crystal field interaction. Based on Metropolis algorithm, the Monte Carlo simulation has been used to investigate the effects of the concentration of the random crystal field p, the crystal field D and the shell exchange interaction Js on the phase diagrams and the hysteresis behavior of the system. Some characteristic behaviors have been found, such as the first and second-order phase transitions joined by tricritical point for appropriate values of the system parameters, triple and isolated critical points can be also found. Depending on the Hamiltonian parameters, single, double and para hysteresis regions are explicitly determined.

The Role of Solvent-Solute Interactions on The Behavior of Low Molecular Mass Organo-Gelators

NASA Astrophysics Data System (ADS)

Cavicchi, Kevin; Feng, Li

2012-02-01

Low molecular mass organo-gelators (LMOGs) are a class of small molecules that can self-assemble in organic solvents to form three-dimensional fibrillar networks. This has a profound effect on the viscoelastic properties of the solution causing physical gelation. These gels have uses in a range of industries including cosmetics, foodstuffs, plastics, petroleum and pharmaceuticals. A fundamental question in this field is: What makes a good LMOG? This talk will discuss the relationships between the viscoelastic properties and thermodynamic phase behavior of LMOG/solvent solutions. The regular solution model was used to fit the liquidus line and sol/gel transition temperature vs. concentration in different solvents to determine LMOG-solvent interaction parameters (χ = A/T). This parameter A was found to scale with the solubility parameter of the solvent, especially for non-polar solvents. This demonstrates that gelation is strongly linked to LMOG solubility and indicates that the bulk thermodynamic parameters of the LMOG (solubility parameter and melting temperature) are useful to predict the solution behavior of LMOGs.

Near-Global Survey of Cloud Column Susceptibilities Using ISCCP Data

NASA Technical Reports Server (NTRS)

Han, Qingyuan; Rossow, William B.; Chou, Joyce; Welch, Ronald M.; Hansen, James E. (Technical Monitor)

2000-01-01

A new parameter, cloud column susceptibility, is introduced to study the aerosol indirect effect. There are several advantages of this new parameter in comparison with the traditional cloud susceptibility. First, no assumptions about constant liquid water content and cloud layer thickness are required in calculations so that errors caused by these assumptions can be avoided. Second, no a priori knowledge of liquid water content is necessary in remote sensing, which makes global survey by satellite data possible even though liquid water content may change significantly. Third, this new parameter can deal with variations of cloud geometrical thickness during cloud-aerosol interactions, which are evidenced by Without assuming how cloud droplet size will respond to changes of number concentration, this new parameter describes the aerosol indirect effect more directly. It addresses the question of how cloud albedo changes with increasing column number concentrations of cloud droplets, which is resulted from cloud-aerosol interactions. In this study, two approaches are used to retrieve cloud column susceptibility by satellite data. The results of both approaches show a striking contrast of cloud column susceptibilities between continental and maritime. Between the two approaches, the one that uses no assumption of constant liquid water content leads to smaller, some times even negative, cloud column susceptibilities. This finding suggests that the aerosol indirect effect may be overestimated if the assumption of constant liquid water content is used in model studies.

The 4-parameter Compressible Packing Model (CPM) including a critical cavity size ratio

NASA Astrophysics Data System (ADS)

Roquier, Gerard

2017-06-01

The 4-parameter Compressible Packing Model (CPM) has been developed to predict the packing density of mixtures constituted by bidisperse spherical particles. The four parameters are: the wall effect and the loosening effect coefficients, the compaction index and a critical cavity size ratio. The two geometrical interactions have been studied theoretically on the basis of a spherical cell centered on a secondary class bead. For the loosening effect, a critical cavity size ratio, below which a fine particle can be inserted into a small cavity created by touching coarser particles, is introduced. This is the only parameter which requires adaptation to extend the model to other types of particles. The 4-parameter CPM demonstrates its efficiency on frictionless glass beads (300 values), spherical particles numerically simulated (20 values), round natural particles (125 values) and crushed particles (335 values) with correlation coefficients equal to respectively 99.0%, 98.7%, 97.8%, 96.4% and mean deviations equal to respectively 0.007, 0.006, 0.007, 0.010.

Comparing the Robustness of High-Frequency Traveling-Wave Tube Slow-Wave Circuits

NASA Technical Reports Server (NTRS)

Chevalier, Christine T.; Wilson, Jeffrey D.; Kory, Carol L.

2007-01-01

A three-dimensional electromagnetic field simulation software package was used to compute the cold-test parameters, phase velocity, on-axis interaction impedance, and attenuation, for several high-frequency traveling-wave tube slow-wave circuit geometries. This research effort determined the effects of variations in circuit dimensions on cold-test performance. The parameter variations were based on the tolerances of conventional micromachining techniques.

Nonlinear equations of motion for Landau resonance interactions with a whistler mode wave

NASA Technical Reports Server (NTRS)

Inan, U. S.; Tkalcevic, S.

1982-01-01

A simple set of equations is presented for the description of the cyclotron averaged motion of Landau resonant particles in a whistler mode wave propagating at an angle to the static magnetic field. A comparison is conducted of the wave magnetic field and electric field effects for the parameters of the magnetosphere, and the parameter ranges for which the wave magnetic field effects would be negligible are determined. It is shown that the effect of the wave magnetic field can be neglected for low pitch angles, high normal wave angles, and/or high normalized wave frequencies.

Interactions of galaxies outside clusters and massive groups

NASA Astrophysics Data System (ADS)

Yadav, Jaswant K.; Chen, Xuelei

2018-06-01

We investigate the dependence of physical properties of galaxies on small- and large-scale density environment. The galaxy population consists of mainly passively evolving galaxies in comparatively low-density regions of Sloan Digital Sky Survey (SDSS). We adopt (i) local density, ρ _{20}, derived using adaptive smoothing kernel, (ii) projected distance, r_p, to the nearest neighbor galaxy and (iii) the morphology of the nearest neighbor galaxy as various definitions of environment parameters of every galaxy in our sample. In order to detect long-range interaction effects, we group galaxy interactions into four cases depending on morphology of the target and neighbor galaxies. This study builds upon an earlier study by Park and Choi (2009) by including improved definitions of target and neighbor galaxies, thus enabling us to better understand the effect of "the nearest neighbor" interaction on the galaxy. We report that the impact of interaction on galaxy properties is detectable at least up to the pair separation corresponding to the virial radius of (the neighbor) galaxies. This turns out to be mostly between 210 and 360 h^{-1}kpc for galaxies included in our study. We report that early type fraction for isolated galaxies with r_p > r_{vir,nei} is almost ignorant of the background density and has a very weak density dependence for closed pairs. Star formation activity of a galaxy is found to be crucially dependent on neighbor galaxy morphology. We find star formation activity parameters and structure parameters of galaxies to be independent of the large-scale background density. We also exhibit that changing the absolute magnitude of the neighbor galaxies does not affect significantly the star formation activity of those target galaxies whose morphology and luminosities are fixed.

Parameter Estimation of Computationally Expensive Watershed Models Through Efficient Multi-objective Optimization and Interactive Decision Analytics

NASA Astrophysics Data System (ADS)

Akhtar, Taimoor; Shoemaker, Christine

2016-04-01

Watershed model calibration is inherently a multi-criteria problem. Conflicting trade-offs exist between different quantifiable calibration criterions indicating the non-existence of a single optimal parameterization. Hence, many experts prefer a manual approach to calibration where the inherent multi-objective nature of the calibration problem is addressed through an interactive, subjective, time-intensive and complex decision making process. Multi-objective optimization can be used to efficiently identify multiple plausible calibration alternatives and assist calibration experts during the parameter estimation process. However, there are key challenges to the use of multi objective optimization in the parameter estimation process which include: 1) multi-objective optimization usually requires many model simulations, which is difficult for complex simulation models that are computationally expensive; and 2) selection of one from numerous calibration alternatives provided by multi-objective optimization is non-trivial. This study proposes a "Hybrid Automatic Manual Strategy" (HAMS) for watershed model calibration to specifically address the above-mentioned challenges. HAMS employs a 3-stage framework for parameter estimation. Stage 1 incorporates the use of an efficient surrogate multi-objective algorithm, GOMORS, for identification of numerous calibration alternatives within a limited simulation evaluation budget. The novelty of HAMS is embedded in Stages 2 and 3 where an interactive visual and metric based analytics framework is available as a decision support tool to choose a single calibration from the numerous alternatives identified in Stage 1. Stage 2 of HAMS provides a goodness-of-fit measure / metric based interactive framework for identification of a small subset (typically less than 10) of meaningful and diverse set of calibration alternatives from the numerous alternatives obtained in Stage 1. Stage 3 incorporates the use of an interactive visual analytics framework for decision support in selection of one parameter combination from the alternatives identified in Stage 2. HAMS is applied for calibration of flow parameters of a SWAT model, (Soil and Water Assessment Tool) designed to simulate flow in the Cannonsville watershed in upstate New York. Results from the application of HAMS to Cannonsville indicate that efficient multi-objective optimization and interactive visual and metric based analytics can bridge the gap between the effective use of both automatic and manual strategies for parameter estimation of computationally expensive watershed models.

Effective one body approach to the dynamics of two spinning black holes with next-to-leading order spin-orbit coupling

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

Damour, Thibault; Jaranowski, Piotr; Schaefer, Gerhard

2008-07-15

Using a recent, novel Hamiltonian formulation of the gravitational interaction of spinning binaries, we extend the effective one body (EOB) description of the dynamics of two spinning black holes to next-to-leading order (NLO) in the spin-orbit interaction. The spin-dependent EOB Hamiltonian is constructed from four main ingredients: (i) a transformation between the 'effective' Hamiltonian and the 'real' one; (ii) a generalized effective Hamilton-Jacobi equation involving higher powers of the momenta; (iii) a Kerr-type effective metric (with Pade-resummed coefficients) which depends on the choice of some basic 'effective spin vector' S{sub eff}, and which is deformed by comparable-mass effects; and (iv)more » an additional effective spin-orbit interaction term involving another spin vector {sigma}. As a first application of the new, NLO spin-dependent EOB Hamiltonian, we compute the binding energy of circular orbits (for parallel spins) as a function of the orbital frequency, and of the spin parameters. We also study the characteristics of the last stable circular orbit: binding energy, orbital frequency, and the corresponding dimensionless spin parameter a{sub LSO}{identical_to}cJ{sub LSO}/(G(H{sub LSO}/c{sup 2}){sup 2}). We find that the inclusion of NLO spin-orbit terms has a significant 'moderating' effect on the dynamical characteristics of the circular orbits for large and parallel spins.« less

Autoresonant excitation of Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Batalov, S. V.; Shagalov, A. G.; Friedland, L.

2018-03-01

Controlling the state of a Bose-Einstein condensate driven by a chirped frequency perturbation in a one-dimensional anharmonic trapping potential is discussed. By identifying four characteristic time scales in this chirped-driven problem, three dimensionless parameters P1 ,2 ,3 are defined describing the driving strength, the anharmonicity of the trapping potential, and the strength of the particles interaction, respectively. As the driving frequency passes the linear resonance in the problem, and depending on the location in the P1 ,2 ,3 parameter space, the system may exhibit two very different evolutions, i.e., the quantum energy ladder climbing (LC) and the classical autoresonance (AR). These regimes are analyzed both in theory and simulations with the emphasis on the effect of the interaction parameter P3. In particular, the transition thresholds on the driving parameter P1 and their width in P1 in both the AR and LC regimes are discussed. Different driving protocols are also illustrated, showing efficient control of excitation and deexcitation of the condensate.

Thermodynamic curvature for a two-parameter spin model with frustration.

PubMed

Ruppeiner, George; Bellucci, Stefano

2015-01-01

Microscopic models of realistic thermodynamic systems usually involve a number of parameters, not all of equal macroscopic relevance. We examine a decorated (1+3) Ising spin chain containing two microscopic parameters: a stiff parameter K mediating the long-range interactions, and a sloppy J operating within local spin groups. We show that K dominates the macroscopic behavior, with varying J having only a weak effect, except in regions where J brings about transitions between phases through its conditioning of the local spin groups with which K interacts. We calculate the heat capacity C(H), the magnetic susceptibility χ(T), and the thermodynamic curvature R. For large |J/K|, we identify four magnetic phases: ferromagnetic, antiferromagnetic, and two ferrimagnetic, according to the signs of K and J. We argue that for characterizing these phases, the strongest picture is offered by the thermodynamic geometric invariant R, proportional to the correlation length ξ. This picture has correspondences to other cases, such as fluids.

Evolution of non-interacting entropic dark energy and its phantom nature

NASA Astrophysics Data System (ADS)

Mathew, Titus K.; Murali, Chinthak; Shejeelammal, J.

2016-04-01

Assuming the form of the entropic dark energy (EDE) as it arises from the surface term in the Einstein-Hilbert’s action, its evolution was analyzed in an expanding flat universe. The model parameters were evaluated by constraining the model using the Union data on Type Ia supernovae. We found that in the non-interacting case, the model predicts an early decelerated phase and a later accelerated phase at the background level. The evolutions of the Hubble parameter, dark energy (DE) density, equation of state parameter and deceleration parameter were obtained. The model hardly seems to be supporting the linear perturbation growth for the structure formation. We also found that the EDE shows phantom nature for redshifts z < 0.257. During the phantom epoch, the model predicts big rip effect at which both the scale factor of expansion and the DE density become infinitely large and the big rip time is found to be around 36 Giga years from now.

Modal interaction in linear dynamic systems near degenerate modes

NASA Technical Reports Server (NTRS)

Afolabi, D.

1991-01-01

In various problems in structural dynamics, the eigenvalues of a linear system depend on a characteristic parameter of the system. Under certain conditions, two eigenvalues of the system approach each other as the characteristic parameter is varied, leading to modal interaction. In a system with conservative coupling, the two eigenvalues eventually repel each other, leading to the curve veering effect. In a system with nonconservative coupling, the eigenvalues continue to attract each other, eventually colliding, leading to eigenvalue degeneracy. Modal interaction is studied in linear systems with conservative and nonconservative coupling using singularity theory, sometimes known as catastrophe theory. The main result is this: eigenvalue degeneracy is a cause of instability; in systems with conservative coupling, it induces only geometric instability, whereas in systems with nonconservative coupling, eigenvalue degeneracy induces both geometric and elastic instability. Illustrative examples of mechanical systems are given.

Dissipation and quantization for composite systems

NASA Astrophysics Data System (ADS)

Blasone, Massimo; Jizba, Petr; Scardigli, Fabio; Vitiello, Giuseppe

2009-11-01

In the framework of 't Hooft's quantization proposal, we show how to obtain from the composite system of two classical Bateman's oscillators a quantum isotonic oscillator. In a specific range of parameters, such a system can be interpreted as a particle in an effective magnetic field, interacting through a spin-orbit interaction term. In the limit of a large separation from the interaction region one can describe the system in terms of two irreducible elementary subsystems which correspond to two independent quantum harmonic oscillators.

Multiscale Asymptotics for the Skeleton of the Madden-Julian Oscillation and Tropical-Extratropical Interactions (Open Access)

DTIC Science & Technology

2015-11-30

equatorial baroclinic dynamics, and (iii) the interactive effects of moisture and convection. More specifically, the model integrates the dry...interactions 5 Par. Derivation Dim. val. Description β 2.3× 10−11 m−1s−1 Variation of Coriolis parameter with latitude θ0 300 K Potential temperature...tropical Coriolis force, and x and y denote the zonal and meridional coordinates. Without the moisture q and convection envelope a, system (1) is the two

Vector breather-to-soliton transitions and nonlinear wave interactions induced by higher-order effects in an erbium-doped fiber

NASA Astrophysics Data System (ADS)

Sun, Wen-Rong; Wang, Lei; Xie, Xi-Yang

2018-06-01

Vector breather-to-soliton transitions for the higher-order nonlinear Schrödinger-Maxwell-Bloch (NLS-MB) system with sextic terms are investigated. The Lax pair and Darboux transformation (DT) of such system are constructed. With the DT, analytic vector breather solutions up to the second order are obtained. With appropriate choices of the spectra parameters, vector breather-to-soliton transitions happen. Interaction mechanisms of vector nonlinear waves (breather-soliton or soliton-soliton interactions) are displayed.

Event reweighting with the NuWro neutrino interaction generator

NASA Astrophysics Data System (ADS)

Pickering, Luke; Stowell, Patrick; Sobczyk, Jan

2017-09-01

Event reweighting has been implemented in the NuWro neutrino event generator for a number of free theory parameters in the interaction model. Event reweighting is a key analysis technique, used to efficiently study the effect of neutrino interaction model uncertainties. This opens up the possibility for NuWro to be used as a primary event generator by experimental analysis groups. A preliminary model tuning to ANL and BNL data of quasi-elastic and single pion production events was performed to validate the reweighting engine.

Comparative pharmacodynamic analysis of imidazoline compounds using rat model of ocular mydriasis with a test of quantitative structure-activity relationships.

PubMed

Raczak-Gutknecht, Joanna; Nasal, Antoni; Frąckowiak, Teresa; Kornicka, Anita; Sączewski, Franciszek; Wawrzyniak, Renata; Kubik, Łukasz; Kaliszan, Roman

2017-09-10

Imidazol(in)e derivatives, having the chemical structure similar to clonidine, exert diverse pharmacological activities connected with their interactions with alpha2-adrenergic receptors, e.g. hypotension, bradycardia, sedation as well as antinociceptive, anxiolytic, antiarrhythmic, muscle relaxant and mydriatic effects. The mechanism of pupillary dilation observed after systemic administration of imidazol(in)es to rats, mice and cats depends on the stimulation of postsynaptic alpha2-adrenoceptors within the brain. It was proved that the central nervous system (CNS)-localized I1-imidazoline receptors are not engaged in those effects. It appeared interesting to analyze the CNS-mediated pharmacodynamics of imidazole(in)e agents in terms of their chromatographic and calculation chemistry-derived parameters. In the present study a systematic determination and comparative pharmacometric analysis of mydriatic effects in rats were performed on a series of 20 imidazol(in)e agents, composed of the well-known drugs and of the substances used in experimental pharmacology. The eye pupil dilatory activities of the compounds were assessed in anesthetized Wistar rats according to the established Koss method. Among twenty imidazol(in)e derivatives studied, 18 produced diverse dose-dependent mydriatic effects. In the quantitative structure-activity relationships (QSAR) analysis, the pharmacological data (half maximum mydriatic effect - ED 50 in μmol/kg) were considered along with the structural parameters of the agents from molecular modeling. The theoretically calculated lipophilicity parameters, CLOGP, of imidazol(in)es, as well as their lipophilicity parameters from HPLC, logk w , were also considered. The attempts to derive statistically significant QSAR equations for a full series of the agents under study were unsuccessful. However, for a subgroup of eight apparently structurally related imidazol(in)es a significant relationship between log(1/ED 50 ) and logk w values was obtained. The lack of "predictive" QSAR for the whole series of the structurally diverse agents is probably due to a complex mechanism of the ligand-alpha2-adrenergic receptor interactions, which are predominantly of a highly structurally specific polar nature. Such interactions are difficult to quantify with the established chemical structural descriptors, contrary to the less specific, molecular bulkiness-related interactions. Copyright © 2017 Elsevier B.V. All rights reserved.

An Improved Lattice Boltzmann Model for Non-Newtonian Flows with Applications to Solid-Fluid Interactions in External Flows

NASA Astrophysics Data System (ADS)

Adam, Saad; Premnath, Kannan

2016-11-01

Fluid mechanics of non-Newtonian fluids, which arise in numerous settings, are characterized by non-linear constitutive models that pose certain unique challenges for computational methods. Here, we consider the lattice Boltzmann method (LBM), which offers some computational advantages due to its kinetic basis and its simpler stream-and-collide procedure enabling efficient simulations. However, further improvements are necessary to improve its numerical stability and accuracy for computations involving broader parameter ranges. Hence, in this study, we extend the cascaded LBM formulation by modifying its moment equilibria and relaxation parameters to handle a variety of non-Newtonian constitutive equations, including power-law and Bingham fluids, with improved stability. In addition, we include corrections to the moment equilibria to obtain an inertial frame invariant scheme without cubic-velocity defects. After preforming its validation study for various benchmark flows, we study the physics of non-Newtonian flow over pairs of circular and square cylinders in a tandem arrangement, especially the wake structure interactions and their effects on resulting forces in each cylinder, and elucidate the effect of the various characteristic parameters.

Effective material parameter retrieval of anisotropic elastic metamaterials with inherent nonlocality

NASA Astrophysics Data System (ADS)

Lee, Hyung Jin; Lee, Heung Son; Ma, Pyung Sik; Kim, Yoon Young

2016-09-01

In this paper, the scattering (S-) parameter retrieval method is presented specifically for anisotropic elastic metamaterials; so far, no retrieval has been accomplished when elastic metamaterials exhibit fully anisotropic behavior. Complex constitutive property and intrinsic scattering behavior of elastic metamaterials make their characterization far more complicated than that for acoustic and electromagnetic metamaterials. In particular, elastic metamaterials generally exhibit anisotropic scattering behavior due to higher scattering modes associated with shear deformation. They also exhibit nonlocal responses to some degrees, which originate from strong multiple scattering interactions even in the long wavelength limit. Accordingly, the conventional S-parameter retrieval methods cannot be directly used for elastic metamaterials, because they determine only the diagonal components in effective tensor property. Also, the conventional methods simply use the analytic inversion formulae for the material characterization so that inherent nonlocality cannot be taken into account. To establish a retrieval method applicable to anisotropic elastic metamaterials, we propose an alternative S-parameter method to deal with full anisotropy of elastic metamaterials. To retrieve the whole effective anisotropic parameter, we utilize not only normal but also oblique wave incidences. For the retrieval, we first retrieve the ratio of the effective stiffness tensor to effective density and then determine the effective density. The proposed retrieval method is validated by characterizing the effective material parameters of various types of non-resonant anisotropic metamaterials. It is found that the whole effective parameters are retrieved consistently regardless of used retrieval conditions in spite of inherent nonlocality.

Design of bearings for rotor systems based on stability

NASA Technical Reports Server (NTRS)

Dhar, D.; Barrett, L. E.; Knospe, C. R.

1992-01-01

Design of rotor systems incorporating stable behavior is of great importance to manufacturers of high speed centrifugal machinery since destabilizing mechanisms (from bearings, seals, aerodynamic cross coupling, noncolocation effects from magnetic bearings, etc.) increase with machine efficiency and power density. A new method of designing bearing parameters (stiffness and damping coefficients or coefficients of the controller transfer function) is proposed, based on a numerical search in the parameter space. The feedback control law is based on a decentralized low order controller structure, and the various design requirements are specified as constraints in the specification and parameter spaces. An algorithm is proposed for solving the problem as a sequence of constrained 'minimax' problems, with more and more eigenvalues into an acceptable region in the complex plane. The algorithm uses the method of feasible directions to solve the nonlinear constrained minimization problem at each stage. This methodology emphasizes the designer's interaction with the algorithm to generate acceptable designs by relaxing various constraints and changing initial guesses interactively. A design oriented user interface is proposed to facilitate the interaction.

Two interacting current model of holographic Dirac fluid in graphene

NASA Astrophysics Data System (ADS)

Rogatko, Marek; Wysokinski, Karol I.

2018-02-01

The electrons in graphene for energies close to the Dirac point have been found to form strongly interacting fluid. Taking this fact into account we have extended previous work on the transport properties of graphene by taking into account possible interactions between the currents and adding the external magnetic field directed perpendicularly to the graphene sheet. The perpendicular magnetic field B severely modifies the transport parameters. In the present approach the quantization of the spectrum and formation of Landau levels is ignored. Gauge/gravity duality has been used in the probe limit. The dependence on the charge density of the Seebeck coefficient and thermoelectric parameters αi j nicely agree with recent experimental data for graphene. The holographic model allows for the interpretation of one of the fields representing the currents as resulting from the dark matter sector. For the studied geometry with electric field perpendicular to the thermal gradient the effect of the dark sector has been found to modify the transport parameters but mostly in a quantitative way only. This makes difficult the detection of this elusive component of the Universe by studying transport properties of graphene.

Karpman-Washimi magnetization with electron-exchange effects in quantum plasmas

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

Hong, Woo-Pyo; Jamil, M.; Rasheed, A.

2015-07-15

The influence of quantum electron-exchange on the Karpman-Washimi ponderomotive magnetization is investigated in quantum plasmas. The ponderomotive magnetization and the total radiation power due to the non-stationary Karpman-Washimi interaction related to the time-varying field intensity are obtained as functions of the de Broglie wave length, Debye length, and electron-exchange parameter. The result shows that the electron-exchange effect enhances the cyclotron frequency due to the ponderomotive interactions in quantum plasmas. It is also shown that the electron-exchange effect on the Karpman-Washimi magnetization increases with increasing wave number. In addition, the Karpman-Washimi magnetization and the total radiation power increase with an increasemore » in the ratio of the Debye length to the de Broglie wave length. In streaming quantum plasmas, it is shown that the electron-exchange effect enhances the ponderomotive magnetization below the resonant wave number and, however, suppresses the ponderomotive magnetization above the resonant wave number. The variation of the Karpman-Washimi magnetization and the radiation power due to the variation of the electron-exchange effect and plasma parameters is also discussed.« less

Earth-Moon system: Dynamics and parameter estimation

NASA Technical Reports Server (NTRS)

Breedlove, W. J., Jr.

1979-01-01

The following topics are discussed: (1) the Unified Model of Lunar Translation/Rotation (UMLTR); (2) the effect of figure-figure interactions on lunar physical librations; (3) the effect of translational-rotational coupling on the lunar orbit; and(4) an error analysis for estimating lunar inertias from LURE (Lunar Laser Ranging Experiment) data.

Performance evaluation of buried pipe installation.

DOT National Transportation Integrated Search

2010-05-01

The purpose of this study is to determine the effects of geometric and mechanical parameters characterizing the soil structure interaction developed in a buried pipe installation located under roads/highways. The drainage pipes or culverts installed ...

Renormalization of effective interactions in a negative charge transfer insulator

NASA Astrophysics Data System (ADS)

Seth, Priyanka; Peil, Oleg E.; Pourovskii, Leonid; Betzinger, Markus; Friedrich, Christoph; Parcollet, Olivier; Biermann, Silke; Aryasetiawan, Ferdi; Georges, Antoine

2017-11-01

We compute from first principles the effective interaction parameters appropriate for a low-energy description of the rare-earth nickelate LuNiO3 involving the partially occupied eg states only. The calculation uses the constrained random-phase approximation and reveals that the effective on-site Coulomb repulsion is strongly reduced by screening effects involving the oxygen-p and nickel-t2 g states. The long-range component of the effective low-energy interaction is also found to be sizable. As a result, the effective on-site interaction between parallel-spin electrons is reduced down to a small negative value. This validates effective low-energy theories of these materials that were proposed earlier. Electronic structure methods combined with dynamical mean-field theory are used to construct and solve an appropriate low-energy model and explore its phase diagram as a function of the on-site repulsion and Hund's coupling. For the calculated values of these effective interactions, we find that in agreement with experiments, LuNiO3 is a metal without disproportionation of the eg occupancy when considered in its orthorhombic structure, while the monoclinic phase is a disproportionated insulator.

Influence of renormalization shielding on the electron-impact ionization process in dense partially ionized plasmas

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

Song, Mi-Young; Yoon, Jung-Sik; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr

2015-04-15

The renormalization shielding effects on the electron-impact ionization of hydrogen atom are investigated in dense partially ionized plasmas. The effective projectile-target interaction Hamiltonian and the semiclassical trajectory method are employed to obtain the transition amplitude as well as the ionization probability as functions of the impact parameter, the collision energy, and the renormalization parameter. It is found that the renormalization shielding effect suppresses the transition amplitude for the electron-impact ionization process in dense partially ionized plasmas. It is also found that the renormalization effect suppresses the differential ionization cross section in the peak impact parameter region. In addition, it ismore » found that the influence of renormalization shielding on the ionization cross section decreases with an increase of the relative collision energy. The variations of the renormalization shielding effects on the electron-impact ionization cross section are also discussed.« less

Universal relations for range corrections to Efimov features

DOE PAGES

Ji, Chen; Braaten, Eric; Phillips, Daniel R.; ...

2015-09-09

In a three-body system of identical bosons interacting through a large S-wave scattering length a, there are several sets of features related to the Efimov effect that are characterized by discrete scale invariance. Effective field theory was recently used to derive universal relations between these Efimov features that include the first-order correction due to a nonzero effective range r s. We reveal a simple pattern in these range corrections that had not been previously identified. The pattern is explained by the renormalization group for the effective field theory, which implies that the Efimov three-body parameter runs logarithmically with the momentummore » scale at a rate proportional to r s/a. The running Efimov parameter also explains the empirical observation that range corrections can be largely taken into account by shifting the Efimov parameter by an adjustable parameter divided by a. Furthermore, the accuracy of universal relations that include first-order range corrections is verified by comparing them with various theoretical calculations using models with nonzero range.« less

Investigating the nature of chiral near-field interactions

NASA Astrophysics Data System (ADS)

Barr, Lauren E.; Horsley, Simon A. R.; Hooper, Ian R.; Eager, Jake K.; Gallagher, Cameron P.; Hornett, Samuel M.; Hibbins, Alastair P.; Hendry, Euan

2018-04-01

In recent years, there have been reports of enhanced chiroptical interactions in the near-fields of antennas, postulated to be mediated by high spatial gradients in the electromagnetic fields. Here, using gigahertz experimentation, we investigate the nature of the chiral near-field generated by an array of staggered-rod antennas through its interaction with an array of aligned, subwavelength metallic helices. This allows us to eliminate many potential origins of enhancements, such as those associated with plasmon-exciton interactions, and search solely for enhancements due to the high spatial gradients in the chirality of the fields around chiral antennas (so-called `superchiral fields'). By comparing the strength of the chiral interaction with our helices to that of a homogeneous chiral layer with effective material parameters, we find that the strength of this chiral interaction can be predicted using a completely local effective medium approximation. This suggests no obvious enhancement in the chiral interaction in the near-field and indicates that nonlocal interactions are negligible in this system.

Repulsive four-body interactions of α particles and quasistable nuclear α -particle condensates in heavy self-conjugate nuclei

NASA Astrophysics Data System (ADS)

Bai, Dong; Ren, Zhongzhou

2018-05-01

We study the effects of repulsive four-body interactions of α particles on nuclear α -particle condensates in heavy self-conjugate nuclei using a semianalytic approach, and find that the repulsive four-body interactions could decrease the critical number of α particles, beyond which quasistable α -particle condensate states can no longer exist, even if these four-body interactions make only tiny contributions to the total energy of the Hoyle-like state of 16O. Explicitly, we study eight benchmark parameter sets, and find that the critical number Ncr decreases by |Δ Ncr|˜1 -4 from Ncr˜11 with vanishing four-body interactions. We also discuss the effects of four-body interactions on energies and radii of α -particle condensates. Our study can be useful for future experiments to study α -particle condensates in heavy self-conjugate nuclei. Also, the experimental determination of Ncr will eventually help establish a better understanding on the α -particle interactions, especially the four-body interactions.

Scheme for quantum state manipulation in coupled cavities

NASA Astrophysics Data System (ADS)

Lin, Jin-Zhong

By controlling the parameters of the system, the effective interaction between different atoms is achieved in different cavities. Based on the interaction, scheme to generate three-atom Greenberger-Horne-Zeilinger (GHZ) is proposed in coupled cavities. Spontaneous emission of excited states and decay of cavity modes can be suppressed efficiently. In addition, the scheme is robust against the variation of hopping rate between cavities.

Effect of Interaction on the Majorana Zero Modes in the Kitaev Chain at Half Filling

NASA Astrophysics Data System (ADS)

Li, Zhidan; Han, Qiang

2018-04-01

The one dimension interacting Kitaev chain at half filling is studied. The symmetry of the Hamiltonian is examined by dual transformations and various physical quantities as functions of the fermion-fermion interaction $U$ are calculated systematically using the density matrix renormalization group method. A special value of interaction $U_p$ is revealed in the topological region of the phase diagram. We show that at $U_p$ the ground states are strictly two-fold degenerate even though the chain length is finite and the zero-energy peak due to the Majorana zero modes is maximally enhanced and exactly localized at the end sites. $U_p$ may be attractive or repulsive depending on other system parameters. We also give a qualitative understanding of the effect of interaction under the self-consistent mean field framework.

Effects of anisotropic electron-ion interactions in atomic photoelectron angular distributions

NASA Technical Reports Server (NTRS)

Dill, D.; Starace, A. F.; Manson, S. T.

1974-01-01

The photoelectron asymmetry parameter beta in LS-coupling is obtained as an expansion into contributions from alternative angular momentum transfers j sub t. The physical significance of this expansion of beta is shown to be that: (1) the electric dipole interaction transfers to the atom a charcteristic single angular momentum j sub t = sub o, where sub o is the photoelectron's initial orbital momentum; and (2) angular momentum transfers indicate the presence of anisotropic interaction of the outgoing photoelectron with the residual ion. For open shell atoms the photoelectron-ion interaction is generally anisotropic; photoelectron phase shifts and electric dipole matrix elements depend on both the multiplet term of the residual ion and the total orbital momentum of the ion-photoelectron final state channel. Consequently beta depends on the term levels of the residual ion and contains contributions from all allowed values of j sub t. Numerical calculations of the asymmetry parameters and partial cross sections for photoionization of atomic sulfur are presented.

Domain size polydispersity effects on the structural and dynamical properties in lipid monolayers with phase coexistence.

PubMed

Rufeil-Fiori, Elena; Banchio, Adolfo J

2018-03-07

In lipid monolayers with phase coexistence, domains of the liquid-condensed phase always present size polydispersity. However, very few theoretical works consider size distribution effects on the monolayer properties. Because of the difference in surface densities, domains have excess dipolar density with respect to the surrounding liquid expanded phase, originating a dipolar inter-domain interaction. This interaction depends on the domain area, and hence the presence of a domain size distribution is associated with interaction polydispersity. Inter-domain interactions are fundamental to understanding the structure and dynamics of the monolayer. For this reason, it is expected that polydispersity significantly alters monolayer properties. By means of Brownian dynamics simulations, we study the radial distribution function (RDF), the average mean square displacement and the average time-dependent self-diffusion coefficient, D(t), of lipid monolayers with normally distributed size domains. For this purpose, we vary the relevant system parameters, polydispersity and interaction strength, within a range of experimental interest. We also analyze the consequences of using a monodisperse model to determine the interaction strength from an experimental RDF. We find that polydispersity strongly affects the value of the interaction strength, which is greatly underestimated if polydispersity is not considered. However, within a certain range of parameters, the RDF obtained from a polydisperse model can be well approximated by that of a monodisperse model, by suitably fitting the interaction strength, even for 40% polydispersities. For small interaction strengths or small polydispersities, the polydisperse systems obtained from fitting the experimental RDF have an average mean square displacement and D(t) in good agreement with that of the monodisperse system.

Interaction and energy transfer studies between bovine serum albumin and CdTe quantum dots conjugates: CdTe QDs as energy acceptor probes.

PubMed

Kotresh, M G; Inamdar, L S; Shivkumar, M A; Adarsh, K S; Jagatap, B N; Mulimani, B G; Advirao, G M; Inamdar, S R

2017-06-01

In this paper, a systematic investigation of the interaction of bovine serum albumin (BSA) with water-soluble CdTe quantum dots (QDs) of two different sizes capped with carboxylic thiols is presented based on steady-state and time-resolved fluorescence measurements. Efficient Förster resonance energy transfer (FRET) was observed to occur from BSA donor to CdTe acceptor as noted from reduction in the fluorescence of BSA and enhanced fluorescence from CdTe QDs. FRET parameters such as Förster distance, spectral overlap integral, FRET rate constant and efficiency were determined. The quenching of BSA fluorescence in aqueous solution observed in the presence of CdTe QDs infers that fluorescence resonance energy transfer is primarily responsible for the quenching phenomenon. Bimolecular quenching constant (k q ) determined at different temperatures and the time-resolved fluorescence data provide additional evidence for this. The binding stoichiometry and various thermodynamic parameters are evaluated by using the van 't Hoff equation. The analysis of the results suggests that the interaction between BSA and CdTe QDs is entropy driven and hydrophobic forces play a key role in the interaction. Binding of QDs significantly shortened the fluorescence lifetime of BSA which is one of the hallmarks of FRET. The effect of size of the QDs on the FRET parameters are discussed in the light of FRET parameters obtained. Copyright © 2016 John Wiley & Sons, Ltd.

Fluid-structure interaction analysis of the flow through a stenotic aortic valve

NASA Astrophysics Data System (ADS)

Maleki, Hoda; Labrosse, Michel R.; Durand, Louis-Gilles; Kadem, Lyes

2009-11-01

In Europe and North America, aortic stenosis (AS) is the most frequent valvular heart disease and cardiovascular disease after systemic hypertension and coronary artery disease. Understanding blood flow through an aortic stenosis and developing new accurate non-invasive diagnostic parameters is, therefore, of primarily importance. However, simulating such flows is highly challenging. In this study, we considered the interaction between blood flow and the valve leaflets and compared the results obtained in healthy valves with stenotic ones. One effective method to model the interaction between the fluid and the structure is to use Arbitrary Lagrangian-Eulerian (ALE) approach. Our two-dimensional model includes appropriate nonlinear and anisotropic materials. It is loaded during the systolic phase by applying pressure curves to the fluid domain at the inflow. For modeling the calcified stenotic valve, calcium will be added on the aortic side of valve leaflets. Such simulations allow us to determine the effective orifice area of the valve, one of the main parameters used clinically to evaluate the severity of an AS, and to correlate it with changes in the structure of the leaflets.

Reaction rates of oxygen with hemoglobin measured by non-equilibrium facilitated oxygen diffusion through hemoglobin solutions.

PubMed

Bouwer, S T; Hoofd, L; Kreuzer, F

2001-02-16

The purpose of this study was to verify the concept of non-equilibrium facilitated oxygen diffusion. This work succeeds our previous study, where facilitated oxygen diffusion by hemoglobin was measured at conditions of chemical equilibrium, and which yielded diffusion coefficients of hemoglobin and of oxygen. In the present work chemical non-equilibrium was induced using very thin diffusion layers. As a result, facilitation was decreased as predicted by theory. Thus, this work presents the first experimental demonstration of non-equilibrium facilitated oxygen diffusion. In addition, association and dissociation rate parameters of the reaction between oxygen and bovine and human hemoglobin were calculated and the effect of the homotropic and heterotropic interactions on each rate parameter was demonstrated. The results indicate that the homotropic interaction--which leads to increasing oxygen affinity with increasing oxygenation--is predominantly due to an increase in the association rate. The heterotropic interaction--which leads to decreasing oxygen affinity by anionic ligands--appears to be effected in two ways. Cl- increases the dissociation rate. In contrast, 2,3-diphosphoglycerate decreases the association rate.

Doubly-excited pulse-waves on flowing liquid films: experiments and numerical simulations

NASA Astrophysics Data System (ADS)

Adebayo, Idris; Xie, Zhihua; Che, Zhizhao; Wray, Alex; Matar, Omar

2016-11-01

The interaction patterns between doubly-excited pulse waves on a flowing liquid film are studied both experimentally and numerically. The flowing film is constituted on an inclined glass substrate while pulse-waves are excited on the film surface by means of a solenoid valve connected to a relay which receives signals from customised Matlab routines. The effect of varying the system parameters i.e. film flow rate, inter-pulse interval and substrate inclination angle on the pulse interaction patterns are then studied. Results show that different interaction patterns exist for these binary pulses; which include a singular behaviour, complete merger, partial merger and total non-coalescence. A regime map of these patterns is then plotted for each inclination angles examined, based on the film Re and the inter-pulse interval. Finally, the individual effect of the system parameters on the merging distance of these binary pulses in the merger mode is then studied and the results validated using both numerical simulations and mathematical modelling. Funding from the Nigerian Government (for Idris Adebayo), and the EPSRC through a programme Grant MEMPHIS (EP/K003976/1) gratefully acknowledged.

A periodic table of effective field theories

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

Cheung, Clifford; Kampf, Karol; Novotny, Jiri

We systematically explore the space of scalar effective field theories (EFTs) consistent with a Lorentz invariant and local S-matrix. To do so we define an EFT classification based on four parameters characterizing 1) the number of derivatives per interaction, 2) the soft properties of amplitudes, 3) the leading valency of the interactions, and 4) the spacetime dimension. Carving out the allowed space of EFTs, we prove that exceptional EFTs like the non-linear sigma model, Dirac-Born-Infeld theory, and the special Galileon lie precisely on the boundary of allowed theory space. Using on-shell momentum shifts and recursion relations, we prove that EFTsmore » with arbitrarily soft behavior are forbidden and EFTs with leading valency much greater than the spacetime dimension cannot have enhanced soft behavior. We then enumerate all single scalar EFTs in d < 6 and verify that they correspond to known theories in the literature. Finally, our results suggest that the exceptional theories are the natural EFT analogs of gauge theory and gravity because they are one-parameter theories whose interactions are strictly dictated by properties of the S-matrix.« less

A periodic table of effective field theories

DOE PAGES

Cheung, Clifford; Kampf, Karol; Novotny, Jiri; ...

2017-02-06

We systematically explore the space of scalar effective field theories (EFTs) consistent with a Lorentz invariant and local S-matrix. To do so we define an EFT classification based on four parameters characterizing 1) the number of derivatives per interaction, 2) the soft properties of amplitudes, 3) the leading valency of the interactions, and 4) the spacetime dimension. Carving out the allowed space of EFTs, we prove that exceptional EFTs like the non-linear sigma model, Dirac-Born-Infeld theory, and the special Galileon lie precisely on the boundary of allowed theory space. Using on-shell momentum shifts and recursion relations, we prove that EFTsmore » with arbitrarily soft behavior are forbidden and EFTs with leading valency much greater than the spacetime dimension cannot have enhanced soft behavior. We then enumerate all single scalar EFTs in d < 6 and verify that they correspond to known theories in the literature. Finally, our results suggest that the exceptional theories are the natural EFT analogs of gauge theory and gravity because they are one-parameter theories whose interactions are strictly dictated by properties of the S-matrix.« less

Opposing effects of cationic antimicrobial peptides and divalent cations on bacterial lipopolysaccharides

NASA Astrophysics Data System (ADS)

Smart, Matthew; Rajagopal, Aruna; Liu, Wing-Ki; Ha, Bae-Yeun

2017-10-01

The permeability of the bacterial outer membrane, enclosing Gram-negative bacteria, depends on the interactions of the outer, lipopolysaccharide (LPS) layer, with surrounding ions and molecules. We present a coarse-grained model for describing how cationic amphiphilic molecules (e.g., antimicrobial peptides) interact with and perturb the LPS layer in a biologically relevant medium, containing monovalent and divalent salt ions (e.g., Mg2+). In our approach, peptide binding is driven by electrostatic and hydrophobic interactions and is assumed to expand the LPS layer, eventually priming it for disruption. Our results suggest that in parameter ranges of biological relevance (e.g., at micromolar concentrations) the antimicrobial peptide magainin 2 effectively disrupts the LPS layer, even though it has to compete with Mg2+ for the layer. They also show how the integrity of LPS is restored with an increasing concentration of Mg2+. Using the approach, we make a number of predictions relevant for optimizing peptide parameters against Gram-negative bacteria and for understanding bacterial strategies to develop resistance against cationic peptides.

Global sensitivity analysis of a local water balance model predicting evaporation, water yield and drought

NASA Astrophysics Data System (ADS)

Speich, Matthias; Zappa, Massimiliano; Lischke, Heike

2017-04-01

Evaporation and transpiration affect both catchment water yield and the growing conditions for vegetation. They are driven by climate, but also depend on vegetation, soil and land surface properties. In hydrological and land surface models, these properties may be included as constant parameters, or as state variables. Often, little is known about the effect of these variables on model outputs. In the present study, the effect of surface properties on evaporation was assessed in a global sensitivity analysis. To this effect, we developed a simple local water balance model combining state-of-the-art process formulations for evaporation, transpiration and soil water balance. The model is vertically one-dimensional, and the relative simplicity of its process formulations makes it suitable for integration in a spatially distributed model at regional scale. The main model outputs are annual total evaporation (TE, i.e. the sum of transpiration, soil evaporation and interception), and a drought index (DI), which is based on the ratio of actual and potential transpiration. This index represents the growing conditions for forest trees. The sensitivity analysis was conducted in two steps. First, a screening analysis was applied to identify unimportant parameters out of an initial set of 19 parameters. In a second step, a statistical meta-model was applied to a sample of 800 model runs, in which the values of the important parameters were varied. Parameter effect and interactions were analyzed with effects plots. The model was driven with forcing data from ten meteorological stations in Switzerland, representing a wide range of precipitation regimes across a strong temperature gradient. Of the 19 original parameters, eight were identified as important in the screening analysis. Both steps highlighted the importance of Plant Available Water Capacity (AWC) and Leaf Area Index (LAI). However, their effect varies greatly across stations. For example, while a transition from a sparse to a closed forest canopy has almost no effect on annual TE at warm and dry sites, it increases TE by up to 100 mm/year at cold-humid and warm-humid sites. Further parameters of importance describe infiltration, as well as canopy resistance and its response to environmental variables. This study offers insights for future development of hydrological and ecohydrological models. First, it shows that although local water balance is primarily controlled by climate, the vegetation and soil parameters may have a large impact on the outputs. Second, it indicates that modeling studies should prioritize a realistic parameterization of LAI and AWC, while other parameters may be set to fixed values. Third, it illustrates to which extent parameter effect and interactions depend on local climate.

Optimization of reaction parameters of radiation induced grafting of 1-vinylimidazole onto poly(ethylene-co-tetraflouroethene) using response surface method

NASA Astrophysics Data System (ADS)

Nasef, Mohamed Mahmoud; Aly, Amgad Ahmed; Saidi, Hamdani; Ahmad, Arshad

2011-11-01

Radiation induced grafting of 1-vinylimidazole (1-VIm) onto poly(ethylene-co-tetraflouroethene) (ETFE) was investigated. The grafting parameters such as absorbed dose, monomer concentration, grafting time and temperature were optimized using response surface method (RSM). The Box-Behnken module available in the design expert software was used to investigate the effect of reaction conditions (independent parameters) varied in four levels on the degree of grafting ( G%) (response parameter). The model yielded a polynomial equation that relates the linear, quadratic and interaction effects of the independent parameters to the response parameter. The analysis of variance (ANOVA) was used to evaluate the results of the model and detect the significant values for the independent parameters. The optimum parameters to achieve a maximum G% were found to be monomer concentration of 55 vol%, absorbed dose of 100 kGy, time in the range of 14-20 h and a temperature of 61 °C. Fourier transform infrared (FTIR), thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) were used to investigate the properties of the obtained films and provide evidence for grafting.

Uni-directional consumer-resource theory characterizing transitions of interaction outcomes

USGS Publications Warehouse

Wang, Y.; DeAngelis, D.L.; Holland, J.N.

2011-01-01

A resource is considered here to be a biotic population that helps to maintain the population growth of its consumers, whereas a consumer utilizes a resource and in turn decreases its growth rate. Bi-directional consumer-resource (C-R) interactions have been the object of recent theory. In these interactions, each species acts, in some respects, as both a consumer and a resource of the other, which is the basis of many mutualisms. In uni-directional C-R interactions between two species, one acts as a consumer and the other as a material and/or energy resource, while neither acts as both. The relationship between insect pollinator/seed parasites and the host plant is an example of the latter interaction type of C-R, as the insect provides no material resource to the plant (though it provides a pollination service). In this paper we consider a different variation of the uni-directional C-R interaction, in which the resource species has both positive and negative effects on the consumer species, while the consumer has only a negative effect on the resource. A predator-prey system in which the prey is able to kill or consume predator eggs or larvae is an example. Our aim is to demonstrate mechanisms by which interaction outcomes of this system vary with different conditions, and thus to extend the uni-directional C-R theory established by Holland and DeAngelis (2009). By the analysis of a specific two-species system, it is shown that there is no periodic solution of the system, and the parameter (factor) space can be divided into six regions, which correspond to predation/parasitism, amensalism, and competition. The interaction outcomes of the system transition smoothly when the parameters are changed continuously in the six regions and/or initial densities of the species vary in a smooth fashion. Varying a pair of parameters can also result in the transitions. The analysis leads to both conditions under which the species approach their maximal densities, and explanations for phenomena in experiments by Urabe and Sterner (1996). ?? 2011 .

Dynamical vanishing of the order parameter in a confined Bardeen-Cooper-Schrieffer Fermi gas after an interaction quench

NASA Astrophysics Data System (ADS)

Hannibal, S.; Kettmann, P.; Croitoru, M. D.; Axt, V. M.; Kuhn, T.

2018-01-01

We present a numerical study of the Higgs mode in an ultracold confined Fermi gas after an interaction quench and find a dynamical vanishing of the superfluid order parameter. Our calculations are done within a microscopic density-matrix approach in the Bogoliubov-de Gennes framework which takes the three-dimensional cigar-shaped confinement explicitly into account. In this framework, we study the amplitude mode of the order parameter after interaction quenches starting on the BCS side of the BEC-BCS crossover close to the transition and ending in the BCS regime. We demonstrate the emergence of a dynamically vanishing superfluid order parameter in the spatiotemporal dynamics in a three-dimensional trap. Further, we show that the signal averaged over the whole trap mirrors the spatiotemporal behavior and allows us to systematically study the effects of the system size and aspect ratio on the observed dynamics. Our analysis enables us to connect the confinement-induced modifications of the dynamics to the pairing properties of the system. Finally, we demonstrate that the signature of the Higgs mode is contained in the dynamical signal of the condensate fraction, which, therefore, might provide a new experimental access to the nonadiabatic regime of the Higgs mode.

Two competing species in super-diffusive dynamical regimes

NASA Astrophysics Data System (ADS)

La Cognata, A.; Valenti, D.; Spagnolo, B.; Dubkov, A. A.

2010-09-01

The dynamics of two competing species within the framework of the generalized Lotka-Volterra equations, in the presence of multiplicative α-stable Lévy noise sources and a random time dependent interaction parameter, is studied. The species dynamics is characterized by two different dynamical regimes, exclusion of one species and coexistence of both, depending on the values of the interaction parameter, which obeys a Langevin equation with a periodically fluctuating bistable potential and an additive α-stable Lévy noise. The stochastic resonance phenomenon is analyzed for noise sources asymmetrically distributed. Finally, the effects of statistical dependence between multiplicative noise and additive noise on the dynamics of the two species are studied.

Non-linear wave interaction in a plasma column

NASA Technical Reports Server (NTRS)

Larsen, J.-M.; Crawford, F. W.

1979-01-01

Non-linear three-wave interaction is analysed for propagation along a cylindrical plasma column surrounded by an infinite dielectric, in the absence of a static magnetic field. An averaged-Lagrangian method is used, and the results are specialized to parametric interaction and mode conversion, assuming an undepleted pump wave. The theory for these two types of interactions is extended to include imperfect synchronism, and the effects of loss. Computations are presented indicating that parametric growth rates of the order of a fraction of a decibel per centimeter should be obtainable for plausible laboratory plasma column parameters.

Effects of number of ply, compression temperature, pressure and time on mechanical properties of prepreg kenaf-polypropilene composites

NASA Astrophysics Data System (ADS)

Tomo, H. S. S.; Ujianto, O.; Rizal, R.; Pratama, Y.

2017-07-01

Composite material thermoplastic was prepared from polypropilen granule as matrix, kenaf fiber as reinforcement and grafted polypropylene copolymer maleic anhydride as coupling agent. Composite products were produced as sandwich structures using compression molding. This research aimed to observe the influence of number of ply, temperature, pressure, and compression time using factorial design. Effects of variables on tensile and flexural strength were analyzed. Experimental results showed that tensile and flexural strength were influenced by degradation, fiber compaction, and matrix - fiber interaction mechanisms. Flexural strength was significantly affected by number of ply and its interaction to another process parameters (temperature, pressure, and compression time), but no significant effect of process parameters on tensile strength. The highest tensile strength (62.0 MPa) was produced at 3 ply, 210 °C, 50 Bar, and 3 min compression time (low, high, high, low), while the highest flexural strength (80.3 MPa) was produced at 3 ply, 190 °C, 50 Bar, and 3 min compression time (low, low, high, low).

Non-Markovian dynamics of single- and two-qubit systems interacting with Gaussian and non-Gaussian fluctuating transverse environments

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

Rossi, Matteo A. C., E-mail: matteo.rossi@unimi.it; Paris, Matteo G. A., E-mail: matteo.paris@fisica.unimi.it; CNISM, Unità Milano Statale, I-20133 Milano

2016-01-14

We address the interaction of single- and two-qubit systems with an external transverse fluctuating field and analyze in detail the dynamical decoherence induced by Gaussian noise and random telegraph noise (RTN). Upon exploiting the exact RTN solution of the time-dependent von Neumann equation, we analyze in detail the behavior of quantum correlations and prove the non-Markovianity of the dynamical map in the full parameter range, i.e., for either fast or slow noise. The dynamics induced by Gaussian noise is studied numerically and compared to the RTN solution, showing the existence of (state dependent) regions of the parameter space where themore » two noises lead to very similar dynamics. We show that the effects of RTN noise and of Gaussian noise are different, i.e., the spectrum alone is not enough to summarize the noise effects, but the dynamics under the effect of one kind of noise may be simulated with high fidelity by the other one.« less

Renormalization of Coulomb interactions in a system of two-dimensional tilted Dirac fermions

NASA Astrophysics Data System (ADS)

Lee, Yu-Wen; Lee, Yu-Li

2018-01-01

We investigate the effects of long-ranged Coulomb interactions in a tilted Dirac semimetal in two dimensions by using the perturbative renormalization-group (RG) method. Depending on the magnitude of the tilting parameter, the undoped system can have either Fermi points (type I) or Fermi lines (type II). Previous studies usually performed the renormalization-group transformations by integrating out the modes with large momenta. This is problematic when the Fermi surface is open, like type-II Dirac fermions. In this work we study the effects of Coulomb interactions, following the spirit of Shankar [Rev. Mod. Phys. 66, 129 (1994), 10.1103/RevModPhys.66.129], by introducing a cutoff in the energy scale around the Fermi surface and integrating out the high-energy modes. For type-I Dirac fermions, our result is consistent with that of the previous work. On the other hand, we find that for type-II Dirac fermions, the magnitude of the tilting parameter increases monotonically with lowering energies. This implies the stability of type-II Dirac fermions in the presence of Coulomb interactions, in contrast with previous results. Furthermore, for type-II Dirac fermions, the velocities in different directions acquire different renormalization even if they have the same bare values. By taking into account the renormalization of the tilting parameter and the velocities due to the Coulomb interactions, we show that while the presence of a charged impurity leads only to charge redistribution around the impurity for type-I Dirac fermions, for type-II Dirac fermions, the impurity charge is completely screened, albeit with a very long screening length. The latter indicates that the temperature dependence of physical observables are essentially determined by the RG equations we derived. We illustrate this by calculating the temperature dependence of the compressibility and specific heat of the interacting tilted Dirac fermions.

Subharmonic Oscillations and Chaos in Dynamic Atomic Force Microscopy

NASA Technical Reports Server (NTRS)

Cantrell, John H.; Cantrell, Sean A.

2015-01-01

The increasing use of dynamic atomic force microscopy (d-AFM) for nanoscale materials characterization calls for a deeper understanding of the cantilever dynamics influencing scan stability, predictability, and image quality. Model development is critical to such understanding. Renormalization of the equations governing d- AFM provides a simple interpretation of cantilever dynamics as a single spring and mass system with frequency dependent cantilever stiffness and damping parameters. The renormalized model is sufficiently robust to predict the experimentally observed splitting of the free-space cantilever resonance into multiple resonances upon cantilever-sample contact. Central to the model is the representation of the cantilever sample interaction force as a polynomial expansion with coefficients F(sub ij) (i,j = 0, 1, 2) that account for the effective interaction stiffness parameter, the cantilever-to-sample energy transfer, and the amplitude of cantilever oscillation. Application of the Melnikov method to the model equation is shown to predict a homoclinic bifurcation of the Smale horseshoe type leading to a cascade of period doublings with increasing drive displacement amplitude culminating in chaos and loss of image quality. The threshold value of the drive displacement amplitude necessary to initiate subharmonic generation depends on the acoustic drive frequency, the effective damping coefficient, and the nonlinearity of the cantilever-sample interaction force. For parameter values leading to displacement amplitudes below threshold for homoclinic bifurcation other bifurcation scenarios can occur, some of which lead to chaos.

Lennard-Jones Lattice Summation in Bilayer Simulations Has Critical Effects on Surface Tension and Lipid Properties.

PubMed

Wennberg, Christian L; Murtola, Teemu; Hess, Berk; Lindahl, Erik

2013-08-13

The accuracy of electrostatic interactions in molecular dynamics advanced tremendously with the introduction of particle-mesh Ewald (PME) summation almost 20 years ago. Lattice summation electrostatics is now the de facto standard for most types of biomolecular simulations, and in particular, for lipid bilayers, it has been a critical improvement due to the large charges typically present in zwitterionic lipid headgroups. In contrast, Lennard-Jones interactions have continued to be handled with increasingly longer cutoffs, partly because few alternatives have been available despite significant difficulties in tuning cutoffs and parameters to reproduce lipid properties. Here, we present a new Lennard-Jones PME implementation applied to lipid bilayers. We confirm that long-range contributions are well approximated by dispersion corrections in simple systems such as pentadecane (which makes parameters transferable), but for inhomogeneous and anisotropic systems such as lipid bilayers there are large effects on surface tension, resulting in up to 5.5% deviations in area per lipid and order parameters-far larger than many differences for which reparameterization has been attempted. We further propose an approximation for combination rules in reciprocal space that significantly reduces the computational cost of Lennard-Jones PME and makes accurate treatment of all nonbonded interactions competitive with simulations employing long cutoffs. These results could potentially have broad impact on important applications such as membrane proteins and free energy calculations.

The interactions between ionic surfactants and phosphatidylcholine vesicles: Conductometry

NASA Astrophysics Data System (ADS)

Tsao, Heng-Kwong; Tseng, Wen Liang

2001-11-01

The interaction between ionic surfactants and phosphatidylcholine vesicles, which are prepared without addition of buffer and salt, is investigated by conductivity measurements. On the basis of the vesicle acting as a trap of charge carriers, the bilayer/aqueous phase partition coefficient K and the surfactant/lipid molar ratio Re of nine surfactants are determined. The thermodynamic consistency is satisfied by the measured parameters. The effects of the alkyl chain length (C10-C16) and ionic head group are then studied. The inverse partition coefficient K-1 is linearly related to the critical micelle concentration. The solubilizing ability Reb is a consequence of the competition between the surfactant incorporation into the bilayer and the formation of micelles. Consequently, the K parameter rises whereas the Reb parameter declines as the chain length is increased. The influence due to addition of salt is also discussed.

Parametric behaviors of CLUBB in simulations of low clouds in the Community Atmosphere Model (CAM)

DOE PAGES

Guo, Zhun; Wang, Minghuai; Qian, Yun; ...

2015-07-03

In this study, we investigate the sensitivity of simulated low clouds to 14 selected tunable parameters of Cloud Layers Unified By Binormals (CLUBB), a higher order closure (HOC) scheme, and 4 parameters of the Zhang-McFarlane (ZM) deep convection scheme in the Community Atmosphere Model version 5 (CAM5). A quasi-Monte Carlo (QMC) sampling approach is adopted to effectively explore the high-dimensional parameter space and a generalized linear model is applied to study the responses of simulated cloud fields to tunable parameters. Our results show that the variance in simulated low-cloud properties (cloud fraction and liquid water path) can be explained bymore » the selected tunable parameters in two different ways: macrophysics itself and its interaction with microphysics. First, the parameters related to dynamic and thermodynamic turbulent structure and double Gaussians closure are found to be the most influential parameters for simulating low clouds. The spatial distributions of the parameter contributions show clear cloud-regime dependence. Second, because of the coupling between cloud macrophysics and cloud microphysics, the coefficient of the dissipation term in the total water variance equation is influential. This parameter affects the variance of in-cloud cloud water, which further influences microphysical process rates, such as autoconversion, and eventually low-cloud fraction. Furthermore, this study improves understanding of HOC behavior associated with parameter uncertainties and provides valuable insights for the interaction of macrophysics and microphysics.« less

Psychosocial and Psychophysiological Effects of Human-Animal Interactions: The Possible Role of Oxytocin

PubMed Central

Beetz, Andrea; Uvnäs-Moberg, Kerstin; Julius, Henri; Kotrschal, Kurt

2012-01-01

During the last decade it has become more widely accepted that pet ownership and animal assistance in therapy and education may have a multitude of positive effects on humans. Here, we review the evidence from 69 original studies on human-animal interactions (HAI) which met our inclusion criteria with regard to sample size, peer-review, and standard scientific research design. Among the well-documented effects of HAI in humans of different ages, with and without special medical, or mental health conditions are benefits for: social attention, social behavior, interpersonal interactions, and mood; stress-related parameters such as cortisol, heart rate, and blood pressure; self-reported fear and anxiety; and mental and physical health, especially cardiovascular diseases. Limited evidence exists for positive effects of HAI on: reduction of stress-related parameters such as epinephrine and norepinephrine; improvement of immune system functioning and pain management; increased trustworthiness of and trust toward other persons; reduced aggression; enhanced empathy and improved learning. We propose that the activation of the oxytocin system plays a key role in the majority of these reported psychological and psychophysiological effects of HAI. Oxytocin and HAI effects largely overlap, as documented by research in both, humans and animals, and first studies found that HAI affects the oxytocin system. As a common underlying mechanism, the activation of the oxytocin system does not only provide an explanation, but also allows an integrative view of the different effects of HAI. PMID:22866043

From global to local: exploring the relationship between parameters and behaviors in models of electrical excitability.

PubMed

Fletcher, Patrick; Bertram, Richard; Tabak, Joel

2016-06-01

Models of electrical activity in excitable cells involve nonlinear interactions between many ionic currents. Changing parameters in these models can produce a variety of activity patterns with sometimes unexpected effects. Further more, introducing new currents will have different effects depending on the initial parameter set. In this study we combined global sampling of parameter space and local analysis of representative parameter sets in a pituitary cell model to understand the effects of adding K (+) conductances, which mediate some effects of hormone action on these cells. Global sampling ensured that the effects of introducing K (+) conductances were captured across a wide variety of contexts of model parameters. For each type of K (+) conductance we determined the types of behavioral transition that it evoked. Some transitions were counterintuitive, and may have been missed without the use of global sampling. In general, the wide range of transitions that occurred when the same current was applied to the model cell at different locations in parameter space highlight the challenge of making accurate model predictions in light of cell-to-cell heterogeneity. Finally, we used bifurcation analysis and fast/slow analysis to investigate why specific transitions occur in representative individual models. This approach relies on the use of a graphics processing unit (GPU) to quickly map parameter space to model behavior and identify parameter sets for further analysis. Acceleration with modern low-cost GPUs is particularly well suited to exploring the moderate-sized (5-20) parameter spaces of excitable cell and signaling models.

Dynamics in multiple-well Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Nigro, M.; Capuzzi, P.; Cataldo, H. M.; Jezek, D. M.

2018-01-01

We study the dynamics of three-dimensional weakly linked Bose-Einstein condensates using a multimode model with an effective interaction parameter. The system is confined by a ring-shaped four-well trapping potential. By constructing a two-mode Hamiltonian in a reduced highly symmetric phase space, we examine the periodic orbits and calculate their time periods both in the self-trapping and Josephson regimes. The dynamics in the vicinity of the reduced phase space is investigated by means of a Floquet multiplier analysis, finding regions of different linear stability and analyzing their implications on the exact dynamics. The numerical exploration in an extended region of the phase space demonstrates that two-mode tools can also be useful for performing a partition of the space in different regimes. Comparisons with Gross-Pitaevskii simulations confirm these findings and emphasize the importance of properly determining the effective on-site interaction parameter governing the multimode dynamics.

Astrophysical neutrinos flavored with beyond the Standard Model physics

NASA Astrophysics Data System (ADS)

Rasmussen, Rasmus W.; Lechner, Lukas; Ackermann, Markus; Kowalski, Marek; Winter, Walter

2017-10-01

We systematically study the allowed parameter space for the flavor composition of astrophysical neutrinos measured at Earth, including beyond the Standard Model theories at production, during propagation, and at detection. One motivation is to illustrate the discrimination power of the next-generation neutrino telescopes such as IceCube-Gen2. We identify several examples that lead to potential deviations from the standard neutrino mixing expectation such as significant sterile neutrino production at the source, effective operators modifying the neutrino propagation at high energies, dark matter interactions in neutrino propagation, or nonstandard interactions in Earth matter. IceCube-Gen2 can exclude about 90% of the allowed parameter space in these cases, and hence will allow us to efficiently test and discriminate between models. More detailed information can be obtained from additional observables such as the energy dependence of the effect, fraction of electron antineutrinos at the Glashow resonance, or number of tau neutrino events.

Effects of hydrodynamic interactions in bacterial swimming.

NASA Astrophysics Data System (ADS)

Chattopadhyay, Suddhashil; Lun Wu, Xiao

2008-03-01

The lack of precise experimental data has prevented the investigation of the effects of long range hydrodynamic interactions in bacterial swimming. We perform measurements on various strains of bacteria with the aid of optical tweezers to shed light on this aspect of bacterial motility. Geometrical parameters recorded by fluorescence microscopy are used with theories which model flagella propulsion (Resistive force theory & Lighthill's formulation which includes long range interactions). Comparison of the predictions of these theories with experimental data, observed directly from swimming bacterium, led to the conclusion that while long range inetractions were important for single polar flagellated strains (Vibrio Alginolyticus & Caulobacter Crescentus), local force theory was adequate to describe the swimming of multi-flagellated Esherichia Coli. We performed additional measurements on E. Coli minicells (miniature cells with single polar flagellum) to try and determine the cause of this apparent effect of shielding of long range interactions in multiple flagellated bacteria.

Micro-Ramp Flow Control for Oblique Shock Interactions: Comparisons of Computational and Experimental Data

NASA Technical Reports Server (NTRS)

Hirt, Stefanie M.; Reich, David B.; O'Connor, Michael B.

2010-01-01

Computational fluid dynamics was used to study the effectiveness of micro-ramp vortex generators to control oblique shock boundary layer interactions. Simulations were based on experiments previously conducted in the 15 x 15 cm supersonic wind tunnel at NASA Glenn Research Center. Four micro-ramp geometries were tested at Mach 2.0 varying the height, chord length, and spanwise spacing between micro-ramps. The overall flow field was examined. Additionally, key parameters such as boundary-layer displacement thickness, momentum thickness and incompressible shape factor were also examined. The computational results predicted the effects of the micro-ramps well, including the trends for the impact that the devices had on the shock boundary layer interaction. However, computing the shock boundary layer interaction itself proved to be problematic since the calculations predicted more pronounced adverse effects on the boundary layer due to the shock than were seen in the experiment.

Micro-Ramp Flow Control for Oblique Shock Interactions: Comparisons of Computational and Experimental Data

NASA Technical Reports Server (NTRS)

Hirt, Stephanie M.; Reich, David B.; O'Connor, Michael B.

2012-01-01

Computational fluid dynamics was used to study the effectiveness of micro-ramp vortex generators to control oblique shock boundary layer interactions. Simulations were based on experiments previously conducted in the 15- by 15-cm supersonic wind tunnel at the NASA Glenn Research Center. Four micro-ramp geometries were tested at Mach 2.0 varying the height, chord length, and spanwise spacing between micro-ramps. The overall flow field was examined. Additionally, key parameters such as boundary-layer displacement thickness, momentum thickness and incompressible shape factor were also examined. The computational results predicted the effects of the microramps well, including the trends for the impact that the devices had on the shock boundary layer interaction. However, computing the shock boundary layer interaction itself proved to be problematic since the calculations predicted more pronounced adverse effects on the boundary layer due to the shock than were seen in the experiment.

Effect of magnetism and atomic order on static atomic displacements in the Invar alloy Fe-27 at.% Pt

NASA Astrophysics Data System (ADS)

Sax, C. R.; Schönfeld, B.; Ruban, A. V.

2015-08-01

Fe-27 at.% Pt was aged at 1123 K and quenched to room temperature (RT) to set up a state of thermal equilibrium. The local atomic arrangement was studied by diffuse x-ray scattering above (at 427 K) and below (at RT) the Curie temperature as well as at RT under a saturating magnetic field. The separated short-range order scattering remained unchanged for all three states, with maxima at 100 positions. Effective pair interaction parameters determined by the inverse Monte Carlo method gave an order-disorder transition temperature of about 1088 K, close to direct experimental findings. The species-dependent static atomic displacements for the first two shells show large differences, with a strong increase in magnitude from the state at 427 K over RT to the state under saturating magnetic field. This outcome is in agreement with an increase in atomic volume of Fe with increasing local magnetic moment. Electronic-structure calculations closely reproduce the values for the static atomic displacements in the ferromagnetic state, and predict their dependence on the atomic configuration. They also reveal a strong dependence of the magnetic exchange interactions in Fe-Pt on the atomic configuration state and lattice parameter. In particular, the increase of the Curie temperature in a random state relative to that in the ordered one is demonstrated to be related to the corresponding change of the magnetic exchange interactions due to the different local atomic chemical environment. There exists a similar strong concentration dependence of the chemical interactions as in the case of magnetic exchange interactions. Theoretical effective interactions for Fe-27 at.% Pt alloy are in good agreement with experimental results, and they also reproduce well the L1 2-A1 transition temperature.

Are quantitative sensitivity analysis methods always reliable?

NASA Astrophysics Data System (ADS)

Huang, X.

2016-12-01

Physical parameterizations developed to represent subgrid-scale physical processes include various uncertain parameters, leading to large uncertainties in today's Earth System Models (ESMs). Sensitivity Analysis (SA) is an efficient approach to quantitatively determine how the uncertainty of the evaluation metric can be apportioned to each parameter. Also, SA can identify the most influential parameters, as a result to reduce the high dimensional parametric space. In previous studies, some SA-based approaches, such as Sobol' and Fourier amplitude sensitivity testing (FAST), divide the parameters into sensitive and insensitive groups respectively. The first one is reserved but the other is eliminated for certain scientific study. However, these approaches ignore the disappearance of the interactive effects between the reserved parameters and the eliminated ones, which are also part of the total sensitive indices. Therefore, the wrong sensitive parameters might be identified by these traditional SA approaches and tools. In this study, we propose a dynamic global sensitivity analysis method (DGSAM), which iteratively removes the least important parameter until there are only two parameters left. We use the CLM-CASA, a global terrestrial model, as an example to verify our findings with different sample sizes ranging from 7000 to 280000. The result shows DGSAM has abilities to identify more influential parameters, which is confirmed by parameter calibration experiments using four popular optimization methods. For example, optimization using Top3 parameters filtered by DGSAM could achieve substantial improvement against Sobol' by 10%. Furthermore, the current computational cost for calibration has been reduced to 1/6 of the original one. In future, it is necessary to explore alternative SA methods emphasizing parameter interactions.

LEOrbit: A program to calculate parameters relevant to modeling Low Earth Orbit spacecraft-plasma interaction

NASA Astrophysics Data System (ADS)

Marchand, R.; Purschke, D.; Samson, J.

2013-03-01

Understanding the physics of interaction between satellites and the space environment is essential in planning and exploiting space missions. Several computer models have been developed over the years to study this interaction. In all cases, simulations are carried out in the reference frame of the spacecraft and effects such as charging, the formation of electrostatic sheaths and wakes are calculated for given conditions of the space environment. In this paper we present a program used to compute magnetic fields and a number of space plasma and space environment parameters relevant to Low Earth Orbits (LEO) spacecraft-plasma interaction modeling. Magnetic fields are obtained from the International Geophysical Reference Field (IGRF) and plasma parameters are obtained from the International Reference Ionosphere (IRI) model. All parameters are computed in the spacecraft frame of reference as a function of its six Keplerian elements. They are presented in a format that can be used directly in most spacecraft-plasma interaction models. Catalogue identifier: AENY_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AENY_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 270308 No. of bytes in distributed program, including test data, etc.: 2323222 Distribution format: tar.gz Programming language: FORTRAN 90. Computer: Non specific. Operating system: Non specific. RAM: 7.1 MB Classification: 19, 4.14. External routines: IRI, IGRF (included in the package). Nature of problem: Compute magnetic field components, direction of the sun, sun visibility factor and approximate plasma parameters in the reference frame of a Low Earth Orbit satellite. Solution method: Orbit integration, calls to IGRF and IRI libraries and transformation of coordinates from geocentric to spacecraft frame reference. Restrictions: Low Earth orbits, altitudes between 150 and 2000 km. Running time: Approximately two seconds to parameterize a full orbit with 1000 points.

Quantile regression models of animal habitat relationships

USGS Publications Warehouse

Cade, Brian S.

2003-01-01

Typically, all factors that limit an organism are not measured and included in statistical models used to investigate relationships with their environment. If important unmeasured variables interact multiplicatively with the measured variables, the statistical models often will have heterogeneous response distributions with unequal variances. Quantile regression is an approach for estimating the conditional quantiles of a response variable distribution in the linear model, providing a more complete view of possible causal relationships between variables in ecological processes. Chapter 1 introduces quantile regression and discusses the ordering characteristics, interval nature, sampling variation, weighting, and interpretation of estimates for homogeneous and heterogeneous regression models. Chapter 2 evaluates performance of quantile rankscore tests used for hypothesis testing and constructing confidence intervals for linear quantile regression estimates (0 ≤ τ ≤ 1). A permutation F test maintained better Type I errors than the Chi-square T test for models with smaller n, greater number of parameters p, and more extreme quantiles τ. Both versions of the test required weighting to maintain correct Type I errors when there was heterogeneity under the alternative model. An example application related trout densities to stream channel width:depth. Chapter 3 evaluates a drop in dispersion, F-ratio like permutation test for hypothesis testing and constructing confidence intervals for linear quantile regression estimates (0 ≤ τ ≤ 1). Chapter 4 simulates from a large (N = 10,000) finite population representing grid areas on a landscape to demonstrate various forms of hidden bias that might occur when the effect of a measured habitat variable on some animal was confounded with the effect of another unmeasured variable (spatially and not spatially structured). Depending on whether interactions of the measured habitat and unmeasured variable were negative (interference interactions) or positive (facilitation interactions), either upper (τ > 0.5) or lower (τ < 0.5) quantile regression parameters were less biased than mean rate parameters. Sampling (n = 20 - 300) simulations demonstrated that confidence intervals constructed by inverting rankscore tests provided valid coverage of these biased parameters. Quantile regression was used to estimate effects of physical habitat resources on a bivalve mussel (Macomona liliana) in a New Zealand harbor by modeling the spatial trend surface as a cubic polynomial of location coordinates.

Effects of a neutrino-dark energy coupling on oscillations of high-energy neutrinos

NASA Astrophysics Data System (ADS)

Klop, Niki; Ando, Shin'ichiro

2018-03-01

If dark energy (DE) is a dynamical field rather than a cosmological constant, an interaction between DE and the neutrino sector could exist, modifying the neutrino oscillation phenomenology and causing C P and apparent Lorentz violating effects. The terms in the Hamiltonian for flavor propagation induced by the DE-neutrino coupling do not depend on the neutrino energy, while the ordinary components decrease as Δ m2/Eν. Therefore, the DE-induced effects are absent at lower neutrino energies, but become significant at higher energies, allowing to be searched for by neutrino observatories. We explore the impact of the DE-neutrino coupling on the oscillation probability and the flavor transition in the three-flavor framework, and investigate the C P -violating and apparent Lorentz violating effects. We find that DE-induced effects become observable for Eνmeff˜10-20 GeV2, where meff is the effective mass parameter in the DE-induced oscillation probability, and C P is violated over a wide energy range. We also show that current and future experiments have the sensitivity to detect anomalous effects induced by a DE-neutrino coupling and probe the new mixing parameters. The DE-induced effects on neutrino oscillation can be distinguished from other new physics possibilities with similar effects, through the detection of the directional dependence of the interaction, which is specific to this interaction with DE. However, current experiments will not yet be able to measure the small changes of ˜0.03 % in the flavor composition due to this directional effect.

Evaluation of the Utility of Static and Adaptive Mesh Refinement for Idealized Tropical Cyclone Problems in a Spectral Element Shallow Water Model

DTIC Science & Technology

2015-04-09

where u is the zonal momentum per unit mass, v is the meridional momentum per unit mass, h is the fluid depth, and f is the Coriolis parameter. An...from each cyclone advects the other116 creating a net cyclonic motion (the Fujiwhara effect ; Fujiwhara 1921) (case 2 idealization).117 In Fig. 2c, the...the interaction of the two136 vortices cause a net cyclonic motion (the Fujiwhara effect ).137 The initial condition for the binary vortex interaction

Survival of Rydberg atoms in intense laser fields and the role of nondipole effects

NASA Astrophysics Data System (ADS)

Klaiber, Michael; Dimitrovski, Darko

2015-02-01

We consider the interaction of Rydberg atoms with strong infrared laser pulses using an approach based on the Magnus expansion of the time evolution operator. First-order corrections beyond the electric dipole approximation are also included in the theory. We illustrate the dynamics of the interaction at the parameters of the experiment [Eichmann et al., Phys. Rev. Lett. 110, 203002 (2013), 10.1103/PhysRevLett.110.203002]. It emerges that the depletion of Rydberg atoms in this regime comes predominantly from the nondipole effects.

Correlation effects in superconducting quantum dot systems

NASA Astrophysics Data System (ADS)

Pokorný, Vladislav; Žonda, Martin

2018-05-01

We study the effect of electron correlations on a system consisting of a single-level quantum dot with local Coulomb interaction attached to two superconducting leads. We use the single-impurity Anderson model with BCS superconducting baths to study the interplay between the proximity induced electron pairing and the local Coulomb interaction. We show how to solve the model using the continuous-time hybridization-expansion quantum Monte Carlo method. The results obtained for experimentally relevant parameters are compared with results of self-consistent second order perturbation theory as well as with the numerical renormalization group method.

Effects of long-range interactions on curvature energies of viral shells

NASA Astrophysics Data System (ADS)

Shojaei, Hamid R.; Božič, Anže Lošdorfer; Muthukumar, Murugappan; Podgornik, Rudolf

2016-05-01

We formulate a theory of the effects of long-range interactions on the surface tension and spontaneous curvature of proteinaceous shells based on the general Deryaguin-Landau-Verwey-Overbeek mesoscale approach to colloid stability. We derive the full renormalization formulas for the elastic properties of the shell and consider in detail the renormalization of the spontaneous curvature as a function of the corresponding Hamaker coefficient, inner and outer capsid charges, and bathing solution properties. The renormalized spontaneous curvature is found to be a nonmonotonic function of several parameters describing the system.

Nuclear matter from effective quark-quark interaction.

PubMed

Baldo, M; Fukukawa, K

2014-12-12

We study neutron matter and symmetric nuclear matter with the quark-meson model for the two-nucleon interaction. The Bethe-Bruckner-Goldstone many-body theory is used to describe the correlations up to the three hole-line approximation with no extra parameters. At variance with other nonrelativistic realistic interactions, the three hole-line contribution turns out to be non-negligible and to have a substantial saturation effect. The saturation point of nuclear matter, the compressibility, the symmetry energy, and its slope are within the phenomenological constraints. Since the interaction also reproduces fairly well the properties of the three-nucleon system, these results indicate that the explicit introduction of the quark degrees of freedom within the considered constituent quark model is expected to reduce the role of three-body forces.

Results of an investigation of hypersonic viscous interaction effects of the space shuttle orbiter using a 0.010 scale model (51-0) in the AEDC-VKF tunnel F (OA160)

NASA Technical Reports Server (NTRS)

Elder, D. J.

1975-01-01

An experimental aerodynamic investigation was conducted in the AEDC-VKF Hypervelocity Wind Tunnel (Tunnel F) at a nomial Mach number of 19 to determine hypersonic viscous interaction effects on the space shuttle orbiter. The tests were conducted at an angle of attack of 30 degrees over a free-stream Reynolds number (based on fuselage length) variation from 0.1 to 0.4 million. Viscous interaction parameter was varied from 0.02 to 0.06. Six component static stability force and moment data were measured by an internally compensated internal strain gage balance. Resulting data are presented.

Combining techniques for screening and evaluating interaction terms on high-dimensional time-to-event data.

PubMed

Sariyar, Murat; Hoffmann, Isabell; Binder, Harald

2014-02-26

Molecular data, e.g. arising from microarray technology, is often used for predicting survival probabilities of patients. For multivariate risk prediction models on such high-dimensional data, there are established techniques that combine parameter estimation and variable selection. One big challenge is to incorporate interactions into such prediction models. In this feasibility study, we present building blocks for evaluating and incorporating interactions terms in high-dimensional time-to-event settings, especially for settings in which it is computationally too expensive to check all possible interactions. We use a boosting technique for estimation of effects and the following building blocks for pre-selecting interactions: (1) resampling, (2) random forests and (3) orthogonalization as a data pre-processing step. In a simulation study, the strategy that uses all building blocks is able to detect true main effects and interactions with high sensitivity in different kinds of scenarios. The main challenge are interactions composed of variables that do not represent main effects, but our findings are also promising in this regard. Results on real world data illustrate that effect sizes of interactions frequently may not be large enough to improve prediction performance, even though the interactions are potentially of biological relevance. Screening interactions through random forests is feasible and useful, when one is interested in finding relevant two-way interactions. The other building blocks also contribute considerably to an enhanced pre-selection of interactions. We determined the limits of interaction detection in terms of necessary effect sizes. Our study emphasizes the importance of making full use of existing methods in addition to establishing new ones.

A Global Sensitivity Analysis Method on Maximum Tsunami Wave Heights to Potential Seismic Source Parameters

NASA Astrophysics Data System (ADS)

Ren, Luchuan

2015-04-01

A Global Sensitivity Analysis Method on Maximum Tsunami Wave Heights to Potential Seismic Source Parameters Luchuan Ren, Jianwei Tian, Mingli Hong Institute of Disaster Prevention, Sanhe, Heibei Province, 065201, P.R. China It is obvious that the uncertainties of the maximum tsunami wave heights in offshore area are partly from uncertainties of the potential seismic tsunami source parameters. A global sensitivity analysis method on the maximum tsunami wave heights to the potential seismic source parameters is put forward in this paper. The tsunami wave heights are calculated by COMCOT ( the Cornell Multi-grid Coupled Tsunami Model), on the assumption that an earthquake with magnitude MW8.0 occurred at the northern fault segment along the Manila Trench and triggered a tsunami in the South China Sea. We select the simulated results of maximum tsunami wave heights at specific sites in offshore area to verify the validity of the method proposed in this paper. For ranking importance order of the uncertainties of potential seismic source parameters (the earthquake's magnitude, the focal depth, the strike angle, dip angle and slip angle etc..) in generating uncertainties of the maximum tsunami wave heights, we chose Morris method to analyze the sensitivity of the maximum tsunami wave heights to the aforementioned parameters, and give several qualitative descriptions of nonlinear or linear effects of them on the maximum tsunami wave heights. We quantitatively analyze the sensitivity of the maximum tsunami wave heights to these parameters and the interaction effects among these parameters on the maximum tsunami wave heights by means of the extended FAST method afterward. The results shows that the maximum tsunami wave heights are very sensitive to the earthquake magnitude, followed successively by the epicenter location, the strike angle and dip angle, the interactions effect between the sensitive parameters are very obvious at specific site in offshore area, and there exist differences in importance order in generating uncertainties of the maximum tsunami wave heights for same group parameters at different specific sites in offshore area. These results are helpful to deeply understand the relationship between the tsunami wave heights and the seismic tsunami source parameters. Keywords: Global sensitivity analysis; Tsunami wave height; Potential seismic tsunami source parameter; Morris method; Extended FAST method

TEMPO Monolayers on Si(100) Electrodes: Electrostatic Effects by the Electrolyte and Semiconductor Space-Charge on the Electroactivity of a Persistent Radical.

PubMed

Zhang, Long; Vogel, Yan Boris; Noble, Benjamin B; Gonçales, Vinicius R; Darwish, Nadim; Brun, Anton Le; Gooding, J Justin; Wallace, Gordon G; Coote, Michelle L; Ciampi, Simone

2016-08-03

This work demonstrates the effect of electrostatic interactions on the electroactivity of a persistent organic free radical. This was achieved by chemisorption of molecules of 4-azido-2,2,6,6-tetramethyl-1-piperdinyloxy (4-azido-TEMPO) onto monolayer-modified Si(100) electrodes using a two-step chemical procedure to preserve the open-shell state and hence the electroactivity of the nitroxide radical. Kinetic and thermodynamic parameters for the surface electrochemical reaction are investigated experimentally and analyzed with the aid of electrochemical digital simulations and quantum-chemical calculations of a theoretical model of the tethered TEMPO system. Interactions between the electrolyte anions and the TEMPO grafted on highly doped, i.e., metallic, electrodes can be tuned to predictably manipulate the oxidizing power of surface nitroxide/oxoammonium redox couple, hence showing the practical importance of the electrostatics on the electrolyte side of the radical monolayer. Conversely, for monolayers prepared on the poorly doped electrodes, the electrostatic interactions between the tethered TEMPO units and the semiconductor-side, i.e., space-charge, become dominant and result in drastic kinetic changes to the electroactivity of the radical monolayer as well as electrochemical nonidealities that can be explained as an increase in the self-interaction "a" parameter that leads to the Frumkin isotherm.

Modeling the interaction between the intra-aortic balloon pump and the cardiovascular system: the effect of timing.

PubMed

Schampaert, Stéphanie; Rutten, Marcel C M; van T Veer, Marcel; van Nunen, Lokien X; Tonino, Pim A L; Pijls, Nico H J; van de Vosse, Frans N

2013-01-01

Because of the large number of interaction factors involved, the effects of the intra-aortic balloon pump (IABP) have not been investigated deeply. To enhance its clinical efficiency and to better define indications for use, advanced models are required to test the interaction between the IABP and the cardiovascular system. A patient with mild blood pressure depression and a lowered cardiac output is modeled in a lumped parameter computational model, developed with physiologically representative elements for relevant components of circulation and device. IABP support is applied, and the moments of balloon inflation and deflation are varied around their conventional timing modes. For validation purposes, timing is adapted within acceptable ranges in ten patients undergoing IABP therapy for typical clinical indications. In both model and patients, the IABP induces a diastolic blood pressure augmentation as well as a systolic reduction in afterload. The support capabilities of the IABP benefit the most when the balloon is deflated simultaneously with ventricular contraction, whereas inflation before onset of diastole unconditionally interferes with ejection. The physiologic response makes the model an excellent tool for testing the interaction between the IABP and the cardiovascular system, and how alterations of specific IABP parameters (i.e., timing) affect this coupling.

Theoretical study of the hyperfine-interaction constants and the isotope-shift factors for the 3 s21S0-3 s 3 p 3,1P1o transitions in Al+

NASA Astrophysics Data System (ADS)

Zhang, Tingxian; Xie, Luyou; Li, Jiguang; Lu, Zehuang

2017-07-01

We calculated the magnetic dipole and the electric quadrupole hyperfine interaction constants of 3 s 3 p 3,1P1o states and the isotope shift, including mass and field shift, factors for transitions from these two states to the ground state 3 s 2 1S0 in Al+ ions using the multiconfiguration Dirac-Hartree-Fock method. The effects of the electron correlations and the Breit interaction on these physical quantities were investigated in detail based on the active space approach. It is found that the core-core and the higher order correlations are considerable for evaluating the uncertainties of the atomic parameters concerned. The uncertainties of the hyperfine interaction constants in this work are less than 1.6%. Although the isotope shift factors are highly sensitive to the electron correlations, reasonable uncertainties were obtained by exploring the effects of the electron correlations. Moreover, we found that the relativistic nuclear recoil corrections to the mass shift factors are very small and insensitive to the electron correlations for Al+. These atomic parameters present in this work are valuable for extracting the nuclear electric quadrupole moments and the mean-square charge radii of Al isotopes.

Solvation effects on chemical shifts by embedded cluster integral equation theory.

PubMed

Frach, Roland; Kast, Stefan M

2014-12-11

The accurate computational prediction of nuclear magnetic resonance (NMR) parameters like chemical shifts represents a challenge if the species studied is immersed in strongly polarizing environments such as water. Common approaches to treating a solvent in the form of, e.g., the polarizable continuum model (PCM) ignore strong directional interactions such as H-bonds to the solvent which can have substantial impact on magnetic shieldings. We here present a computational methodology that accounts for atomic-level solvent effects on NMR parameters by extending the embedded cluster reference interaction site model (EC-RISM) integral equation theory to the prediction of chemical shifts of N-methylacetamide (NMA) in aqueous solution. We examine the influence of various so-called closure approximations of the underlying three-dimensional RISM theory as well as the impact of basis set size and different treatment of electrostatic solute-solvent interactions. We find considerable and systematic improvement over reference PCM and gas phase calculations. A smaller basis set in combination with a simple point charge model already yields good performance which can be further improved by employing exact electrostatic quantum-mechanical solute-solvent interaction energies. A larger basis set benefits more significantly from exact over point charge electrostatics, which can be related to differences of the solvent's charge distribution.

Dynamics of cellular level function and regulation derived from murine expression array data.

PubMed

de Bivort, Benjamin; Huang, Sui; Bar-Yam, Yaneer

2004-12-21

A major open question of systems biology is how genetic and molecular components interact to create phenotypes at the cellular level. Although much recent effort has been dedicated to inferring effective regulatory influences within small networks of genes, the power of microarray bioinformatics has yet to be used to determine functional influences at the cellular level. In all cases of data-driven parameter estimation, the number of model parameters estimable from a set of data is strictly limited by the size of that set. Rather than infer parameters describing the detailed interactions of just a few genes, we chose a larger-scale investigation so that the cumulative effects of all gene interactions could be analyzed to identify the dynamics of cellular-level function. By aggregating genes into large groups with related behaviors (megamodules), we were able to determine the effective aggregate regulatory influences among 12 major gene groups in murine B lymphocytes over a variety of time steps. Intriguing observations about the behavior of cells at this high level of abstraction include: (i) a medium-term critical global transcriptional dependence on ATP-generating genes in the mitochondria, (ii) a longer-term dependence on glycolytic genes, (iii) the dual role of chromatin-reorganizing genes in transcriptional activation and repression, (iv) homeostasis-favoring influences, (v) the indication that, as a group, G protein-mediated signals are not concentration-dependent in their influence on target gene expression, and (vi) short-term-activating/long-term-repressing behavior of the cell-cycle system that reflects its oscillatory behavior.

Clowns Benefit Children Hospitalized for Respiratory Pathologies

PubMed Central

Bertini, Mario; Isola, Elena; Paolone, Giuseppe; Curcio, Giuseppe

2011-01-01

The study aims at evaluating health-generating function of humor therapy in a hospital ward hosting children suffering from respiratory pathologies. The main scope of this study is to investigate possible positive effects of the presence of a clown on both the clinical evolution of the on-going disease, and on some physiological and pain parameters. Forty-three children with respiratory pathologies participated in the study: 21 of them belonged to the experimental group (EG) and 22 children to the control group (CG). During their hospitalization, the children of the EG interacted with two clowns who were experienced in the field of pediatric intervention. All participants were evaluated with respect to clinical progress and to a series of physiological and pain measures both before and after the clown interaction. When compared with the CG, EG children showed an earlier disappearance of the pathological symptoms. Moreover, the interaction of the clown with the children led to a statistically significant lowering of diastolic blood pressure, respiratory frequency and temperature in the EG as compared with the control group. The other two parameters of systolic pressure and heart frequency yielded results in the same direction, without reaching statistical significance. A similar health-inducing effect of clown presence was observed on pain parameters, both by self evaluation and assessment by nurses. Taken together, our data indicate that the presence of clowns in the ward has a possible health-inducing effect. Thus, humor can be seen as an easy-to-use, inexpensive and natural therapeutic modality to be used within different therapeutic settings. PMID:21785637

Disentangling synergistic climate drivers on the evolution of two species of planktonic foraminifera on regional and global scales

NASA Astrophysics Data System (ADS)

Brombacher, A.; Wilson, P. A.; Bailey, I.; Ezard, T. H. G.

2016-02-01

Evolution is driven by a combination of biotic and abiotic factors. When quantifying the effects of abiotic drivers, evolutionary change is generally described as a response to a single environmental parameter assumed to represent global climate. However, climate is a complex system of many interacting factors and characterized by high regional variability. Therefore, to understand the role of climate in evolutionary change, we need to consider multiple environmental parameters, across local, regional and global scales, as well as their interactions. The deep-sea microfossil record is sufficiently complete that sufficiently continuous multivariate climatic and multivariate trait data can be obtained from the same samples. Here we present morphological records of the planktonic foraminifera species Globoconella puncticulata and Truncorotalia crassaformis over a 500,000-year interval directly preceding the extinction of G. puncticulata (2.41 Ma). Material was collected from five North Atlantic sites (ODP Sites 659 [18° N], 925 [3° N] and 981 [55° N], IODP Site U1313 [41° N] and DSDP Site 606 [37° N]). Test size and shape of over 35,000 individuals were measured and compared to site-specific records of sea surface temperature, primary productivity and marine aeolian dust deposition, as well as to global records of ice volume, ocean circulation and atmospheric CO2, and all two-way interactions. Morphological parameters respond weakly to individual climate parameters. Once interactions among all studied climate parameters were incorporated, abiotic change explained around 35% of the evolutionary variance. Observed covariances between environmental parameters vary strongly with glacial-interglacial cyclicity, implying that the relationships among climate variables and their relative influences on evolutionary change varied through time. This time dependence cautions against unfettered use of dimension reduction techniques, such as principal components analysis, to extract a single, supposedly dominant, proxy. Furthermore species' responses differed between geographic locations, impressing the need to test how interactions among multiple climate variables at different regional settings shape the biotic microevolutionary response to local and global abiotic change.

Protein interactions in concentrated ribonuclease solutions

NASA Astrophysics Data System (ADS)

Boyer, Mireille; Roy, Marie-Odile; Jullien, Magali; Bonneté, Françoise; Tardieu, Annette

1999-01-01

To investigate the protein interactions involved in the crystallization process of ribonuclease A, dynamic light scattering (DLS) and small angle X-ray scattering experiments (SAXS) were performed on concentrated solutions. Whereas the translational diffusion coefficient obtained from DLS is sensitive to thermodynamic and hydrodynamic interactions and permits to calculate an interaction parameter, the shape of the SAXS curves is related to the type of interaction (attractive or repulsive). We compared the effect of pH on protein interactions in the case of two types of crystallizing agents: a mixture of salts (3 M sodium chloride plus 0.2 M ammonium sulfate) and an organic solvent (ethanol). The results show that in the presence of ethanol, as in low salt, protein interactions become more attractive as the pH increases from 4 to 8 and approaches the isoelectric point. In contrast, a reverse effect is observed in high salt conditions: the strength of attractive interactions decreases as the pH increases. The range of the pH effect can be related to ionization of histidine residues, particularly those located in the active site of the protein. The present observations point out the important role played by localized charges in crystallization conditions, whatever the precipitating agent.

Combined effects of ZnO NPs and seawater acidification on the haemocyte parameters of thick shell mussel Mytilus coruscus.

PubMed

Wu, Fangli; Cui, Shuaikang; Sun, Meng; Xie, Zhe; Huang, Wei; Huang, Xizhi; Liu, Liping; Hu, Menghong; Lu, Weiqun; Wang, Youji

2018-05-15

Flow cytometry was used to investigate the immune parameters of haemocytes in thick-shell mussel Mytilus coruscus exposed to different concentrations of ZnO nanoparticles (NPs) (0, 2.5, and 10mgl -1 ) at two pH levels (7.3 and 8.1) for 14days following a recovery period of 7days. ZnO NPs significantly affected all of the immune parameters throughout the experiment. At high ZnO NPs concentrations, total haemocyte counting, phagocytosis, esterase, and lysosomal content were significantly decreased whereas haemocyte mortality and reactive oxygen species (ROS) were increased. Although low pH also significantly influenced all of the immune parameters of the mussels, its effect was not as strong as that of ZnO NPs. Interactive effects were observed between pH and ZnO NPs in most haemocyte parameters during the exposure period. Although a slight recovery from the stress of ZnO NPs and pH was observed for all immune parameters, significant carry-over effects of low pH and ZnO NPs were still detected. This study revealed that high concentration of ZnO NPs and low pH exert negative and synergistic effects on mussels, and these effects remain even after the mussels are no longer exposed to such stressors. Copyright © 2017 Elsevier B.V. All rights reserved.

Towards robust quantification and reduction of uncertainty in hydrologic predictions: Integration of particle Markov chain Monte Carlo and factorial polynomial chaos expansion

NASA Astrophysics Data System (ADS)

Wang, S.; Huang, G. H.; Baetz, B. W.; Ancell, B. C.

2017-05-01

The particle filtering techniques have been receiving increasing attention from the hydrologic community due to its ability to properly estimate model parameters and states of nonlinear and non-Gaussian systems. To facilitate a robust quantification of uncertainty in hydrologic predictions, it is necessary to explicitly examine the forward propagation and evolution of parameter uncertainties and their interactions that affect the predictive performance. This paper presents a unified probabilistic framework that merges the strengths of particle Markov chain Monte Carlo (PMCMC) and factorial polynomial chaos expansion (FPCE) algorithms to robustly quantify and reduce uncertainties in hydrologic predictions. A Gaussian anamorphosis technique is used to establish a seamless bridge between the data assimilation using the PMCMC and the uncertainty propagation using the FPCE through a straightforward transformation of posterior distributions of model parameters. The unified probabilistic framework is applied to the Xiangxi River watershed of the Three Gorges Reservoir (TGR) region in China to demonstrate its validity and applicability. Results reveal that the degree of spatial variability of soil moisture capacity is the most identifiable model parameter with the fastest convergence through the streamflow assimilation process. The potential interaction between the spatial variability in soil moisture conditions and the maximum soil moisture capacity has the most significant effect on the performance of streamflow predictions. In addition, parameter sensitivities and interactions vary in magnitude and direction over time due to temporal and spatial dynamics of hydrologic processes.

Parameters affecting plant defense pathway mediated recruitment of entomopathogenic nematodes

USDA-ARS?s Scientific Manuscript database

Entomopathogenic nematodes are natural enemies and effective biological control agents of subterranean insect herbivores. Interactions between her bivores, plants, and entomopathogenic nematodes are mediated by plant defense pathways that can induce release of volatiles that recruit entomopathogenic...

A literature review on fatigue and creep interaction

NASA Technical Reports Server (NTRS)

Chen, W. C.

1978-01-01

Life-time prediction methods, which are based on a number of empirical and phenomenological relationships, are presented. Three aspects are reviewed: effects of testing parameters on high temperature fatigue, life-time prediction, and high temperature fatigue crack growth.

Investigation of the Effects of Inulin and β-Glucan on the Physical and Sensory Properties of Low-Fat Beef Burgers Containing Vegetable Oils: Optimisation of the Formulation Using D-Optimal Mixture Design

PubMed Central

Afshari, Roya; Khaksar, Ramin; Mohammadifar, Mohammad Amin; Amiri, Zohre; Komeili, Rozita; Khaneghah, Amin Mousavi

2015-01-01

Summary In this study, the D-optimal mixture design methodology was applied to determine the optimised proportions of inulin, β-glucan and breadcrumbs in formulation of low-fat beef burgers containing pre-emulsified canola and olive oil blend. Also, the effect of each of the ingredients individually as well as their interactions on cooking characteristics, texture, colour and sensory properties of low-fat beef burgers were investigated. The results of this study revealed that the increase of inulin content in the formulations of burgers led to lower cooking yield, moisture retention and increased lightness, overall acceptability, mouldability and desired textural parameters. In contrast, incorporation of β-glucan increased the cooking yield, moisture retention and decreased lightness, overall acceptability, mouldability and desired textural parameters of burger patties. The interaction between inulin and β-glucan improved the cooking characteristics of the burgers without significantly negative effect on the colour or sensory properties. The results of the study clearly stated that the optimum mixture for the burger formulation consisted of (in g per 100 g): inulin 3.1, β-glucan 2.2 and breadcrumbs 2.7. The texture parameters and cooking characteristics were improved by using the mixture of inulin, β-glucan and breadcrumbs, without any negative effects on the sensory properties of the burgers. PMID:27904378

Influence of Coulomb interaction of tunable shapes on the collective transport of ultradilute two-dimensional holes.

PubMed

Huang, Jian; Pfeiffer, L N; West, K W

2014-01-24

In high quality updoped GaAs field-effect transistors, the two-dimensional charge carrier concentrations can be tuned to very low values similar to the density of electrons on helium surfaces. An important interaction effect, screening of the Coulomb interaction by the gate, rises as a result of the large charge spacing comparable to the distance between the channel and the gate. Based on the results of the temperature (T) dependence of the resistivity from measuring four different samples, a power-law characteristic is found for charge densities ≤2×10(9)  cm(-2). Moreover, the exponent exhibits a universal dependence on a single dimensionless parameter, the ratio between the mean carrier separation and the distance to the metallic gate that screens the Coulomb interaction. Thus, the electronic properties are tuned through varying the shape of the interaction potential.

Magnetic-field control of electric polarization in coupled spin chains with three-site interactions

NASA Astrophysics Data System (ADS)

Sznajd, Jozef

2018-06-01

The linear perturbation renormalization group (LPRG) is used to study coupled X Y chains with Dzyaloshinskii-Moriya (DM) and three-spin interactions in a magnetic field. Starting with a minimal model exhibiting the magnetoelectric effect, a spin-1/2 X Y chain with nearest, next-nearest (J2x) , and DM (D1y) interactions in a magnetic field, the recursion relations for all effective interactions generated by the LPRG transformation are found. The evaluation of these relations allows us to analyze, among others, the influence of J2x,D1y , three-spin (SixSi+1 ySi+2 z-SiySi+1 xSi+2 z ), and interchain interactions on the thermodynamic properties. The field and temperature dependences of the polarization, specific heat, and correlation functions are found. It is shown that an interchain coupling triggers a phase transition indicated by the divergence of the renormalized coupling parameters.

Determinism Beneath Composite Quantum Systems

NASA Astrophysics Data System (ADS)

Blasone, Massimo; Vitiello, Giuseppe; Jizba, Petr; Scardigli, Fabio

This paper aims at the development of 't Hooft's quantization proposal to describe composite quantum mechanical systems. In particular, we show how 't Hooft's method can be utilized to obtain from two classical Bateman oscillators a composite quantum system corresponding to a quantum isotonic oscillator. For a suitable range of parameters, the composite system can be also interpreted as a particle in an effective magnetic field interacting through a spin-orbital interaction term. In the limit of a large separation from the interaction region we can identify the irreducible subsystems with two independent quantum oscillators.

Reparameterization of Solute—Solute Interactions for Amino Acid-Sugar Systems Using Isopiestic Osmotic Pressure Molecular Dynamics Simulations

PubMed Central

Lay, Wesley K.; Miller, Mark S.

2018-01-01

AMBER/GLYCAM and CHARMM are popular force fields for simulations of amino acids and sugars. Here we report excessively attractive amino acid-sugar interactions in both force fields, and corrections to nonbonded interactions that match experimental osmotic pressures of mixed aqueous solutions of diglycine and sucrose. The modified parameters also improve the ΔGtrans of diglycine from water to aqueous sucrose and, with AMBERff99SB/GLYCAM06, eliminate a caging effect seen in previous simulations of the protein ubiquitin with glucose. PMID:28437100

Estimating Colloidal Contact Model Parameters Using Quasi-Static Compression Simulations.

PubMed

Bürger, Vincent; Briesen, Heiko

2016-10-05

For colloidal particles interacting in suspensions, clusters, or gels, contact models should attempt to include all physical phenomena experimentally observed. One critical point when formulating a contact model is to ensure that the interaction parameters can be easily obtained from experiments. Experimental determinations of contact parameters for particles either are based on bulk measurements for simulations on the macroscopic scale or require elaborate setups for obtaining tangential parameters such as using atomic force microscopy. However, on the colloidal scale, a simple method is required to obtain all interaction parameters simultaneously. This work demonstrates that quasi-static compression of a fractal-like particle network provides all the necessary information to obtain particle interaction parameters using a simple spring-based contact model. These springs provide resistances against all degrees of freedom associated with two-particle interactions, and include critical forces or moments where such springs break, indicating a bond-breakage event. A position-based cost function is introduced to show the identifiability of the two-particle contact parameters, and a discrete, nonlinear, and non-gradient-based global optimization method (simplex with simulated annealing, SIMPSA) is used to minimize the cost function calculated from deviations of particle positions. Results show that, in principle, all necessary contact parameters for an arbitrary particle network can be identified, although numerical efficiency as well as experimental noise must be addressed when applying this method. Such an approach lays the groundwork for identifying particle-contact parameters from a position-based particle analysis for a colloidal system using just one experiment. Spring constants also directly influence the time step of the discrete-element method, and a detailed knowledge of all necessary interaction parameters will help to improve the efficiency of colloidal particle simulations.

Use of the Flory-Huggins theory to predict the solubility of nifedipine and sulfamethoxazole in the triblock, graft copolymer Soluplus.

PubMed

Altamimi, Mohammad A; Neau, Steven H

2016-01-01

Drug dispersed in a polymer can improve bioavailability; dispersed amorphous drug undergoes recrystallization. Solid solutions eliminate amorphous regions, but require a measure of the solubility. Use the Flory-Huggins Theory to predict crystalline drugs solubility in the triblock, graft copolymer Soluplus® to provide a solid solution. Physical mixtures of the two drugs with similar melting points but different glass forming ability, sulfamethoxazole and nifedipine, were prepared with Soluplus® using a quick technique. Drug melting point depression (MPD) was measured using differential scanning calorimetry. The Flory-Huggins Theory allowed: (1) interaction parameter, χ, calculation using MPD data to provide a measure of drug-polymer interaction strength and (2) estimation of the free energy of mixing. A phase diagram was constructed with the MPD data and glass transition temperature (Tg) curves. The interaction parameters with Soluplus® and the free energy of mixing were estimated. Drug solubility was calculated by the intersection of solubility equations and that of MPD and Tg curves in the phase diagram. Negative interaction parameters indicated strong drug-polymer interactions. The phase diagram and solubility equations provided comparable solubility estimates for each drug in Soluplus®. Results using the onset of melting rather than the end of melting support the use of the onset of melting. The Flory-Huggins Theory indicates that Soluplus® interacts effectively with each drug, making solid solution formation feasible. The predicted solubility of the drugs in Soluplus® compared favorably across the methods and supports the use of the onset of melting.

Use of the Flory-Huggins theory to predict the solubility of nifedipine and sulfamethoxazole in the triblock, graft copolymer Soluplus.

PubMed

Altamimi, Mohammad A; Neau, Steven H

2016-03-01

Drug dispersed in a polymer can improve bioavailability; dispersed amorphous drug undergoes recrystallization. Solid solutions eliminate amorphous regions, but require a measure of the solubility. Use the Flory-Huggins Theory to predict crystalline drugs solubility in the triblock, graft copolymer Soluplus® to provide a solid solution. Physical mixtures of the two drugs with similar melting points but different glass forming ability, sulfamethoxazole and nifedipine, were prepared with Soluplus® using a quick technique. Drug melting point depression (MPD) was measured using differential scanning calorimetry. The Flory-Huggins Theory allowed: (1) interaction parameter, χ, calculation using MPD data to provide a measure of drug-polymer interaction strength and (2) estimation of the free energy of mixing. A phase diagram was constructed with the MPD data and glass transition temperature (T g ) curves. The interaction parameters with Soluplus® and the free energy of mixing were estimated. Drug solubility was calculated by the intersection of solubility equations and that of MPD and T g curves in the phase diagram. Negative interaction parameters indicated strong drug-polymer interactions. The phase diagram and solubility equations provided comparable solubility estimates for each drug in Soluplus®. Results using the onset of melting rather than the end of melting support the use of the onset of melting. The Flory-Huggins Theory indicates that Soluplus® interacts effectively with each drug, making solid solution formation feasible. The predicted solubility of the drugs in Soluplus® compared favorably across the methods and supports the use of the onset of melting.

Curcumin and kaempferol prevent lysozyme fibril formation by modulating aggregation kinetic parameters.

PubMed

Borana, Mohanish S; Mishra, Pushpa; Pissurlenkar, Raghuvir R S; Hosur, Ramakrishna V; Ahmad, Basir

2014-03-01

Interaction of small molecule inhibitors with protein aggregates has been studied extensively, but how these inhibitors modulate aggregation kinetic parameters is little understood. In this work, we investigated the ability of two potential aggregation inhibiting drugs, curcumin and kaempferol, to control the kinetic parameters of aggregation reaction. Using thioflavin T fluorescence and static light scattering, the kinetic parameters such as amplitude, elongation rate constant and lag time of guanidine hydrochloride-induced aggregation reactions of hen egg white lysozyme were studied. We observed a contrasting effect of inhibitors on the kinetic parameters when aggregation reactions were measured by these two probes. The interactions of these inhibitors with hen egg white lysozyme were investigated using fluorescence quench titration method and molecular dynamics simulations coupled with binding free energy calculations. We conclude that both the inhibitors prolong nucleation of amyloid aggregation through binding to region of the protein which is known to form the core of the protein fibril, but once the nucleus is formed the rate of elongation is not affected by the inhibitors. This work would provide insight into the mechanism of aggregation inhibition by these potential drug molecules. Copyright © 2014 Elsevier B.V. All rights reserved.

Interaction of magnetic resonators studied by the magnetic field enhancement

NASA Astrophysics Data System (ADS)

Hou, Yumin

2013-12-01

It is the first time that the magnetic field enhancement (MFE) is used to study the interaction of magnetic resonators (MRs), which is more sensitive than previous parameters-shift and damping of resonance frequency. To avoid the coherence of lattice and the effect of Bloch wave, the interaction is simulated between two MRs with same primary phase when the distance is changed in the range of several resonance wavelengths, which is also compared with periodic structure. The calculated MFE oscillating and decaying with distance with the period equal to resonance wavelength directly shows the retardation effect. Simulation also shows that the interaction at normal incidence is sensitive to the phase correlation which is related with retardation effect and is ultra-long-distance interaction when the two MRs are strongly localized. When the distance is very short, the amplitude of magnetic resonance is oppressed by the strong interaction and thus the MFE can be much lower than that of single MR. This study provides the design rules of metamaterials for engineering resonant properties of MRs.

CO2 and Er:YAG laser interaction with grass tissues

NASA Astrophysics Data System (ADS)

Kim, Jaehun; Ki, Hyungson

2013-01-01

Plant leaves are multi-component optical materials consisting of water, pigments, and dry matter, among which water is the predominant constituent. In this article, we investigate laser interaction with grass using CO2 and Er:YAG lasers theoretically and experimentally, especially targeting water in grass tissues. We have first studied the optical properties of light absorbing constituents of grass theoretically, and then have identified interaction regimes and constructed interaction maps through a systematic experiment. Using the interaction maps, we have studied how interaction regimes change as process parameters are varied. This study reveals some interesting findings concerning carbonization and ablation mechanisms, the effect of laser beam diameter, and the ablation efficiency and quality of CO2 and Er:YAG lasers.

Pilot study of bipolar radiofrequency-induced anastomotic thermofusion-exploration of therapy parameters ex vivo.

PubMed

Winter, Hanno; Holmer, Christoph; Buhr, Heinz-Johannes; Lindner, Gerd; Lauster, Roland; Kraft, Marc; Ritz, Jörg-Peter

2010-01-01

Vessel sealing has been well-established in surgical practice in recent years. Bipolar radiofrequency-induced thermofusion (BIRTH) of intestinal tissue might replace traditionally used staples or sutures in the near future. In this experimental study, the influence of compressive pressure, fusion temperature, and duration of heating on the quality of intestinal anastomosis was investigated to obtain the relevant major parameters for the in vivo use of this system. An experimental setup for a closed-loop temperature-controlled bipolar radiofrequency-induced thermofusion of porcine intestinal tissue was developed. Twenty-four colon samples were harvested from nine different Saalower-Kräuter pigs and then anastomosed altering compressive pressure on five different levels to explore its influence on anastomotic bursting pressure. The anastomotic bursting strength depends on the compressive pressure applied to the colonic fusion site. An optimal interval of compressive pressure (CP = 1.125 N/mm(2)) in respect of a high amount of burst pressure was detected. A correlation (r = 0.54, p = 0.015) of burst pressure to delta compression indicated that increasing colonic wall thickness probably strengthens the anastomotic fusion. This study is a first step to enlighten the major parameters of tissue fusion, though effects and interactions of various main parameters of bipolar radiofrequency-induced thermofusion of colonic tissue remain unclear. Further studies exploring the main effects and interactions of tissue and process parameters to the quality of the fusion site have to follow.

A multi-mode real-time terrain parameter estimation method for wheeled motion control of mobile robots

NASA Astrophysics Data System (ADS)

Li, Yuankai; Ding, Liang; Zheng, Zhizhong; Yang, Qizhi; Zhao, Xingang; Liu, Guangjun

2018-05-01

For motion control of wheeled planetary rovers traversing on deformable terrain, real-time terrain parameter estimation is critical in modeling the wheel-terrain interaction and compensating the effect of wheel slipping. A multi-mode real-time estimation method is proposed in this paper to achieve accurate terrain parameter estimation. The proposed method is composed of an inner layer for real-time filtering and an outer layer for online update. In the inner layer, sinkage exponent and internal frictional angle, which have higher sensitivity than that of the other terrain parameters to wheel-terrain interaction forces, are estimated in real time by using an adaptive robust extended Kalman filter (AREKF), whereas the other parameters are fixed with nominal values. The inner layer result can help synthesize the current wheel-terrain contact forces with adequate precision, but has limited prediction capability for time-variable wheel slipping. To improve estimation accuracy of the result from the inner layer, an outer layer based on recursive Gauss-Newton (RGN) algorithm is introduced to refine the result of real-time filtering according to the innovation contained in the history data. With the two-layer structure, the proposed method can work in three fundamental estimation modes: EKF, REKF and RGN, making the method applicable for flat, rough and non-uniform terrains. Simulations have demonstrated the effectiveness of the proposed method under three terrain types, showing the advantages of introducing the two-layer structure.

Power Law and Logarithmic Ricci Dark Energy Models in Hořava-Lifshitz Cosmology

NASA Astrophysics Data System (ADS)

Pasqua, Antonio; Chattopadhyay, Surajit; Khurshudyan, Martiros; Myrzakulov, Ratbay; Hakobyan, Margarit; Movsisyan, Artashes

2015-03-01

In this work, we studied the Power Law and the Logarithmic Entropy Corrected versions of the Ricci Dark Energy (RDE) model in a spatially non-flat universe and in the framework of Hořava-Lifshitz cosmology. For the two cases containing non-interacting and interacting RDE and Dark Matter (DM), we obtained the exact differential equation that determines the evolutionary form of the RDE energy density. Moreover, we obtained the expressions of the deceleration parameter q and, using a parametrization of the equation of state (EoS) parameter ω D given by the relation ω D ( z) = ω 0+ ω 1 z, we derived the expressions of both ω 0 and ω 1. We interestingly found that the expression of ω 0 is the same for both non-interacting and interacting case. The expression of ω 1 for the interacting case has strong dependence from the interacting parameter b 2. The parameters derived in this work are done in small redshift approximation and for low redshift expansion of the EoS parameter.

Analytical solution for static and dynamic analysis of magnetically affected viscoelastic orthotropic double-layered graphene sheets resting on viscoelastic foundation

NASA Astrophysics Data System (ADS)

Jalaei, M. H.; Arani, A. Ghorbanpour

2018-02-01

By considering the small scale effect based on the nonlocal Eringen's theory, the static and dynamic analysis of viscoelastic orthotropic double-layered graphene sheets subjected to longitudinal magnetic field and mechanical load is investigated analytically. For this objective, first order shear deformation theory (FSDT) is proposed. The surrounding medium is simulated by visco-Pasternak foundation model in which damping, normal and transverse shear loads are taken into account. The governing equations of motion are obtained via energy method and Hamilton's principle which are then solved analytically by means of Navier's approach and Laplace inversion technique in the space and time domains, respectively. Through various parametric studies, the influences of the nonlocal parameter, structural damping, van der Waals (vdW) interaction, stiffness and damping coefficient of the foundation, magnetic parameter, aspect ratio and length to thickness ratio on the static and dynamic response of the nanoplates are examined. The results depict that when the vdW interaction is considered to be zero, the upper layer deflection reaches a maximum point whereas the lower layer deflection becomes zero. In addition, it is observed that with growing the vdW interaction, the effect of magnetic field on the deflection of the lower layer increases while this effect reduces for the upper layer deflection.

Phase space information in a non-linear quantum system containing a Kerr-like medium through Su(1, 1)-algebraic treatment

NASA Astrophysics Data System (ADS)

Mohamed, Abdel-Baset A.

2018-05-01

Analytical description for a Su(2)-quantum system interacting with a damped Su(1, 1)-cavity, which is filled with a non-linear Kerr medium, is presented. The dynamics of non-classicality of Su(1, 1)-state is investigated via the negative part of the Wigner function. We show that the negative part depends on the unitary interaction and the Kerr-like medium and it can be disappeared by increasing the dissipation rate and the detuning parameter. The phase space information of the Husimi function and its Wehrl density is very sensitive not only to the coupling to the environment and the unitary interaction but also to the detuning as well as to the Kerr-like medium. The phase space information may be completely erased by increasing the coupling to the environment. The coherence loss of the Su(2)-state is investigated via the Husimi Wehrl entropy. If the effects of the detuning parameter or/and of the Kerr-like medium are combined with the damping effect, the damping effect of the coupling to the environment may be weaken, and the Wehrl entropy is delayed to reach its steady-state value. At the steady-state value, the phase space information and the coherence are quickly lost.

[Analytic methods for seed models with genotype x environment interactions].

PubMed

Zhu, J

1996-01-01

Genetic models with genotype effect (G) and genotype x environment interaction effect (GE) are proposed for analyzing generation means of seed quantitative traits in crops. The total genetic effect (G) is partitioned into seed direct genetic effect (G0), cytoplasm genetic of effect (C), and maternal plant genetic effect (Gm). Seed direct genetic effect (G0) can be further partitioned into direct additive (A) and direct dominance (D) genetic components. Maternal genetic effect (Gm) can also be partitioned into maternal additive (Am) and maternal dominance (Dm) genetic components. The total genotype x environment interaction effect (GE) can also be partitioned into direct genetic by environment interaction effect (G0E), cytoplasm genetic by environment interaction effect (CE), and maternal genetic by environment interaction effect (GmE). G0E can be partitioned into direct additive by environment interaction (AE) and direct dominance by environment interaction (DE) genetic components. GmE can also be partitioned into maternal additive by environment interaction (AmE) and maternal dominance by environment interaction (DmE) genetic components. Partitions of genetic components are listed for parent, F1, F2 and backcrosses. A set of parents, their reciprocal F1 and F2 seeds is applicable for efficient analysis of seed quantitative traits. MINQUE(0/1) method can be used for estimating variance and covariance components. Unbiased estimation for covariance components between two traits can also be obtained by the MINQUE(0/1) method. Random genetic effects in seed models are predictable by the Adjusted Unbiased Prediction (AUP) approach with MINQUE(0/1) method. The jackknife procedure is suggested for estimation of sampling variances of estimated variance and covariance components and of predicted genetic effects, which can be further used in a t-test for parameter. Unbiasedness and efficiency for estimating variance components and predicting genetic effects are tested by Monte Carlo simulations.

Effects of cutting parameters and machining environments on surface roughness in hard turning using design of experiment

NASA Astrophysics Data System (ADS)

Mia, Mozammel; Bashir, Mahmood Al; Dhar, Nikhil Ranjan

2016-07-01

Hard turning is gradually replacing the time consuming conventional turning process, which is typically followed by grinding, by producing surface quality compatible to grinding. The hard turned surface roughness depends on the cutting parameters, machining environments and tool insert configurations. In this article the variation of the surface roughness of the produced surfaces with the changes in tool insert configuration, use of coolant and different cutting parameters (cutting speed, feed rate) has been investigated. This investigation was performed in machining AISI 1060 steel, hardened to 56 HRC by heat treatment, using coated carbide inserts under two different machining environments. The depth of cut, fluid pressure and material hardness were kept constant. The Design of Experiment (DOE) was performed to determine the number and combination sets of different cutting parameters. A full factorial analysis has been performed to examine the effect of main factors as well as interaction effect of factors on surface roughness. A statistical analysis of variance (ANOVA) was employed to determine the combined effect of cutting parameters, environment and tool configuration. The result of this analysis reveals that environment has the most significant impact on surface roughness followed by feed rate and tool configuration respectively.

Performance comparison of first-order conditional estimation with interaction and Bayesian estimation methods for estimating the population parameters and its distribution from data sets with a low number of subjects.

PubMed

Pradhan, Sudeep; Song, Byungjeong; Lee, Jaeyeon; Chae, Jung-Woo; Kim, Kyung Im; Back, Hyun-Moon; Han, Nayoung; Kwon, Kwang-Il; Yun, Hwi-Yeol

2017-12-01

Exploratory preclinical, as well as clinical trials, may involve a small number of patients, making it difficult to calculate and analyze the pharmacokinetic (PK) parameters, especially if the PK parameters show very high inter-individual variability (IIV). In this study, the performance of a classical first-order conditional estimation with interaction (FOCE-I) and expectation maximization (EM)-based Markov chain Monte Carlo Bayesian (BAYES) estimation methods were compared for estimating the population parameters and its distribution from data sets having a low number of subjects. In this study, 100 data sets were simulated with eight sampling points for each subject and with six different levels of IIV (5%, 10%, 20%, 30%, 50%, and 80%) in their PK parameter distribution. A stochastic simulation and estimation (SSE) study was performed to simultaneously simulate data sets and estimate the parameters using four different methods: FOCE-I only, BAYES(C) (FOCE-I and BAYES composite method), BAYES(F) (BAYES with all true initial parameters and fixed ω 2 ), and BAYES only. Relative root mean squared error (rRMSE) and relative estimation error (REE) were used to analyze the differences between true and estimated values. A case study was performed with a clinical data of theophylline available in NONMEM distribution media. NONMEM software assisted by Pirana, PsN, and Xpose was used to estimate population PK parameters, and R program was used to analyze and plot the results. The rRMSE and REE values of all parameter (fixed effect and random effect) estimates showed that all four methods performed equally at the lower IIV levels, while the FOCE-I method performed better than other EM-based methods at higher IIV levels (greater than 30%). In general, estimates of random-effect parameters showed significant bias and imprecision, irrespective of the estimation method used and the level of IIV. Similar performance of the estimation methods was observed with theophylline dataset. The classical FOCE-I method appeared to estimate the PK parameters more reliably than the BAYES method when using a simple model and data containing only a few subjects. EM-based estimation methods can be considered for adapting to the specific needs of a modeling project at later steps of modeling.

Effects of dietary chromium picolinate and peppermint essential oil on growth performance and blood biochemical parameters of broiler chicks reared under heat stress conditions

NASA Astrophysics Data System (ADS)

Akbari, Mohsen; Torki, Mehran

2014-08-01

A study was conducted using 240 female day-old broiler chicks to evaluate the effects of dietary chromium picolinate (CrPic), peppermint essential oil (P.mint), or their combination on growth performance and blood biochemical parameters of female broiler chicks raised under heat stress conditions (HS, 23.9 to 38 °C cycling). Average daily gain (ADG), average daily feed intake (ADFI), and feed conversion ratio (FCR) were obtained from 1 to 42 days of age. Furthermore, at the end of the experiment (day 42), birds were bled to determine some blood biochemical parameters and weighed for final body weight (BW). ADFI, ADG, and BW were not influenced significantly by dietary CrPic and P.mint ( P > 0.05). A significant interaction between dietary CrPic and P.mint on FCR ( P = 0.012) was detected. FCR significantly decreased in chicks fed the diet including both CrPic and P.mint compared with the CrPic group. Significant interaction between dietary P.mint and CrPic on serum concentrations of triglycerides, glucose, and albumin were observed ( P < 0.05), but the other measured blood biochemical parameters were not statistically affected by dietary treatments ( P > 0.05). The serum concentrations of glucose, triglycerides were decreased ( P < 0.05) in broilers fed the diet including both CrPic and P.mint. Plasma chromium (Cr) content increased significantly ( P < 0.05) in birds fed the CrPic-included diet compared with the control group ( P < 0.05). From the results of the present experiment it can be concluded that dietary supplementation with combined P.mint and CrPic could have beneficial effects on some blood biochemical parameters of female chicks reared under heat stress conditions.

The Statistical Properties of Solar Wind Temperature Parameters Near 1 au

NASA Astrophysics Data System (ADS)

Wilson, Lynn B., III; Stevens, Michael L.; Kasper, Justin C.; Klein, Kristopher G.; Maruca, Bennett A.; Bale, Stuart D.; Bowen, Trevor A.; Pulupa, Marc P.; Salem, Chadi S.

2018-06-01

We present a long-duration (∼10 yr) statistical analysis of the temperatures, plasma betas, and temperature ratios for the electron, proton, and alpha-particle populations observed by the Wind spacecraft near 1 au. The mean(median) scalar temperatures are T e,tot = 12.2(11.9) eV, T p,tot = 12.7(8.6) eV, and T α,tot = 23.9(10.8) eV. The mean(median) total plasma betas are β e,tot = 2.31(1.09), β p,tot = 1.79(1.05), and β α,tot = 0.17(0.05). The mean(median) temperature ratios are (T e /T p )tot = 1.64(1.27), (T e /T α )tot = 1.24(0.82), and (T α /T p )tot = 2.50(1.94). We also examined these parameters during time intervals that exclude interplanetary (IP) shocks, times within the magnetic obstacles (MOs) of interplanetary coronal mass ejections (ICMEs), and times that exclude MOs. The only times that show significant alterations to any of the parameters examined are those during MOs. In fact, the only parameter that does not show a significant change during MOs is the electron temperature. Although each parameter shows a broad range of values, the vast majority are near the median. We also compute particle–particle collision rates and compare to effective wave–particle collision rates. We find that, for reasonable assumptions of wave amplitude and occurrence rates, the effect of wave–particle interactions on the plasma is equal to or greater than the effect of Coulomb collisions. Thus, wave–particle interactions should not be neglected when modeling the solar wind.

Effects of dietary chromium picolinate and peppermint essential oil on growth performance and blood biochemical parameters of broiler chicks reared under heat stress conditions.

PubMed

Akbari, Mohsen; Torki, Mehran

2014-08-01

A study was conducted using 240 female day-old broiler chicks to evaluate the effects of dietary chromium picolinate (CrPic), peppermint essential oil (P.mint), or their combination on growth performance and blood biochemical parameters of female broiler chicks raised under heat stress conditions (HS, 23.9 to 38 °C cycling). Average daily gain (ADG), average daily feed intake (ADFI), and feed conversion ratio (FCR) were obtained from 1 to 42 days of age. Furthermore, at the end of the experiment (day 42), birds were bled to determine some blood biochemical parameters and weighed for final body weight (BW). ADFI, ADG, and BW were not influenced significantly by dietary CrPic and P.mint (P>0.05). A significant interaction between dietary CrPic and P.mint on FCR (P=0.012) was detected. FCR significantly decreased in chicks fed the diet including both CrPic and P.mint compared with the CrPic group. Significant interaction between dietary P.mint and CrPic on serum concentrations of triglycerides, glucose, and albumin were observed (P<0.05), but the other measured blood biochemical parameters were not statistically affected by dietary treatments (P>0.05). The serum concentrations of glucose, triglycerides were decreased (P<0.05) in broilers fed the diet including both CrPic and P.mint. Plasma chromium (Cr) content increased significantly (P<0.05) in birds fed the CrPic-included diet compared with the control group (P<0.05). From the results of the present experiment it can be concluded that dietary supplementation with combined P.mint and CrPic could have beneficial effects on some blood biochemical parameters of female chicks reared under heat stress conditions.

Thermo-acoustical molecular interaction study in binary mixtures of glycerol and ethylene glycol

NASA Astrophysics Data System (ADS)

Kaur, Kirandeep; Juglan, K. C.; Kumar, Harsh

2017-07-01

Ultrasonic velocity, density and viscosity are measured over the entire composition range for binary liquid mixtures of glycerol (CH2OH-CHOH-CH2OH) and ethylene glycol (HOCH2CH2OH) at different temperatures and constant frequency of 2MHz using ultrasonic interferometer, specific gravity bottle and viscometer respectively. Measured experimental values are used to obtained various acoustical parameters such as adiabatic compressibility, acoustic impedance, intermolecular free length, relaxation time, ultrasonic attenuation, effective molar weight, free volume, available volume, molar volume, Wada's constant, Rao's constant, Vander Waal's constant, internal pressure, Gibb's free energy and enthalpy. The variation in acoustical parameters are interpreted in terms of molecular interactions between the components of molecules of binary liquid mixtures.

Improved Design of Beam Tunnel for 42 GHz Gyrotron

NASA Astrophysics Data System (ADS)

Singh, Udaybir; Kumar, Nitin; Purohit, L. P.; Sinha, A. K.

2011-04-01

In gyrotron, there is the chance of generation and excitation of unwanted RF modes (parasite oscillations). These modes may interact with electron beam and consequently degrade the beam quality. This paper presents the improved design of the beam tunnel to reduce the parasite oscillations and the effect of beam tunnel geometry on the electron beam parameters. The design optimization of the beam tunnel has been done with the help of 3-D simulation software CST-Microwave Studio and the effect of beam tunnel geometry on the electron beam parameters has been analyzed by EGUN code.

Sensitivity of GRETINA position resolution to hole mobility

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

Prasher, V. S.; Cromaz, M.; Merchan, E.

The sensitivity of the position resolution of the gamma-ray tracking array GRETINA to the hole charge-carrier mobility parameter is investigated. The χ 2 results from a fit of averaged signal (“superpulse”) data exhibit a shallow minimum for hole mobilities 15% lower than the currently adopted values. Calibration data on position resolution is analyzed, together with simulations that isolate the hole mobility dependence of signal decomposition from other effects such as electronics cross-talk. Our results effectively exclude hole mobility as a dominant parameter for improving the position resolution for reconstruction of gamma-ray interaction points in GRETINA.

Sensitivity of GRETINA position resolution to hole mobility

DOE PAGES

Prasher, V. S.; Cromaz, M.; Merchan, E.; ...

2017-02-01

The sensitivity of the position resolution of the gamma-ray tracking array GRETINA to the hole charge-carrier mobility parameter is investigated. The χ 2 results from a fit of averaged signal (“superpulse”) data exhibit a shallow minimum for hole mobilities 15% lower than the currently adopted values. Calibration data on position resolution is analyzed, together with simulations that isolate the hole mobility dependence of signal decomposition from other effects such as electronics cross-talk. Our results effectively exclude hole mobility as a dominant parameter for improving the position resolution for reconstruction of gamma-ray interaction points in GRETINA.

A Predictor Analysis Framework for Surface Radiation Budget Reprocessing Using Design of Experiments

NASA Astrophysics Data System (ADS)

Quigley, Patricia Allison

Earth's Radiation Budget (ERB) is an accounting of all incoming energy from the sun and outgoing energy reflected and radiated to space by earth's surface and atmosphere. The National Aeronautics and Space Administration (NASA)/Global Energy and Water Cycle Experiment (GEWEX) Surface Radiation Budget (SRB) project produces and archives long-term datasets representative of this energy exchange system on a global scale. The data are comprised of the longwave and shortwave radiative components of the system and is algorithmically derived from satellite and atmospheric assimilation products, and acquired atmospheric data. It is stored as 3-hourly, daily, monthly/3-hourly, and monthly averages of 1° x 1° grid cells. Input parameters used by the algorithms are a key source of variability in the resulting output data sets. Sensitivity studies have been conducted to estimate the effects this variability has on the output data sets using linear techniques. This entails varying one input parameter at a time while keeping all others constant or by increasing all input parameters by equal random percentages, in effect changing input values for every cell for every three hour period and for every day in each month. This equates to almost 11 million independent changes without ever taking into consideration the interactions or dependencies among the input parameters. A more comprehensive method is proposed here for the evaluating the shortwave algorithm to identify both the input parameters and parameter interactions that most significantly affect the output data. This research utilized designed experiments that systematically and simultaneously varied all of the input parameters of the shortwave algorithm. A D-Optimal design of experiments (DOE) was chosen to accommodate the 14 types of atmospheric properties computed by the algorithm and to reduce the number of trials required by a full factorial study from millions to 128. A modified version of the algorithm was made available for testing such that global calculations of the algorithm were tuned to accept information for a single temporal and spatial point and for one month of averaged data. The points were from each of four atmospherically distinct regions to include the Amazon Rainforest, Sahara Desert, Indian Ocean and Mt. Everest. The same design was used for all of the regions. Least squares multiple regression analysis of the results of the modified algorithm identified those parameters and parameter interactions that most significantly affected the output products. It was found that Cosine solar zenith angle was the strongest influence on the output data in all four regions. The interaction of Cosine Solar Zenith Angle and Cloud Fraction had the strongest influence on the output data in the Amazon, Sahara Desert and Mt. Everest Regions, while the interaction of Cloud Fraction and Cloudy Shortwave Radiance most significantly affected output data in the Indian Ocean region. Second order response models were built using the resulting regression coefficients. A Monte Carlo simulation of each model extended the probability distribution beyond the initial design trials to quantify variability in the modeled output data.

Effect of solute interactions in columbium /Nb/ on creep strength

NASA Technical Reports Server (NTRS)

Klein, M. J.; Metcalfe, A. G.

1973-01-01

The creep strength of 17 ternary columbium (Nb)-base alloys was determined using an abbreviated measuring technique, and the results were analyzed to identify the contributions of solute interactions to creep strength. Isostrength creep diagrams and an interaction strengthening parameter, ST, were used to present and analyze data. It was shown that the isostrength creep diagram can be used to estimate the creep strength of untested alloys and to identify compositions with the most economical use of alloy elements. Positive values of ST were found for most alloys, showing that interaction strengthening makes an important contribution to the creep strength of these ternary alloys.

Variable sound speed in interacting dark energy models

NASA Astrophysics Data System (ADS)

Linton, Mark S.; Pourtsidou, Alkistis; Crittenden, Robert; Maartens, Roy

2018-04-01

We consider a self-consistent and physical approach to interacting dark energy models described by a Lagrangian, and identify a new class of models with variable dark energy sound speed. We show that if the interaction between dark energy in the form of quintessence and cold dark matter is purely momentum exchange this generally leads to a dark energy sound speed that deviates from unity. Choosing a specific sub-case, we study its phenomenology by investigating the effects of the interaction on the cosmic microwave background and linear matter power spectrum. We also perform a global fitting of cosmological parameters using CMB data, and compare our findings to ΛCDM.

Directed self-assembly of diblock copolymers in cylindrical confinement: effect of underfilling and air-polymer interactions on configurations

NASA Astrophysics Data System (ADS)

Carpenter, Corinne L.; Delaney, Kris T.; Laachi, Nabil; Fredrickson, Glenn H.

2015-03-01

Directed self-assembly (DSA) of block copolymers has attracted attention for its use as a simple, cost- effective patterning tool for creating vertical interconnect access (VIA) channels in nanoelectronic devices.1, 2 This technique supplements existing lithographic technologies to allow for the creation of high-resolution cylindrical holes whose diameter and placement can be precisely controlled. In this study, we use self-consistent field theory (SCFT) simulations to investigate the equilibrium configurations of under-filled DSA systems with air-polymer interactions. We report on a series of SCFT simulations of our three species (PMMA-b-PS diblock and air) model in cylindrical confinement to explore the role of template diameter, under-fill fraction (i.e. volume fraction of air), air-polymer surface interaction and polymer-side wall/substrate interactions on equilibrium morphologies in an under-filled template with a free top surface. We identify parameters and system configurations where a meniscus appears and explore cases with PMMA-attractive, PS-attractive, and all-neutral walls to understand the effects of wall properties on meniscus geometry and DSA morphology. An important outcome is an understanding of the parameters that control the contact angle of the meniscus with the wall, as it is one of the simplest quantitative measures of the meniscus shape. Ultimately, we seek to identify DSA formulations, templates, and surface treatments with predictable central cylinder diameter and a shallow contact angle, as these factors would facilitate broad process windows and ease of manufacturing.

DETERMINATION OF SORPTION PARAMETERS FOR 36 VOC/MATERIAL COMBINATIONS

EPA Science Inventory

EPA's Air Pollution Prevention and Control Division is currently investigating sorptive interactions (sink effects) of volatile organic compounds and semi-volatile organic compounds when exposed to common indoor surface materials. The objective is to recommend the best sink mode...

Computation of energy interaction parameters as well as electric dipole intensity parameters for the absorption spectral study of the interaction of Pr(III) with L-phenylalanine, L-glycine, L-alanine and L-aspartic acid in the presence and absence of Ca 2+ in organic solvents

NASA Astrophysics Data System (ADS)

Moaienla, T.; Singh, Th. David; Singh, N. Rajmuhon; Devi, M. Indira

2009-10-01

Studying the absorption difference and comparative absorption spectra of the interaction of Pr(III) and Nd(III) with L-phenylalanine, L-glycine, L-alanine and L-aspartic acid in the presence and absence of Ca 2+ in organic solvents, various energy interaction parameters like Slater-Condon ( FK), Racah ( Ek), Lande factor ( ξ4f), nephelauxetic ratio ( β), bonding ( b1/2), percentage-covalency ( δ) have been evaluated applying partial and multiple regression analysis. The values of oscillator strength ( P) and Judd-Ofelt electric dipole intensity parameter Tλ ( λ = 2, 4, 6) for different 4f-4f transitions have been computed. On analysis of the variation of the various energy interaction parameters as well as the changes in the oscillator strength ( P) and Tλ values reveal the mode of binding with different ligands.

Trace metals, melanin-based pigmentation and their interaction influence immune parameters in feral pigeons (Columba livia).

PubMed

Chatelain, M; Gasparini, J; Frantz, A

2016-04-01

Understanding the effects of trace metals emitted by anthropogenic activities on wildlife is of great concern in urban ecology; yet, information on how they affect individuals, populations, communities and ecosystems remains scarce. In particular, trace metals may impact survival by altering the immune system response to parasites. Plumage melanin is assumed to influence the effects of trace metals on immunity owing to its ability to bind metal ions in feathers and its synthesis being coded by a pleiotropic gene. We thus hypothesized that trace metal exposure would interact with plumage colouration in shaping immune response. We experimentally investigated the interactive effect between exposure to an environmentally relevant range of zinc and/or lead and melanin-based plumage colouration on components of the immune system in feral pigeons (Columba livia). We found that zinc increased anti-keyhole limpet hemocyanin (KLH) IgY primary response maintenance, buffered the negative effect of lead on anti-KLH IgY secondary response maintenance and tended to increase T-cell mediated phytohaemagglutinin (PHA) skin response. Lead decreased the peak of the anti-KLH IgY secondary response. In addition, pheomelanic pigeons exhibited a higher secondary anti-KLH IgY response than did eumelanic ones. Finally, T-cell mediated PHA skin response decreased with increasing plumage eumelanin level of birds exposed to lead. Neither treatments nor plumage colouration correlated with endoparasite intensity. Overall, our study points out the effects of trace metals on some parameters of birds' immunity, independently from other confounding urbanization factors, and underlines the need to investigate their impacts on other life history traits and their consequences in the ecology and evolution of host-parasite interactions.

A simple model for electrical charge in globular macromolecules and linear polyelectrolytes in solution

NASA Astrophysics Data System (ADS)

Krishnan, M.

2017-05-01

We present a model for calculating the net and effective electrical charge of globular macromolecules and linear polyelectrolytes such as proteins and DNA, given the concentration of monovalent salt and pH in solution. The calculation is based on a numerical solution of the non-linear Poisson-Boltzmann equation using a finite element discretized continuum approach. The model simultaneously addresses the phenomena of charge regulation and renormalization, both of which underpin the electrostatics of biomolecules in solution. We show that while charge regulation addresses the true electrical charge of a molecule arising from the acid-base equilibria of its ionizable groups, charge renormalization finds relevance in the context of a molecule's interaction with another charged entity. Writing this electrostatic interaction free energy in terms of a local electrical potential, we obtain an "interaction charge" for the molecule which we demonstrate agrees closely with the "effective charge" discussed in charge renormalization and counterion-condensation theories. The predictions of this model agree well with direct high-precision measurements of effective electrical charge of polyelectrolytes such as nucleic acids and disordered proteins in solution, without tunable parameters. Including the effective interior dielectric constant for compactly folded molecules as a tunable parameter, the model captures measurements of effective charge as well as published trends of pKa shifts in globular proteins. Our results suggest a straightforward general framework to model electrostatics in biomolecules in solution. In offering a platform that directly links theory and experiment, these calculations could foster a systematic understanding of the interrelationship between molecular 3D structure and conformation, electrical charge and electrostatic interactions in solution. The model could find particular relevance in situations where molecular crystal structures are not available or rapid, reliable predictions are desired.

New insights into the mechanism of interaction between CO2 and polymers from thermodynamic parameters obtained by in situ ATR-FTIR spectroscopy.

PubMed

Gabrienko, Anton A; Ewing, Andrew V; Chibiryaev, Andrey M; Agafontsev, Alexander M; Dubkov, Konstantin A; Kazarian, Sergei G

2016-03-07

This work reports new physical insights of the thermodynamic parameters and mechanisms of possible interactions occurring in polymers subjected to high-pressure CO2. ATR-FTIR spectroscopy has been used in situ to determine the thermodynamic parameters of the intermolecular interactions between CO2 and different functional groups of the polymers capable of specific interactions with sorbed CO2 molecules. Based on the measured ATR-FTIR spectra of the polymer samples subjected to high-pressure CO2 (30 bar) at different temperatures (300-340 K), it was possible to characterize polymer-polymer and CO2-polymer interactions. Particularly, the enthalpy and entropy of the formation of the specific non-covalent complexes between CO2 and the hydroxy (-OH), carbonyl (C[double bond, length as m-dash]O) and hydroxyimino ([double bond, length as m-dash]N-OH) functional groups of the polymer samples have been measured. Furthermore, the obtained spectroscopic results have provided an opportunity for the structure of these complexes to be proposed. An interesting phenomenon regarding the behavior of CO2/polymer systems has also been observed. It has been found that only for the polyketone, the value of enthalpy was negative indicating an exothermic process during the formation of the CO2-polymer non-covalent complexes. Conversely, for the polyoxime and polyalcohol samples there is a positive enthalpy determined. This is a result of the initial polymer-polymer interactions requiring more energy to break than is released during the formation of the CO2-polymer complex. The effect of increasing temperature to facilitate the breaking of the polymer-polymer interactions has also been observed. Hence, a mechanism for the formation of CO2-polymer complexes was suggested based on these results, which occurs via a two-step process: (1) the breaking of the existing polymer-polymer interactions followed by (2) the formation of new CO2-polymer non-covalent interactions.

Crystal viscoplasticity model for the creep-fatigue interactions in single-crystal Ni-base superalloy CMSX-8

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

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

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

Alternative solution model for the ternary carbonate system CaCO3 - MgCO3 - FeCO3 - II. Calibration of a combined ordering model and mixing model

USGS Publications Warehouse

McSwiggen, P.L.

1993-01-01

Earlier attempts at solution models for the ternary carbonate system have been unable to adequately accommodate the cation ordering which occurs in some of the carbonate phases. The carbonate solution model of this study combines a Margules type of interaction model with a Bragg-Williams type of ordering model. The ordering model determines the equilibrium state of order for a crystal, from which the cation distribution within the lattice can be obtained. The interaction model addresses the effect that mixing different cation species within a given cation layer has on the total free energy of the system. An ordering model was derived, based on the Bragg-Williams approach; it is applicable to ternary systems involving three cations substituting on two sites, and contains three ordering energy parameters (WCaMg, WCaFe, and WCaMgFe). The solution model of this study involves six Margules-type interaction parameters (W12, W21, W13, W31, W23, and W32). Values for the two sets of energy parameters were calculated from experimental data and from compositional relationships in natural assemblages. ?? 1993 Springer-Verlag.

Crystal viscoplasticity model for the creep-fatigue interactions in single-crystal Ni-base superalloy CMSX-8

DOE PAGES

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

2017-09-11

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

Oil-water interfaces with surfactants: A systematic approach to determine coarse-grained model parameters

NASA Astrophysics Data System (ADS)

Vu, Tuan V.; Papavassiliou, Dimitrios V.

2018-05-01

In order to investigate the interfacial region between oil and water with the presence of surfactants using coarse-grained computations, both the interaction between different components of the system and the number of surfactant molecules present at the interface play an important role. However, in many prior studies, the amount of surfactants used was chosen rather arbitrarily. In this work, a systematic approach to develop coarse-grained models for anionic surfactants (such as sodium dodecyl sulfate) and nonionic surfactants (such as octaethylene glycol monododecyl ether) in oil-water interfaces is presented. The key is to place the theoretically calculated number of surfactant molecules on the interface at the critical micelle concentration. Based on this approach, the molecular description of surfactants and the effects of various interaction parameters on the interfacial tension are investigated. The results indicate that the interfacial tension is affected mostly by the head-water and tail-oil interaction. Even though the procedure presented herein is used with dissipative particle dynamics models, it can be applied for other coarse-grained methods to obtain the appropriate set of parameters (or force fields) to describe the surfactant behavior on the oil-water interface.

Adaptive nodes enrich nonlinear cooperative learning beyond traditional adaptation by links.

PubMed

Sardi, Shira; Vardi, Roni; Goldental, Amir; Sheinin, Anton; Uzan, Herut; Kanter, Ido

2018-03-23

Physical models typically assume time-independent interactions, whereas neural networks and machine learning incorporate interactions that function as adjustable parameters. Here we demonstrate a new type of abundant cooperative nonlinear dynamics where learning is attributed solely to the nodes, instead of the network links which their number is significantly larger. The nodal, neuronal, fast adaptation follows its relative anisotropic (dendritic) input timings, as indicated experimentally, similarly to the slow learning mechanism currently attributed to the links, synapses. It represents a non-local learning rule, where effectively many incoming links to a node concurrently undergo the same adaptation. The network dynamics is now counterintuitively governed by the weak links, which previously were assumed to be insignificant. This cooperative nonlinear dynamic adaptation presents a self-controlled mechanism to prevent divergence or vanishing of the learning parameters, as opposed to learning by links, and also supports self-oscillations of the effective learning parameters. It hints on a hierarchical computational complexity of nodes, following their number of anisotropic inputs and opens new horizons for advanced deep learning algorithms and artificial intelligence based applications, as well as a new mechanism for enhanced and fast learning by neural networks.

Morphometric and landsliding analyses in chain domain: the Roccella basin, NE Sicily, Italy

NASA Astrophysics Data System (ADS)

Rapisarda, Francesco

2009-10-01

The dynamic interaction of endogenic and exogenic processes in active geodynamic context leads to the deterioration of the physico-mechanical characteristics of the rocks, inducing slopes instability. In such context, the morphometric parameters and the analysis of landslide distribution contribute to appraise the evolutive state of hydrographic basins. The aim of the study is the morphometric characterization of the Roccella Torrent basin (Rtb) located in South Italy. Landsliding and tectonic structure dynamically interact with the drainage pattern that records these effects and permits the definition of the evolutive geomorphic stage of the basin. The Air Photograph Investigation and field surveys permitted to draw the main geomorphic features, the drainage pattern of the Rtb, to calculate the morphometric parameters and to delimit the landslides’ bodies. Detailed analysis about the landslide distribution within a test site 17 km2 wide were carried out to elaborate indicative indexes of the landslides type and to single out the lithotypes that are more involved in slope instability phenomena. The morphometric parameters indicate the rejuvenation state within the Rtb where the stream reaches show the effects of increased energy relief in agreement with the geological settings of this sector of the Apennine-Maghrebian Chain.

Effect of tool geometry and cutting parameters on delamination and thrust forces in drilling CFRP/Al-Li

NASA Astrophysics Data System (ADS)

El Bouami, Souhail; Habak, Malek; Franz, Gérald; Velasco, Raphaël; Vantomme, Pascal

2016-10-01

Composite materials are increasingly used for structural parts in the aeronautic industries. Carbon Fiber-Reinforced Plastics (CFRP) are often used in combination with metallic materials, mostly aluminium alloys. This raises new problems in aircraft assembly. Delamination is one of these problems. In this study, CFRP/Al-Li stacks is used as experimental material for investigation effect of interaction of cutting parameters (cutting speed and feed rate) and tool geometry on delamination and thrust forces in drilling operation. A plan of experiments, based on Taguchi design method, was employed to investigate the influence of tool geometry and in particular the point angle and cutting parameters on delamination and axial effort. The experimental results demonstrate that the feed rate is the major parameter and the importance of tool point angle in delamination and thrust forces in the stacks were shown.

Lotka-Volterra pairwise modeling fails to capture diverse pairwise microbial interactions

PubMed Central

Momeni, Babak; Xie, Li; Shou, Wenying

2017-01-01

Pairwise models are commonly used to describe many-species communities. In these models, an individual receives additive fitness effects from pairwise interactions with each species in the community ('additivity assumption'). All pairwise interactions are typically represented by a single equation where parameters reflect signs and strengths of fitness effects ('universality assumption'). Here, we show that a single equation fails to qualitatively capture diverse pairwise microbial interactions. We build mechanistic reference models for two microbial species engaging in commonly-found chemical-mediated interactions, and attempt to derive pairwise models. Different equations are appropriate depending on whether a mediator is consumable or reusable, whether an interaction is mediated by one or more mediators, and sometimes even on quantitative details of the community (e.g. relative fitness of the two species, initial conditions). Our results, combined with potential violation of the additivity assumption in many-species communities, suggest that pairwise modeling will often fail to predict microbial dynamics. DOI: http://dx.doi.org/10.7554/eLife.25051.001 PMID:28350295

Local versus global interactions in nonequilibrium transitions: A model of social dynamics

NASA Astrophysics Data System (ADS)

González-Avella, J. C.; Eguíluz, V. M.; Cosenza, M. G.; Klemm, K.; Herrera, J. L.; San Miguel, M.

2006-04-01

A nonequilibrium system of locally interacting elements in a lattice with an absorbing order-disorder phase transition is studied under the effect of additional interacting fields. These fields are shown to produce interesting effects in the collective behavior of this system. Both for autonomous and external fields, disorder grows in the system when the probability of the elements to interact with the field is increased. There exists a threshold value of this probability beyond which the system is always disordered. The domain of parameters of the ordered regime is larger for nonuniform local fields than for spatially uniform fields. However, the zero field limit is discontinous. In the limit of vanishingly small probability of interaction with the field, autonomous or external fields are able to order a system that would fall in a disordered phase under local interactions of the elements alone. We consider different types of fields which are interpreted as forms of mass media acting on a social system in the context of Axelrod’s model for cultural dissemination.

Local versus global interactions in nonequilibrium transitions: A model of social dynamics.

PubMed

González-Avella, J C; Eguíluz, V M; Cosenza, M G; Klemm, K; Herrera, J L; San Miguel, M

2006-04-01

A nonequilibrium system of locally interacting elements in a lattice with an absorbing order-disorder phase transition is studied under the effect of additional interacting fields. These fields are shown to produce interesting effects in the collective behavior of this system. Both for autonomous and external fields, disorder grows in the system when the probability of the elements to interact with the field is increased. There exists a threshold value of this probability beyond which the system is always disordered. The domain of parameters of the ordered regime is larger for nonuniform local fields than for spatially uniform fields. However, the zero field limit is discontinous. In the limit of vanishingly small probability of interaction with the field, autonomous or external fields are able to order a system that would fall in a disordered phase under local interactions of the elements alone. We consider different types of fields which are interpreted as forms of mass media acting on a social system in the context of Axelrod's model for cultural dissemination.

A review of oil, dispersed oil and sediment interactions in the aquatic environment: influence on the fate, transport and remediation of oil spills.

PubMed

Gong, Yanyan; Zhao, Xiao; Cai, Zhengqing; O'Reilly, S E; Hao, Xiaodi; Zhao, Dongye

2014-02-15

The 2010 Deepwater Horizon oil spill has spurred significant amounts of researches on fate, transport, and environmental impacts of oil and oil dispersants. This review critically summarizes what is understood to date about the interactions between oil, oil dispersants and sediments, their roles in developing oil spill countermeasures, and how these interactions may change in deepwater environments. Effects of controlling parameters, such as sediment particle size and concentration, organic matter content, oil properties, and salinity on oil-sediment interactions are described in detail. Special attention is placed to the application and effects of oil dispersants on the rate and extent of the interactions between oil and sediment or suspended particulate materials. Various analytical methods are discussed for characterization of oil-sediment interactions. Current knowledge gaps are identified and further research needs are proposed to facilitate sounder assessment of fate and impacts of oil spills in the marine environment. Copyright © 2013 Elsevier Ltd. All rights reserved.

Distinguishing boson stars from black holes and neutron stars from tidal interactions in inspiraling binary systems

NASA Astrophysics Data System (ADS)

Sennett, Noah; Hinderer, Tanja; Steinhoff, Jan; Buonanno, Alessandra; Ossokine, Serguei

2017-07-01

Binary systems containing boson stars—self-gravitating configurations of a complex scalar field—can potentially mimic black holes or neutron stars as gravitational-wave sources. We investigate the extent to which tidal effects in the gravitational-wave signal can be used to discriminate between these standard sources and boson stars. We consider spherically symmetric boson stars within two classes of scalar self-interactions: an effective-field-theoretically motivated quartic potential and a solitonic potential constructed to produce very compact stars. We compute the tidal deformability parameter characterizing the dominant tidal imprint in the gravitational-wave signals for a large span of the parameter space of each boson star model, covering the entire space in the quartic case, and an extensive portion of interest in the solitonic case. We find that the tidal deformability for boson stars with a quartic self-interaction is bounded below by Λmin≈280 and for those with a solitonic interaction by Λmin≈1.3 . We summarize our results as ready-to-use fits for practical applications. Employing a Fisher matrix analysis, we estimate the precision with which Advanced LIGO and third-generation detectors can measure these tidal parameters using the inspiral portion of the signal. We discuss a novel strategy to improve the distinguishability between black holes/neutrons stars and boson stars by combining tidal deformability measurements of each compact object in a binary system, thereby eliminating the scaling ambiguities in each boson star model. Our analysis shows that current-generation detectors can potentially distinguish boson stars with quartic potentials from black holes, as well as from neutron-star binaries if they have either a large total mass or a large (asymmetric) mass ratio. Discriminating solitonic boson stars from black holes using only tidal effects during the inspiral will be difficult with Advanced LIGO, but third-generation detectors should be able to distinguish between binary black holes and these binary boson stars.

On the direct detection of multi-component dark matter: sensitivity studies and parameter estimation

NASA Astrophysics Data System (ADS)

Herrero-Garcia, Juan; Scaffidi, Andre; White, Martin; Williams, Anthony G.

2017-11-01

We study the case of multi-component dark matter, in particular how direct detection signals are modified in the presence of several stable weakly-interacting-massive particles. Assuming a positive signal in a future direct detection experiment, stemming from two dark matter components, we study the region in parameter space where it is possible to distinguish a one from a two-component dark matter spectrum. First, we leave as free parameters the two dark matter masses and show that the two hypotheses can be significantly discriminated for a range of dark matter masses with their splitting being the critical factor. We then investigate how including the effects of different interaction strengths, local densities or velocity dispersions for the two components modifies these conclusions. We also consider the case of isospin-violating couplings. In all scenarios, we show results for various types of nuclei both for elastic spin-independent and spin-dependent interactions. Finally, assuming that the two-component hypothesis is confirmed, we quantify the accuracy with which the parameters can be extracted and discuss the different degeneracies that occur. This includes studying the case in which only a single experiment observes a signal, and also the scenario of having two signals from two different experiments, in which case the ratios of the couplings to neutrons and protons may also be extracted.

On the Wrapping of Polyglycolide, Poly(Ethylene Oxide), and Polyketone Polymer Chains Around Single-Walled Carbon Nanotubes Using Molecular Dynamics Simulations

NASA Astrophysics Data System (ADS)

Rouhi, S.; Alizadeh, Y.; Ansari, R.

2015-02-01

By using molecular dynamics simulations, the interaction between a single-walled carbon nanotube and three different polymers has been studied in this work. The effects of various parameters such as the nanotube geometry and temperature on the interaction energy and radius of gyration of polymers have been explored. By studying the snapshots of polymers along the single-walled carbon nanotube, it has been shown that 50 ps can be considered as a suitable time after which the shape of polymer chains around the nanotube remains almost unchanged. It is revealed that the effect of temperature on the interaction energy and radius of gyration of polymers in the range of 250 to 500 K is not significant Also, it is shown that the interaction energy depends on the nanotube diameter.

Fluorescence study on the interaction of human serum albumin with Butein in liposomes

NASA Astrophysics Data System (ADS)

Toprak, Mahmut

2016-02-01

The interaction of Butein with human serum albumin in L-egg lecithin phosphatidycholine (PC) liposome has been investigated by fluorescence and absorption spectroscopy. The results of the fluorescence measurement indicated that Butein effectively quenched the intrinsic fluorescence of HSA via static quenching. The Stern-Volmer plots in all the liposome solutions showed a positive deviation from the linearity. According to the thermodynamic parameters, the hydrophobic interactions appeared be the major interaction forces between Butein and HSA. The effect of Butein on the conformation of HSA was also investigated by the synchronous fluorescence under the same experimental conditions. In addition, the partition coefficient of the Butein in the PC liposomes was also determined by using the fluorescence quenching process. The obtained results can be of biological significance in pharmacology and clinical medicine.

Magnetism and Solid Solution Effects in NiAI (40% AI) Alloys

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

Liu, Chain T; Fu, Chong Long; Chisholm, Matthew F

2007-01-01

The solid solution effects of ternary additions of transition elements in intermetallic Ni-40% Al were investigated by both experimental studies and theoretical calculations. Co solute atoms when sitting at Ni sublattice sites do not affect the lattice parameter and hardening behavior of Ni-40Al. On the other hand, Fe, Mn, and Cr solutes, which are mainly on Al sublattice sites, substantially expand the lattice parameter and produce an unusual solid solution softening effect. First-principles calculations predict that these solute atoms with large unfilled d-band electrons develop large magnetic moments and effectively expand the lattice parameter when occupying Al sublattice sites. Themore » theoretical predictions were verified by both electron loss-energy spectroscopy (EELS) analyses and magnetic susceptibility measurements. The observed softening behavior can be explained quantitatively by the replacement of Ni anti-site defects (potent hardeners) by Fe, Mn, and Cr anti-site defects with smaller atom size mismatch between solute and Al atoms. This study has led to the identification of magnetic interaction as an important physical parameter affecting the solid solution hardening in intermetallic alloys containing transition elements.« less

Quantum metrology and estimation of Unruh effect

PubMed Central

Wang, Jieci; Tian, Zehua; Jing, Jiliang; Fan, Heng

2014-01-01

We study the quantum metrology for a pair of entangled Unruh-Dewitt detectors when one of them is accelerated and coupled to a massless scalar field. Comparing with previous schemes, our model requires only local interaction and avoids the use of cavities in the probe state preparation process. We show that the probe state preparation and the interaction between the accelerated detector and the external field have significant effects on the value of quantum Fisher information, correspondingly pose variable ultimate limit of precision in the estimation of Unruh effect. We find that the precision of the estimation can be improved by a larger effective coupling strength and a longer interaction time. Alternatively, the energy gap of the detector has a range that can provide us a better precision. Thus we may adjust those parameters and attain a higher precision in the estimation. We also find that an extremely high acceleration is not required in the quantum metrology process. PMID:25424772

qPIPSA: Relating enzymatic kinetic parameters and interaction fields

PubMed Central

Gabdoulline, Razif R; Stein, Matthias; Wade, Rebecca C

2007-01-01

Background The simulation of metabolic networks in quantitative systems biology requires the assignment of enzymatic kinetic parameters. Experimentally determined values are often not available and therefore computational methods to estimate these parameters are needed. It is possible to use the three-dimensional structure of an enzyme to perform simulations of a reaction and derive kinetic parameters. However, this is computationally demanding and requires detailed knowledge of the enzyme mechanism. We have therefore sought to develop a general, simple and computationally efficient procedure to relate protein structural information to enzymatic kinetic parameters that allows consistency between the kinetic and structural information to be checked and estimation of kinetic constants for structurally and mechanistically similar enzymes. Results We describe qPIPSA: quantitative Protein Interaction Property Similarity Analysis. In this analysis, molecular interaction fields, for example, electrostatic potentials, are computed from the enzyme structures. Differences in molecular interaction fields between enzymes are then related to the ratios of their kinetic parameters. This procedure can be used to estimate unknown kinetic parameters when enzyme structural information is available and kinetic parameters have been measured for related enzymes or were obtained under different conditions. The detailed interaction of the enzyme with substrate or cofactors is not modeled and is assumed to be similar for all the proteins compared. The protein structure modeling protocol employed ensures that differences between models reflect genuine differences between the protein sequences, rather than random fluctuations in protein structure. Conclusion Provided that the experimental conditions and the protein structural models refer to the same protein state or conformation, correlations between interaction fields and kinetic parameters can be established for sets of related enzymes. Outliers may arise due to variation in the importance of different contributions to the kinetic parameters, such as protein stability and conformational changes. The qPIPSA approach can assist in the validation as well as estimation of kinetic parameters, and provide insights into enzyme mechanism. PMID:17919319

Effect of Helical Slow-Wave Circuit Variations on TWT Cold-Test Characteristics

NASA Technical Reports Server (NTRS)

Kory, Carol L.; Dayton, J. A., Jr.

1998-01-01

Recent advances in the state of the art of computer modeling offer the possibility for the first time to evaluate the effect that slow-wave structure parameter variations, such as manufacturing tolerances, have on the cold-test characteristics of helical traveling-wave tubes (TWT's). This will enable manufacturers to determine the cost effectiveness of controlling the dimensions of the component parts of the TWT, which is almost impossible to do experimentally without building a large number of tubes and controlling several parameters simultaneously. The computer code MAFIA is used in this analysis to determine the effect on dispersion and on-axis interaction impedance of several helical slow-wave circuit parameter variations, including thickness and relative dielectric constant of the support rods, tape width, and height of the metallized films deposited on the dielectric rods. Previous computer analyzes required so many approximations that accurate determinations of the effect of many relevant dimensions on tube performance were practically impossible.

Effect of Helical Slow-Wave Circuit Variations on TWT Cold-Test Characteristics

NASA Technical Reports Server (NTRS)

Kory, Carol L.; Dayton, James A., Jr.

1997-01-01

Recent advances in the state of the art of computer modeling offer the possibility for the first time to evaluate the effect that slow-wave structure parameter variations, such as manufacturing tolerances, have on the cold-test characteristics of helical traveling-wave tubes (TWT's). This will enable manufacturers to determine the cost effectiveness of controlling the dimensions of the component parts of the TWT, which is almost impossible to do experimentally without building a large number of tubes and controlling several parameters simultaneously. The computer code MAFIA is used in this analysis to determine the effect on dispersion and on-axis interaction impedance of several helical slow-wave circuit parameter variations, including thickness and relative dielectric constant of the support rods, tape width, and height of the metallized films deposited on the dielectric rods. Previous computer analyses required so many approximations that accurate determinations of the effect of many relevant dimensions on tube performance were practically impossible.

Effect of Helical Slow-Wave Circuit Variations on TWT Cold-Test Characteristics

NASA Technical Reports Server (NTRS)

Kory, Carol L.; Dayton, James A., Jr.

1998-01-01

Recent advances in the state of the art of computer modeling offer the possibility for the first time to evaluate the effect that slow-wave structure parameter variations, such'as manufacturing tolerances, have on the cold-test characteristics of helical traveling-wave tubes (TWT's). This will enable manufacturers to determine the cost effectiveness of controlling the dimensions of the component parts of the TWT, which is almost impossible to do experimentally without building a large number of tubes and controlling several parameters simultaneously. The computer code MAxwell's equations by the Finite Integration Algorithm (MAFIA) is used in this analysis to determine the effect on dispersion and on-axis interaction impedance of several helical slow-wave circuit parameter variations, including thickness and relative dielectric constant of the support rods, tape width, and height of the metallized films deposited on the dielectric rods. Previous computer analyzes required so many approximations that accurate determinations of the effect of many relevant dimensions on tube performance were practically impossible.

Excitation of Kelvin Helmholtz instability by an ion beam in a plasma with negatively charged dust grains

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

Rani, Kavita; Sharma, Suresh C.

2015-02-15

An ion beam propagating through a magnetized dusty plasma drives Kelvin Helmholtz Instability (KHI) via Cerenkov interaction. The frequency of the unstable wave increases with the relative density of negatively charged dust grains. It is observed that the beam has stabilizing effect on the growth rate of KHI for low shear parameter, but for high shear parameter, the instability is destabilized with relative density of negatively charged dust grains.

Experimental evidence for the evolution of indirect genetic effects: changes in the interaction effect coefficient, psi (Psi), due to sexual selection.

PubMed

Chenoweth, Stephen F; Rundle, Howard D; Blows, Mark W

2010-06-01

Indirect genetics effects (IGEs)--when the genotype of one individual affects the phenotypic expression of a trait in another--may alter evolutionary trajectories beyond that predicted by standard quantitative genetic theory as a consequence of genotypic evolution of the social environment. For IGEs to occur, the trait of interest must respond to one or more indicator traits in interacting conspecifics. In quantitative genetic models of IGEs, these responses (reaction norms) are termed interaction effect coefficients and are represented by the parameter psi (Psi). The extent to which Psi exhibits genetic variation within a population, and may therefore itself evolve, is unknown. Using an experimental evolution approach, we provide evidence for a genetic basis to the phenotypic response caused by IGEs on sexual display traits in Drosophila serrata. We show that evolution of the response is affected by sexual but not natural selection when flies adapt to a novel environment. Our results indicate a further mechanism by which IGEs can alter evolutionary trajectories--the evolution of interaction effects themselves.

The influence of interspecific interactions on species range expansion rates

USGS Publications Warehouse

Svenning, Jens-Christian; Gravel, Dominique; Holt, Robert D.; Schurr, Frank M.; Thuiller, Wilfried; Münkemüller, Tamara; Schiffers, Katja H.; Dullinger, Stefan; Edwards, Thomas C.; Hickler, Thomas; Higgins, Steven I.; Nabel, Julia E.M.S.; Pagel, Jörn; Normand, Signe

2014-01-01

Ongoing and predicted global change makes understanding and predicting species’ range shifts an urgent scientific priority. Here, we provide a synthetic perspective on the so far poorly understood effects of interspecific interactions on range expansion rates. We present theoretical foundations for how interspecific interactions may modulate range expansion rates, consider examples from empirical studies of biological invasions and natural range expansions as well as process-based simulations, and discuss how interspecific interactions can be more broadly represented in process-based, spatiotemporally explicit range forecasts. Theory tells us that interspecific interactions affect expansion rates via alteration of local population growth rates and spatial displacement rates, but also via effects on other demographic parameters. The best empirical evidence for interspecific effects on expansion rates comes from studies of biological invasions. Notably, invasion studies indicate that competitive dominance and release from specialized enemies can enhance expansion rates. Studies of natural range expansions especially point to the potential for competition from resident species to reduce expansion rates. Overall, it is clear that interspecific interactions may have important consequences for range dynamics, but also that their effects have received too little attention to robustly generalize on their importance. We then discuss how interspecific interactions effects can be more widely incorporated in dynamic modeling of range expansions. Importantly, models must describe spatiotemporal variation in both local population dynamics and dispersal. Finally, we derive the following guidelines for when it is particularly important to explicitly represent interspecific interactions in dynamic range expansion forecasts: if most interacting species show correlated spatial or temporal trends in their effects on the target species, if the number of interacting species is low, and if the abundance of one or more strongly interacting species is not closely linked to the abundance of the target species.

The influence of interspecific interactions on species range expansion rates.

PubMed

Svenning, Jens-Christian; Gravel, Dominique; Holt, Robert D; Schurr, Frank M; Thuiller, Wilfried; Münkemüller, Tamara; Schiffers, Katja H; Dullinger, Stefan; Edwards, Thomas C; Hickler, Thomas; Higgins, Steven I; Nabel, Julia E M S; Pagel, Jörn; Normand, Signe

2014-12-01

Ongoing and predicted global change makes understanding and predicting species' range shifts an urgent scientific priority. Here, we provide a synthetic perspective on the so far poorly understood effects of interspecific interactions on range expansion rates. We present theoretical foundations for how interspecific interactions may modulate range expansion rates, consider examples from empirical studies of biological invasions and natural range expansions as well as process-based simulations, and discuss how interspecific interactions can be more broadly represented in process-based, spatiotemporally explicit range forecasts. Theory tells us that interspecific interactions affect expansion rates via alteration of local population growth rates and spatial displacement rates, but also via effects on other demographic parameters. The best empirical evidence for interspecific effects on expansion rates comes from studies of biological invasions. Notably, invasion studies indicate that competitive dominance and release from specialized enemies can enhance expansion rates. Studies of natural range expansions especially point to the potential for competition from resident species to reduce expansion rates. Overall, it is clear that interspecific interactions may have important consequences for range dynamics, but also that their effects have received too little attention to robustly generalize on their importance. We then discuss how interspecific interactions effects can be more widely incorporated in dynamic modeling of range expansions. Importantly, models must describe spatiotemporal variation in both local population dynamics and dispersal. Finally, we derive the following guidelines for when it is particularly important to explicitly represent interspecific interactions in dynamic range expansion forecasts: if most interacting species show correlated spatial or temporal trends in their effects on the target species, if the number of interacting species is low, and if the abundance of one or more strongly interacting species is not closely linked to the abundance of the target species.

The influence of interspecific interactions on species range expansion rates

PubMed Central

Svenning, Jens-Christian; Gravel, Dominique; Holt, Robert D.; Schurr, Frank M.; Thuiller, Wilfried; Münkemüller, Tamara; Schiffers, Katja H.; Dullinger, Stefan; Edwards, Thomas C.; Hickler, Thomas; Higgins, Steven I.; Nabel, Julia E. M. S.; Pagel, Jörn; Normand, Signe

2014-01-01

Ongoing and predicted global change makes understanding and predicting species’ range shifts an urgent scientific priority. Here, we provide a synthetic perspective on the so far poorly understood effects of interspecific interactions on range expansion rates. We present theoretical foundations for how interspecific interactions may modulate range expansion rates, consider examples from empirical studies of biological invasions and natural range expansions as well as process-based simulations, and discuss how interspecific interactions can be more broadly represented in process-based, spatiotemporally explicit range forecasts. Theory tells us that interspecific interactions affect expansion rates via alteration of local population growth rates and spatial displacement rates, but also via effects on other demographic parameters. The best empirical evidence for interspecific effects on expansion rates comes from studies of biological invasions. Notably, invasion studies indicate that competitive dominance and release from specialized enemies can enhance expansion rates. Studies of natural range expansions especially point to the potential for competition from resident species to reduce expansion rates. Overall, it is clear that interspecific interactions may have important consequences for range dynamics, but also that their effects have received too little attention to robustly generalize on their importance. We then discuss how interspecific interactions effects can be more widely incorporated in dynamic modeling of range expansions. Importantly, models must describe spatiotemporal variation in both local population dynamics and dispersal. Finally, we derive the following guidelines for when it is particularly important to explicitly represent interspecific interactions in dynamic range expansion forecasts: if most interacting species show correlated spatial or temporal trends in their effects on the target species, if the number of interacting species is low, and if the abundance of one or more strongly interacting species is not closely linked to the abundance of the target species. PMID:25722537

Human-robot interaction: kinematics and muscle activity inside a powered compliant knee exoskeleton.

PubMed

Knaepen, Kristel; Beyl, Pieter; Duerinck, Saartje; Hagman, Friso; Lefeber, Dirk; Meeusen, Romain

2014-11-01

Until today it is not entirely clear how humans interact with automated gait rehabilitation devices and how we can, based on that interaction, maximize the effectiveness of these exoskeletons. The goal of this study was to gain knowledge on the human-robot interaction, in terms of kinematics and muscle activity, between a healthy human motor system and a powered knee exoskeleton (i.e., KNEXO). Therefore, temporal and spatial gait parameters, human joint kinematics, exoskeleton kinetics and muscle activity during four different walking trials in 10 healthy male subjects were studied. Healthy subjects can walk with KNEXO in patient-in-charge mode with some slight constraints in kinematics and muscle activity primarily due to inertia of the device. Yet, during robot-in-charge walking the muscular constraints are reversed by adding positive power to the leg swing, compensating in part this inertia. Next to that, KNEXO accurately records and replays the right knee kinematics meaning that subject-specific trajectories can be implemented as a target trajectory during assisted walking. No significant differences in the human response to the interaction with KNEXO in low and high compliant assistance could be pointed out. This is in contradiction with our hypothesis that muscle activity would decrease with increasing assistance. It seems that the differences between the parameter settings of low and high compliant control might not be sufficient to observe clear effects in healthy subjects. Moreover, we should take into account that KNEXO is a unilateral, 1 degree-of-freedom device.

Ultracold fermions in a one-dimensional bipartite optical lattice: Metal-insulator transitions driven by shaking

NASA Astrophysics Data System (ADS)

Di Liberto, M.; Malpetti, D.; Japaridze, G. I.; Morais Smith, C.

2014-08-01

We theoretically investigate the behavior of a system of fermionic atoms loaded in a bipartite one-dimensional optical lattice that is under the action of an external time-periodic driving force. By using Floquet theory, an effective model is derived. The bare hopping coefficients are renormalized by zeroth-order Bessel functions of the first kind with different arguments for the nearest-neighbor and next-nearest-neighbor hopping. The insulating behavior characterizing the system at half filling in the absence of driving is dynamically suppressed, and for particular values of the driving parameter the system becomes either a standard metal or an unconventional metal with four Fermi points. The existence of the four-Fermi-point metal relies on the fact that, as a consequence of the shaking procedure, the next-nearest-neighbor hopping coefficients become significant compared to the nearest-neighbor ones. We use the bosonization technique to investigate the effect of on-site Hubbard interactions on the four-Fermi-point metal-insulator phase transition. Attractive interactions are expected to enlarge the regime of parameters where the unconventional metallic phase arises, whereas repulsive interactions reduce it. This metallic phase is known to be a Luther-Emery liquid (spin-gapped metal) for both repulsive and attractive interactions, contrary to the usual Hubbard model, which exhibits a Mott-insulator phase for repulsive interactions. Ultracold fermions in driven one-dimensional bipartite optical lattices provide an interesting platform for the realization of this long-studied four-Fermi-point unconventional metal.

Quantitative relations between interaction parameter, miscibility and function in organic solar cells

NASA Astrophysics Data System (ADS)

Ye, Long; Hu, Huawei; Ghasemi, Masoud; Wang, Tonghui; Collins, Brian A.; Kim, Joo-Hyun; Jiang, Kui; Carpenter, Joshua H.; Li, Hong; Li, Zhengke; McAfee, Terry; Zhao, Jingbo; Chen, Xiankai; Lai, Joshua Lin Yuk; Ma, Tingxuan; Bredas, Jean-Luc; Yan, He; Ade, Harald

2018-03-01

Although it is known that molecular interactions govern morphology formation and purity of mixed domains of conjugated polymer donors and small-molecule acceptors, and thus largely control the achievable performance of organic solar cells, quantifying interaction-function relations has remained elusive. Here, we first determine the temperature-dependent effective amorphous-amorphous interaction parameter, χaa(T), by mapping out the phase diagram of a model amorphous polymer:fullerene material system. We then establish a quantitative `constant-kink-saturation' relation between χaa and the fill factor in organic solar cells that is verified in detail in a model system and delineated across numerous high- and low-performing materials systems, including fullerene and non-fullerene acceptors. Our experimental and computational data reveal that a high fill factor is obtained only when χaa is large enough to lead to strong phase separation. Our work outlines a basis for using various miscibility tests and future simulation methods that will significantly reduce or eliminate trial-and-error approaches to material synthesis and device fabrication of functional semiconducting blends and organic blends in general.

Bipolarons in one-dimensional extended Peierls-Hubbard models

NASA Astrophysics Data System (ADS)

Sous, John; Chakraborty, Monodeep; Krems, Roman; Berciu, Mona

2017-04-01

We study two particles in an infinite chain and coupled to phonons by interactions that modulate their hopping as described by the Peierls/Su-Schrieffer-Heeger (SSH) model. In the case of hard-core bare particles, we show that exchange of phonons generates effective nearest-neighbor repulsion between particles and also gives rise to interactions that move the pair as a whole. The two-polaron phase diagram exhibits two sharp transitions, leading to light dimers at strong coupling and the flattening of the dimer dispersion at some critical values of the parameters. This dimer (quasi)self-trapping occurs at coupling strengths where single polarons are mobile. On the other hand, in the case of soft-core particles/ spinfull fermions, we show that phonon-mediated interactions are attractive and result in strongly bound and mobile bipolarons in a wide region of parameter space. This illustrates that, depending on the strength of the phonon-mediated interactions and statistics of bare particles, the coupling to phonons may completely suppress or strongly enhance quantum transport of correlated particles. This work was supported by NSERC of Canada and the Stewart Blusson Quantum Matter Institute.

Magnetic susceptibility and spin-lattice interactions in U1-xPuxO2 single crystals

NASA Astrophysics Data System (ADS)

Kolberg, D.; Wastin, F.; Rebizant, J.; Boulet, P.; Lander, G. H.; Schoenes, J.

2002-12-01

Single crystals of mixed uranium-plutonium dioxides have been grown by means of a chemical vapor transport reaction and characterized by x-ray diffraction on bulk and powdered single crystals. Magnetization and susceptibility data were taken using a commercial superconducting quantum interference device. Characteristic ordering temperatures have been determined as well as paramagnetic Curie temperatures and effective magnetic moments. Departures of the reciprocal susceptibility as a function of temperature from linearity have been treated in detail based on a model of vibronic interactions introduced to explain the gross features of susceptibility measurements on thorium-diluted UO2 [Sasaki and Obata, J. Phys. Soc. Jpn. 28, 1157 (1970)]. The influence of spin-lattice interactions causes a certain shape of the observed 1/χ vs T curves from which we are able to suggest different mechanisms for the interactions as a function of the constituent’s concentrations. From our susceptibility measurements characteristic parameters have been calculated using a model of tetragonal vibrational modes of the oxygen cage surrounding each uranium ion. These include specific coupling parameters G, mode characteristic temperatures Tω, and molecular-field constants λ.

Analytical study on the generalized Davydov model in the alpha helical proteins

NASA Astrophysics Data System (ADS)

Wang, Pan; Xiao, Shu-Hong; Chen, Li; Yang, Gang

2017-06-01

In this paper, we investigate the dynamics of a generalized Davydov model derived from an infinite chain of alpha helical protein molecules which contain three hydrogen bonding spines running almost parallel to the helical axis. Through the introduction of the auxiliary function, the bilinear form, one-, two- and three-soliton solutions for the generalized Davydov model are obtained firstly. Propagation and interactions of solitons have been investigated analytically and graphically. The amplitude of the soliton is only related to the complex parameter μ and real parameter 𝜃 with a range of [0, 2π]. The velocity of the soliton is only related to the complex parameter μ, real parameter 𝜃, lattice parameter 𝜀, and physical parameters β1, β3 and β4. Overtaking and head-on interactions of two and three solitons are presented. The common in the interactions of three solitons is the directions of the solitons change after the interactions. The soliton derived in this paper is expected to have potential applications in the alpha helical proteins.

Interaction of the alpha-toxin of Staphylococcus aureus with the liposome membrane.

PubMed

Ikigai, H; Nakae, T

1987-02-15

When the liposome membrane is exposed to the alpha-toxin of Staphylococcus aureus, fluorescence of the tryptophan residue(s) of the toxin molecule increases concomitantly with the degree of toxin-hexamer formation (Ikigai, H., and Nakae, T. (1985) Biochem. Biophys. Res. Commun. 130, 175-181). In the present study, the toxin-membrane interaction was distinguished from the hexamer formation by the fluorescence energy transfer from the tryptophan residue(s) of the toxin molecule to the dansylated phosphatidylethanolamine in phosphatidylcholine liposome. Measurement of these two parameters yielded the following results. The effect of the toxin concentration and phospholipid concentration on these two parameters showed first order kinetics. The effect of liposome size on the energy transfer and the fluorescence increment of the tryptophan residue(s) was only detectable in small liposomes. Under moderately acidic or basic conditions, the fluorescence energy transfer always preceded the fluorescence increment of the tryptophan residue(s). The fluorescence increment at 336 nm at temperatures below 20 degrees C showed a latent period, whereas the fluorescence energy transfer did not. These results were thought to indicate that when alpha-toxin damages the target membrane, the molecule interacts with the membrane first, and then undergoes oligomerization within the membrane.

Enhanced effect of temporal variation of the fine structure constant and the strong interaction in 229Th.

PubMed

Flambaum, V V

2006-09-01

The relative effects of the variation of the fine structure constant alpha = e2/variant Planck's over 2pi c and the dimensionless strong interaction parameter m(q)/LambdaQCD are enhanced by 5-6 orders of magnitude in a very narrow ultraviolet transition between the ground and the first excited states in the 229Th nucleus. It may be possible to investigate this transition with laser spectroscopy. Such an experiment would have the potential of improving the sensitivity to temporal variation of the fundamental constants by many orders of magnitude.

Electrical circuit modeling and analysis of microwave acoustic interaction with biological tissues.

PubMed

Gao, Fei; Zheng, Qian; Zheng, Yuanjin

2014-05-01

Numerical study of microwave imaging and microwave-induced thermoacoustic imaging utilizes finite difference time domain (FDTD) analysis for simulation of microwave and acoustic interaction with biological tissues, which is time consuming due to complex grid-segmentation and numerous calculations, not straightforward due to no analytical solution and physical explanation, and incompatible with hardware development requiring circuit simulator such as SPICE. In this paper, instead of conventional FDTD numerical simulation, an equivalent electrical circuit model is proposed to model the microwave acoustic interaction with biological tissues for fast simulation and quantitative analysis in both one and two dimensions (2D). The equivalent circuit of ideal point-like tissue for microwave-acoustic interaction is proposed including transmission line, voltage-controlled current source, envelop detector, and resistor-inductor-capacitor (RLC) network, to model the microwave scattering, thermal expansion, and acoustic generation. Based on which, two-port network of the point-like tissue is built and characterized using pseudo S-parameters and transducer gain. Two dimensional circuit network including acoustic scatterer and acoustic channel is also constructed to model the 2D spatial information and acoustic scattering effect in heterogeneous medium. Both FDTD simulation, circuit simulation, and experimental measurement are performed to compare the results in terms of time domain, frequency domain, and pseudo S-parameters characterization. 2D circuit network simulation is also performed under different scenarios including different sizes of tumors and the effect of acoustic scatterer. The proposed circuit model of microwave acoustic interaction with biological tissue could give good agreement with FDTD simulated and experimental measured results. The pseudo S-parameters and characteristic gain could globally evaluate the performance of tumor detection. The 2D circuit network enables the potential to combine the quasi-numerical simulation and circuit simulation in a uniform simulator for codesign and simulation of a microwave acoustic imaging system, bridging bioeffect study and hardware development seamlessly.

Birefringence and hidden photons

NASA Astrophysics Data System (ADS)

Arza, Ariel; Gamboa, J.

2018-05-01

We study a model where photons interact with hidden photons and millicharged particles through a kinetic mixing term. Particularly, we focus on vacuum birefringence effects and we find a bound for the millicharged parameter assuming that hidden photons are a piece of the local dark matter density.

Spectral density method to Anderson-Holstein model

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

Chebrolu, Narasimha Raju, E-mail: narasimharaju.phy@gmail.com; Chatterjee, Ashok

Two-parameter spectral density function of a magnetic impurity electron in a non-magnetic metal is calculated within the framework of the Anderson-Holstein model using the spectral density approximation method. The effect of electron-phonon interaction on the spectral function is investigated.

Monosodium L-glutamate and dietary fat exert opposite effects on the proximal and distal intestinal health in growing pigs.

PubMed

Feng, Zemeng; Li, Tiejun; Wu, Chunli; Tao, Lihua; Blachier, Francois; Yin, Yulong

2015-04-01

The Chinese population has undergone rapid transition to a high-fat diet. Furthermore, monosodium L-glutamate (MSG) is widely used as a flavour enhancer in China. Previous studies have reported that high-fat diet modifies intestinal metabolism and physiology. However, little information is available on the effects of oral MSG on intestine, and no study focus on the interaction of dietary fat and MSG for intestinal health. The aim of the present study was to evaluate the effects of MSG and dietary fat on intestinal health in growing pigs, and to try to identify possible interactions between these 2 nutrients for such effects. A total of 32 growing pigs were used and fed with 4 isonitrogenous and isocaloric diets (basal diet, high-fat diet, basal diet with 3% MSG and high fat diet with 3% MSG). Parameters related to reactive oxygen species metabolism, epithelial morphology, pro-inflammation factors and tight junction protein expression and several species of intestinal microbe were measured. Overall, dietary fat and MSG had detrimental effects on several of the physiological and inflammatory parameters measured in the proximal intestine, while exerting beneficial effects on the distal intestine in growing pigs, with generally antagonistic effects. These results may be of particular relevance for nutritional concerns in patients with intestinal diseases.

Adaptive Control Parameters for Dispersal of Multi-Agent Mobile Ad Hoc Network (MANET) Swarms

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

Kurt Derr; Milos Manic

A mobile ad hoc network is a collection of independent nodes that communicate wirelessly with one another. This paper investigates nodes that are swarm robots with communications and sensing capabilities. Each robot in the swarm may operate in a distributed and decentralized manner to achieve some goal. This paper presents a novel approach to dynamically adapting control parameters to achieve mesh configuration stability. The presented approach to robot interaction is based on spring force laws (attraction and repulsion laws) to create near-optimal mesh like configurations. In prior work, we presented the extended virtual spring mesh (EVSM) algorithm for the dispersionmore » of robot swarms. This paper extends the EVSM framework by providing the first known study on the effects of adaptive versus static control parameters on robot swarm stability. The EVSM algorithm provides the following novelties: 1) improved performance with adaptive control parameters and 2) accelerated convergence with high formation effectiveness. Simulation results show that 120 robots reach convergence using adaptive control parameters more than twice as fast as with static control parameters in a multiple obstacle environment.« less

Numerical analysis of MHD Casson Navier's slip nanofluid flow yield by rigid rotating disk

NASA Astrophysics Data System (ADS)

Rehman, Khalil Ur; Malik, M. Y.; Zahri, Mostafa; Tahir, M.

2018-03-01

An exertion is perform to report analysis on Casson liquid equipped above the rigid disk for z bar > 0 as a semi-infinite region. The flow of Casson liquid is achieve through rotation of rigid disk with constant angular frequency Ω bar . Magnetic interaction is consider by applying uniform magnetic field normal to the axial direction. The nanosized particles are suspended in the Casson liquid and rotation of disk is manifested with Navier's slip condition, heat generation/absorption and chemical reaction effects. The obtain flow narrating differential equations subject to MHD Casson nanofluid are transformed into ordinary differential system. For this purpose the Von Karman way of scheme is executed. To achieve accurate trends a computational algorithm is develop rather than to go on with usual build-in scheme. The effects logs of involved parameters, namely magnetic field parameter, Casson fluid parameter, slip parameter, thermophoresis and Brownian motion parameters on radial, tangential velocities, temperature, nanoparticles concentration, Nusselt and Sherwood numbers are provided by means of graphical and tabular structures. It is observed that both tangential and radial velocities are decreasing function of Casson fluid parameter.

Ultra-large nonlinear parameter in graphene-silicon waveguide structures.

PubMed

Donnelly, Christine; Tan, Dawn T H

2014-09-22

Mono-layer graphene integrated with optical waveguides is studied for the purpose of maximizing E-field interaction with the graphene layer, for the generation of ultra-large nonlinear parameters. It is shown that the common approach used to minimize the waveguide effective modal area does not accurately predict the configuration with the maximum nonlinear parameter. Both photonic and plasmonic waveguide configurations and graphene integration techniques realizable with today's fabrication tools are studied. Importantly, nonlinear parameters exceeding 10(4) W(-1)/m, two orders of magnitude larger than that in silicon on insulator waveguides without graphene, are obtained for the quasi-TE mode in silicon waveguides incorporating mono-layer graphene in the evanescent part of the optical field. Dielectric loaded surface plasmon polariton waveguides incorporating mono-layer graphene are observed to generate nonlinear parameters as large as 10(5) W(-1)/m, three orders of magnitude larger than that in silicon on insulator waveguides without graphene. The ultra-large nonlinear parameters make such waveguides promising platforms for nonlinear integrated optics at ultra-low powers, and for previously unobserved nonlinear optical effects to be studied in a waveguide platform.

Effect of breed and sperm concentration on the changes in structural, functional and motility parameters of ram-lamb spermatozoa during storage at 4 degrees C.

PubMed

Kasimanickam, Ramanathan; Kasimanickam, Vanmathy; Pelzer, Kevin D; Dascanio, John J

2007-09-01

The objectives of this study were (1) to determine the changes in structural, functional and motility parameters of ram-lamb semen stored at two different concentrations at 4 degrees C for 8 days in egg-yolk based extender and (2) to determine the effect of breed of ram-lambs on the changes in structural, functional and motility parameters of ram-lamb semen from different breeds stored at two different concentrations at 4 degrees C for 8 days in egg-yolk based extender. Two different concentrations suitable for laparoscopic and cervical insemination were employed in this experiment. A total of 14 ram-lambs (Polled Dorset-5, Suffolk-5, Katahdin-4) with satisfactory breeding potential were selected. Semen samples were collected by electro-ejaculation. Semen samples were extended to 50 and 200 million sperm per ml with a commercial egg yolk based extender (Triladyl, Minitube of America, Verona, WI, USA) at room temperature and were stored at 4 degrees C. The sperm DNA fragmentation index (DFI), percentages of high mitochondrial membrane potential (hMMP) and plasma membrane integrity (PMI) were assessed using flow cytometry as part of structural and functional parameters on Days 0, 1, 4, 6, and 8. A computer assisted sperm analyser (HTM-IVOS, Version 10.8, Hamilton Thorne Research, Beverly, MA, USA) was used to assess the sperm motility parameters on Days 0, 1, 4, 6, and 8. PROC MIXED procedure was used to determine the effect of days of storage, concentration and breed. The concentration and days of storage significantly affected the sperm structural, functional and motility parameters (P<0.0001). Significant concentration x days of storage interaction was found for all structural and functional parameters. There was a significant concentration x days of storage interaction for average path velocity, curvilinear velocity, straightness and linearity. Overall changes in the sperm structural, functional and sperm motility parameters over the storage period were less dramatic in the 200 x 10(6) ml(-1) concentration when compared to 50 x 10(6) ml(-1) concentration. The hMMP and total progressive motility were influenced by breed. In conclusion, the quality of structural, functional and motility parameters declined as days of storage were increased and the magnitude of changes in the parameters was less dramatic at the higher concentration.

The influence of bioavailable heavy metals and microbial parameters of soil on the metal accumulation in rice grain.

PubMed

Xiao, Ling; Guan, Dongsheng; Peart, M R; Chen, Yujuan; Li, Qiqi; Dai, Jun

2017-10-01

A field-based study was undertaken to analyze the effects of soil bioavailable heavy metals determined by a sequential extraction procedure, and soil microbial parameters on the heavy metal accumulation in rice grain. The results showed that Cd, Cr, Cu, Ni, Pb and Zn concentrations in rice grain decreases by 65.9%, 78.9%, 32.6%, 80.5%, 61.0% and 15.7%, respectively in the sites 3 (far-away), compared with those in sites 1 (close-to). Redundancy analysis (RDA) indicated that soil catalase activity, the MBC/MBN ratio, along with bioavailable Cd, Cr and Ni could explain 68.9% of the total eigenvalue, indicating that these parameters have a great impact on the heavy metal accumulation in rice grain. The soil bioavailable heavy metals have a dominant impact on their accumulation in rice grain, with a variance contribution of 60.1%, while the MBC/MBN has a regulatory effect, with a variance contribution of 4.1%. Stepwise regression analysis showed that the MBC/MBN, urease and catalase activities are the key microbial parameters that affect the heavy metal accumulation in rice by influencing the soil bioavailable heavy metals or the translocation of heavy metals in rice. RDA showed an interactive effect between Cu, Pb and Zn in rice grain and the soil bioavailable Cd, Cr and Ni. The heavy metals in rice grain, with the exception of Pb, could be predicted by their respective soil bioavailable heavy metals. The results suggested that Pb accumulation in rice grain was mainly influenced by the multi-metal interactive effects, and less affected by soil bioavailable Pb. Copyright © 2017 Elsevier Ltd. All rights reserved.

Deconvoluting the effects of buffer salt concentration in hydrophilic interaction chromatography on a zwitterionic stationary phase.

PubMed

West, Caroline; Auroux, Emeline

2016-08-26

Quantitative structure-retention relationships (QSRRs) furnish a detailed and reliable description of the role and extent of different molecular interactions that can be established between the analytes and the chromatographic system. Among QSRRs, the solvation parameter model using Abraham descriptors has gained acceptance as a general tool to explore the factors affecting retention in chromatographic systems. We have previously shown how a modified version of the solvation parameter model, with two extra terms to take account of interactions occurring with ionic and ionizable species (with positive and/or negative charges), could be applied to the characterization of hydrophilic interaction chromatographic (HILIC) systems. In the present study, we will show how this methodology can be used to evaluate the effects of increasing buffer salt concentration on retention and separation in a HILIC system. A commercial stationary phase possessing a sulfobetaine zwitterionic bonded ligand (Nucleodur HILIC) was used with a mobile phase composed of 80% acetonitrile and 20% pwwH4 ammonium acetate buffer, with aqueous buffer concentrations varying from 10 to 100mM, resulting in overall concentrations ranging from 2 to 20mM in the mobile phase. Retention factors were measured for a selection of 76 probe analytes. The chosen compounds are small molecules presenting a wide diversity of molecular structures and are relevant to biomedical and pharmaceutical applications. The QSRR models obtained allow for a rationalization of the interactions contributing to retention and separation in the HILIC system considered and shed some light on the effect of varying buffer salt concentration, namely the progressive transition from ion-exchange and electrostatic-repulsion mechanisms to hydrophilic partitioning. Copyright © 2016 Elsevier B.V. All rights reserved.

A predictive pharmacokinetic-pharmacodynamic model of tumor growth kinetics in xenograft mice after administration of anticancer agents given in combination.

PubMed

Terranova, Nadia; Germani, Massimiliano; Del Bene, Francesca; Magni, Paolo

2013-08-01

In clinical oncology, combination treatments are widely used and increasingly preferred over single drug administrations. A better characterization of the interaction between drug effects and the selection of synergistic combinations represent an open challenge in drug development process. To this aim, preclinical studies are routinely performed, even if they are only qualitatively analyzed due to the lack of generally applicable mathematical models. This paper presents a new pharmacokinetic-pharmacodynamic model that, starting from the well-known single agent Simeoni TGI model, is able to describe tumor growth in xenograft mice after the co-administration of two anticancer agents. Due to the drug action, tumor cells are divided in two groups: damaged and not damaged ones. The damaging rate has two terms proportional to drug concentrations (as in the single drug administration model) and one interaction term proportional to their product. Six of the eight pharmacodynamic parameters assume the same value as in the corresponding single drug models. Only one parameter summarizes the interaction, and it can be used to compute two important indexes that are a clear way to score the synergistic/antagonistic interaction among drug effects. The model was successfully applied to four new compounds co-administered with four drugs already available on the market for the treatment of three different tumor cell lines. It also provided reliable predictions of different combination regimens in which the same drugs were administered at different doses/schedules. A good and quantitative measurement of the intensity and nature of interaction between drug effects, as well as the capability to correctly predict new combination arms, suggest the use of this generally applicable model for supporting the experiment optimal design and the prioritization of different therapies.

Protein structure similarity from Principle Component Correlation analysis.

PubMed

Zhou, Xiaobo; Chou, James; Wong, Stephen T C

2006-01-25

Owing to rapid expansion of protein structure databases in recent years, methods of structure comparison are becoming increasingly effective and important in revealing novel information on functional properties of proteins and their roles in the grand scheme of evolutionary biology. Currently, the structural similarity between two proteins is measured by the root-mean-square-deviation (RMSD) in their best-superimposed atomic coordinates. RMSD is the golden rule of measuring structural similarity when the structures are nearly identical; it, however, fails to detect the higher order topological similarities in proteins evolved into different shapes. We propose new algorithms for extracting geometrical invariants of proteins that can be effectively used to identify homologous protein structures or topologies in order to quantify both close and remote structural similarities. We measure structural similarity between proteins by correlating the principle components of their secondary structure interaction matrix. In our approach, the Principle Component Correlation (PCC) analysis, a symmetric interaction matrix for a protein structure is constructed with relationship parameters between secondary elements that can take the form of distance, orientation, or other relevant structural invariants. When using a distance-based construction in the presence or absence of encoded N to C terminal sense, there are strong correlations between the principle components of interaction matrices of structurally or topologically similar proteins. The PCC method is extensively tested for protein structures that belong to the same topological class but are significantly different by RMSD measure. The PCC analysis can also differentiate proteins having similar shapes but different topological arrangements. Additionally, we demonstrate that when using two independently defined interaction matrices, comparison of their maximum eigenvalues can be highly effective in clustering structurally or topologically similar proteins. We believe that the PCC analysis of interaction matrix is highly flexible in adopting various structural parameters for protein structure comparison.

Modeling and optimization of joint quality for laser transmission joint of thermoplastic using an artificial neural network and a genetic algorithm

NASA Astrophysics Data System (ADS)

Wang, Xiao; Zhang, Cheng; Li, Pin; Wang, Kai; Hu, Yang; Zhang, Peng; Liu, Huixia

2012-11-01

A central composite rotatable experimental design(CCRD) is conducted to design experiments for laser transmission joining of thermoplastic-Polycarbonate (PC). The artificial neural network was used to establish the relationships between laser transmission joining process parameters (the laser power, velocity, clamp pressure, scanning number) and joint strength and joint seam width. The developed mathematical models are tested by analysis of variance (ANOVA) method to check their adequacy and the effects of process parameters on the responses and the interaction effects of key process parameters on the quality are analyzed and discussed. Finally, the desirability function coupled with genetic algorithm is used to carry out the optimization of the joint strength and joint width. The results show that the predicted results of the optimization are in good agreement with the experimental results, so this study provides an effective method to enhance the joint quality.

Vectorlike fermions and Higgs effective field theory revisited

DOE PAGES

Chen, Chien-Yi; Dawson, S.; Furlan, Elisabetta

2017-07-10

Heavy vectorlike quarks (VLQs) appear in many models of beyond the Standard Model physics. Direct experimental searches require these new quarks to be heavy, ≳ 800 – 1000 GeV . Here, we perform a global fit of the parameters of simple VLQ models in minimal representations of S U ( 2 ) L to precision data and Higgs rates. One interesting connection between anomalous Z bmore » $$\\bar{b}$$ interactions and Higgs physics in VLQ models is discussed. Finally, we present our analysis in an effective field theory (EFT) framework and show that the parameters of VLQ models are already highly constrained. Exact and approximate analytical formulas for the S and T parameters in the VLQ models we consider are available in the Supplemental Material as Mathematica files.« less

Which are the most important parameters for modelling carbon assimilation in boreal Norway spruce under elevated [CO(2)] and temperature conditions?

PubMed

Hall, Marianne; Medlyn, Belinda E; Abramowitz, Gab; Franklin, Oskar; Räntfors, Mats; Linder, Sune; Wallin, Göran

2013-11-01

Photosynthesis is highly responsive to environmental and physiological variables, including phenology, foliage nitrogen (N) content, atmospheric CO2 concentration ([CO2]), irradiation (Q), air temperature (T) and vapour pressure deficit (D). Each of these responses is likely to be modified by long-term changes in climatic conditions such as rising air temperature and [CO2]. When modelling photosynthesis under climatic changes, which parameters are then most important to calibrate for future conditions? To assess this, we used measurements of shoot carbon assimilation rates and microclimate conditions collected at Flakaliden, northern Sweden. Twelve 40-year-old Norway spruce trees were enclosed in whole-tree chambers and exposed to elevated [CO2] and elevated air temperature, separately and in combination. The treatments imposed were elevated temperature, +2.8 °C in July/August and +5.6 °C in December above ambient, and [CO2] (ambient CO2 ∼370 μ mol mol(-1), elevated CO2 ∼700 μ mol mol(-1)). The relative importance of parameterization of Q, T and D responses for effects on the photosynthetic rate, expressed on a projected needle area, and the annual shoot carbon uptake was quantified using an empirical shoot photosynthesis model, which was developed and fitted to the measurements. The functional form of the response curves was established using an artificial neural network. The [CO2] treatment increased annual shoot carbon (C) uptake by 50%. Most important was effects on the light response curve, with a 67% increase in light-saturated photosynthetic rate, and a 52% increase in the initial slope of the light response curve. An interactive effect of light saturated photosynthetic rate was found with foliage N status, but no interactive effect for high temperature and high CO2. The air temperature treatment increased the annual shoot C uptake by 44%. The most important parameter was the seasonality, with an elongation of the growing season by almost 4 weeks. The temperature response curve was almost flat over much of the temperature range. A shift in temperature optimum had thus an insignificant effect on modelled annual shoot C uptake. The combined temperature and [CO2] treatment resulted in a 74% increase in annual shoot C uptake compared with ambient conditions, with no clear interactive effects on parameter values.

Combined effects of warming and ocean acidification on coral reef Foraminifera Marginopora vertebralis and Heterostegina depressa

NASA Astrophysics Data System (ADS)

Schmidt, Christiane; Kucera, Michal; Uthicke, Sven

2014-09-01

Warming and changes in ocean carbonate chemistry alter marine coastal ecosystems at an accelerating pace. The interaction between these stressors has been the subject of recent studies on reef organisms such as corals, bryozoa, molluscs, and crustose coralline algae. Here we investigated the combined effects of elevated sea surface temperatures and pCO2 on two species of photosymbiont-bearing coral reef Foraminifera: Heterostegina depressa (hosting diatoms) and Marginopora vertebralis (hosting dinoflagellates). The effects of single and combined stressors were studied by monitoring survivorship, growth, and physiological parameters, such as respiration, photochemistry (pulse amplitude modulation fluorometry and oxygen production), and chl a content. Specimens were exposed in flow-through aquaria for up to seven weeks to combinations of two pCO2 (~790 and ~490 µatm) and two temperature (28 and 31 °C) regimes. Elevated temperature had negative effects on the physiology of both species. Elevated pCO2 had negative effects on growth and apparent photosynthetic rate in H.depressa but a positive effect on effective quantum yield. With increasing pCO2, chl a content decreased in H. depressa and increased in M. vertebralis. The strongest stress responses were observed when the two stressors acted in combination. An interaction term was statistically significant in half of the measured parameters. Further exploration revealed that 75 % of these cases showed a synergistic (= larger than additive) interaction between the two stressors. These results indicate that negative physiological effects on photosymbiont-bearing coral reef Foraminifera are likely to be stronger under simultaneous acidification and temperature rise than what would be expected from the effect of each of the stressors individually.

Evaluation of the simultaneous effects of processing parameters on the iron and zinc solubility of infant sorghum porridge by response surface methodology.

PubMed

Kayodé, A P Polycarpe; Nout, Martinus J R; Bakker, Evert J; Van Boekel, Martinus A J S

2006-06-14

The purpose of this study was to improve the micronutrient quality of indigenous African infant flour using traditional techniques available in the region. Response surface methodology was used to study the effect of duration of soaking, germination, and fermentation on phytate and phenolic compounds (PC), pH, viscosity, and the in vitro solubility (IVS) of iron and zinc in infant sorghum flour. The phytate and the PC concentrations of the flour were significantly modified as a result of the duration of germination and fermentation and their mutual interaction. These modifications were accompanied by a significant increase in % IVS Zn after 24 h of sprouting. Except for the interaction of soaking and fermentation, none of the processing parameters exerted a significant effect on the % IVS Fe. The viscosity of the porridge prepared with the flour decreased significantly with the duration of germination, making it possible to produce a porridge with high energy and nutrient density. The use of germination in combination with fermentation is recommended in the processing of cereals for infant feeding in developing countries.

Non-standard neutrino interactions at DUNE

DOE PAGES

de Gouvea, Andre; Kelly, Kevin J.

2016-03-15

Here, we explore the effects of non-standard neutrino interactions (NSI) and how they modify neutrino propagation in the Deep Underground Neutrino Experiment (DUNE). We find that NSI can significantly modify the data to be collected by the DUNE experiment as long as the new physics parameters are large enough. For example, if the DUNE data are consistent with the standard three-massive-neutrinos paradigm, order 0.1 (in units of the Fermi constant) NSI effects will be ruled out. On the other hand, if large NSI effects are present, DUNE will be able to not only rule out the standard paradigm but alsomore » measure the new physics parameters, sometimes with good precision. We find that, in some cases, DUNE is sensitive to new sources of CP-invariance violation. We also explored whether DUNE data can be used to distinguish different types of new physics beyond nonzero neutrino masses. In more detail, we asked whether NSI can be mimicked, as far as the DUNE setup is concerned, by the hypothesis that there is a new light neutrino state.« less

Using Central Composite Experimental Design to Optimize the Degradation of Tylosin from Aqueous Solution by Photo-Fenton Reaction

PubMed Central

Sarrai, Abd Elaziz; Hanini, Salah; Merzouk, Nachida Kasbadji; Tassalit, Djilali; Szabó, Tibor; Hernádi, Klára; Nagy, László

2016-01-01

The feasibility of the application of the Photo-Fenton process in the treatment of aqueous solution contaminated by Tylosin antibiotic was evaluated. The Response Surface Methodology (RSM) based on Central Composite Design (CCD) was used to evaluate and optimize the effect of hydrogen peroxide, ferrous ion concentration and initial pH as independent variables on the total organic carbon (TOC) removal as the response function. The interaction effects and optimal parameters were obtained by using MODDE software. The significance of the independent variables and their interactions was tested by means of analysis of variance (ANOVA) with a 95% confidence level. Results show that the concentration of the ferrous ion and pH were the main parameters affecting TOC removal, while peroxide concentration had a slight effect on the reaction. The optimum operating conditions to achieve maximum TOC removal were determined. The model prediction for maximum TOC removal was compared to the experimental result at optimal operating conditions. A good agreement between the model prediction and experimental results confirms the soundness of the developed model. PMID:28773551

Self-association of caffeine in aqueous solution. Study of dilute solutions by normal and second derivative UV absorption spectroscopy.

NASA Astrophysics Data System (ADS)

Iza, N.; Gil, M.; Montero, J. L.; Morcillo, J.

1988-05-01

The concentration dependence of the spectral parameters of caffeine bands at ˜205 and 273 nm has been studied in aqueous solution by normal and second derivative spectroscopy. The concentration range was 5 x 10 -6 - 5 x 10 -3 M and thirty-five different concentrations were used. Discontinuities in parameter variation of these two bands at ˜7.5 x 10 -5, ˜2 x 10 -4, and ˜1 x 10 -3M were observed as concentration was increased. These "limiting" concentrations define three quite differenciated hyper- or hipochromic effects: the first one can be explained as caffeine-water molecule interaction and the second and third as dimer and (dimer + polymer) stacking, respectively. Apparent self-association constants using the isodesmic model have been obtained K= 160 M -1 (for the second hypochromic effect) and K= 13.6 M -1 (for the third hypochromic effect), for the 273 nm band. It is noteworthy that the three "limiting" concentrations coincide with changes in DNA-caffeine interaction modes (H. Lang , 1976) and biological activity (I.B. Syed , 1976).

A Parametric Geometry Computational Fluid Dynamics (CFD) Study Utilizing Design of Experiments (DOE)

NASA Technical Reports Server (NTRS)

Rhew, Ray D.; Parker, Peter A.

2007-01-01

Design of Experiments (DOE) techniques were applied to the Launch Abort System (LAS) of the NASA Crew Exploration Vehicle (CEV) parametric geometry Computational Fluid Dynamics (CFD) study to efficiently identify and rank the primary contributors to the integrated drag over the vehicles ascent trajectory. Typical approaches to these types of activities involve developing all possible combinations of geometries changing one variable at a time, analyzing them with CFD, and predicting the main effects on an aerodynamic parameter, which in this application is integrated drag. The original plan for the LAS study team was to generate and analyze more than1000 geometry configurations to study 7 geometric parameters. By utilizing DOE techniques the number of geometries was strategically reduced to 84. In addition, critical information on interaction effects among the geometric factors were identified that would not have been possible with the traditional technique. Therefore, the study was performed in less time and provided more information on the geometric main effects and interactions impacting drag generated by the LAS. This paper discusses the methods utilized to develop the experimental design, execution, and data analysis.

Investigations of interatomic interaction in InAs-InAs1-xSbx heterostructures on a base of x-ray diffractometry

NASA Astrophysics Data System (ADS)

Babjuck, T. I.; Buntar, A. G.; Shevtchuk, L. S.

2001-06-01

Hetero-transitions on a base of InAs and AnSb compounds permitted to obtain cheap light diodes and detectors with the atmosphere maximal transparency region sensibility. There is assumed simultaneously, that the phon radiation in InAs-InAs1-xSbx is not large, which positively effects on receiver parameters. Changing the composition of InAs-InAs1- xSbx solution, one may obtain the structure with the width of forbidden zone of the want of 0.35 to 0,1 eV. There is developed the heterostructures crystalline lattice parameters determining method (for substrate and film) with the DRON-3M x-ray diffractometer. There was found the nonlinear dependence of the heterostructures lattice parameter on the composition. Investigations of interatomic interaction in dependence on composition and also on the forbidden zone width Eg(x) have show, that solid solutions InAs-InAs1- xSbx may be used for the obtaining of infra-red receiver.

Dynamic behavior of the interaction between epidemics and cascades on heterogeneous networks

NASA Astrophysics Data System (ADS)

Jiang, Lurong; Jin, Xinyu; Xia, Yongxiang; Ouyang, Bo; Wu, Duanpo

2014-12-01

Epidemic spreading and cascading failure are two important dynamical processes on complex networks. They have been investigated separately for a long time. But in the real world, these two dynamics sometimes may interact with each other. In this paper, we explore a model combined with the SIR epidemic spreading model and a local load sharing cascading failure model. There exists a critical value of the tolerance parameter for which the epidemic with high infection probability can spread out and infect a fraction of the network in this model. When the tolerance parameter is smaller than the critical value, the cascading failure cuts off the abundance of paths and blocks the spreading of the epidemic locally. While the tolerance parameter is larger than the critical value, the epidemic spreads out and infects a fraction of the network. A method for estimating the critical value is proposed. In simulations, we verify the effectiveness of this method in the uncorrelated configuration model (UCM) scale-free networks.

Tunable non-interacting free-energy functionals: development and applications to low-density aluminum

NASA Astrophysics Data System (ADS)

Trickey, Samuel; Karasiev, Valentin

We introduce the concept of tunable orbital-free non-interacting free-energy density functionals and present a generalized gradient approximation (GGA) with a subset of parameters defined from constraints and a few free parameters. Those free parameters are tuned to reproduce reference Kohn-Sham (KS) static-lattice pressures for Al at T=8 kK for bulk densities between 0.6 and 2 g/cm3. The tuned functional then is used in OF molecular dynamics (MD) simulations for Al with densities between 0.1 and 2 g/cm3 and T between 6 and 50 kK to calculate the equation of state and generate configurations for electrical conductivity calculations. The tunable functional produces accurate results. Computationally it is very effective especially at elevated temperature. Kohn-Shiam calculations for such low densities are affordable only up to T=10 kK, while other OF approximations, including two-point functionals, fail badly in that regime. Work supported by US DoE Grant DE-SC0002139.

FIBER AND INTEGRATED OPTICS: Magnetooptic interaction in fiber waveguides

NASA Astrophysics Data System (ADS)

Antonov, S. N.; Bulyuk, A. N.; Gulyaev, Yurii V.

1989-11-01

Theoretical and experimental studies were made of the effects of a distributed magnetooptic interaction in fiber waveguides. Analytic solutions were obtained for relating light modulation at the exit of a waveguide to the parameters of its winding in the form of a coil and to an external magnetic field under conditions ensuring the exact spatial phase matching. It was confirmed experimentally that the interaction length of the order of several tens of meters was quite acceptable and could ensure a sensitivity of at least 10 - 4 Oe in the case of a quartz fiber waveguide.

Chiral helimagnetic state in a Kondo lattice model with the Dzyaloshinskii-Moriya interaction

NASA Astrophysics Data System (ADS)

Okumura, Shun; Kato, Yasuyuki; Motome, Yukitoshi

2018-05-01

Monoaxial chiral magnets can form a noncollinear twisted spin structure called the chiral helimagnetic state. We study magnetic properties of such a chiral helimagnetic state, with emphasis on the effect of itinerant electrons. Modeling a monoaxial chiral helimagnet by a one-dimensional Kondo lattice model with the Dzyaloshinskii-Moriya interaction, we perform a variational calculation to elucidate the stable spin configuration in the ground state. We obtain a chiral helimagnetic state as a candidate for the ground state, whose helical pitch is modulated by the model parameters: the Kondo coupling, the Dzyaloshinski-Moriya interaction, and electron filling.

Spatial resolution study and power calibration of the high-k scattering system on NSTX.

PubMed

Lee, W; Park, H K; Cho, M H; Namkung, W; Smith, D R; Domier, C W; Luhmann, N C

2008-10-01

NSTX high-k scattering system has been extensively utilized in studying the microturbulence and coherent waves. An absolute calibration of the scattering system was performed employing a new millimeter-wave source and calibrated attenuators. One of the key parameters essential for the calibration of the multichannel scattering system is the interaction length. This interaction length is significantly different from the conventional one due to the curvature and magnetic shear effect.

Metabolic and endocrine profiles and reproductive parameters in dairy cows under grazing conditions: effect of polymorphisms in somatotropic axis genes

PubMed Central

2011-01-01

Background The present study hypothesized that GH-AluI and IGF-I-SnabI polymorphisms do change the metabolic/endocrine profiles in Holstein cows during the transition period, which in turn are associated with productive and reproductive parameters. Methods Holstein cows (Farm 1, primiparous cows, n = 110, and Farm 2, multiparous cows, n = 76) under grazing conditions were selected and GH and IGF-I genotypes were determined. Blood samples for metabolic/endocrine determinations were taken during the transition period and early lactation in both farms. Data was analyzed by farm using a repeated measures analyses including GH and IGF-I genotypes, days and interactions as fixed effects, sire and cow as random effects and calving date as covariate. Results and Discussion Frequencies of GH and IGF-I alleles were L:0.84, V:0.16 and A:0.60, B:0.40, respectively. The GH genotype was not associated with productive or reproductive variables, but interaction with days affected FCM yield in multiparous (farm 2) cows (LL yielded more than LV cows) in early lactation. The GH genotype affected NEFA and IGF-I concentrations in farm 1 (LV had higher NEFA and lower IGF-I than LL cows) suggesting a better energy status of LL cows. There was no effect of IGF-I genotype on productive variables, but a trend was found for FCM in farm 2 (AB cows yielded more than AA cows). IGF-I genotype affected calving first service interval in farm 1, and the interaction with days tended to affect FCM yield (AB cows had a shorter interval and yielded more FCM than BB cows). IGF-I genotype affected BHB, NEFA, and insulin concentrations in farm 1: primiparous BB cows had lower NEFA and BHB and higher insulin concentrations. In farm 2, there was no effect of IGF-I genotype, but there was an interaction with days on IGF-I concentration, suggesting a greater uncoupling somatropic axis in AB and BB than AA cows, being in accordance with greater FCM yield in AB cows. Conclusion The GH and IGF-I genotypes had no substantial effect on productive parameters, although IGF-I genotype affected calving-first service interval in primiparous cows. Besides, these genotypes may modify the endocrine/metabolic profiles of the transition dairy cow under grazing conditions. PMID:21635772

Involvement of leucocyte/endothelial cell interactions in anorexia nervosa.

PubMed

Víctor, Víctor M; Rovira-Llopis, Susana; Saiz-Alarcón, Vanessa; Sangüesa, Maria C; Rojo-Bofill, Luis; Bañuls, Celia; de Pablo, Carmen; Álvarez, Ángeles; Rojo, Luis; Rocha, Milagros; Hernández-Mijares, Antonio

2015-07-01

Anorexia nervosa is a common psychiatric disorder in adolescence and is related to cardiovascular complications. Our aim was to study the effect of anorexia nervosa on metabolic parameters, leucocyte-endothelium interactions, adhesion molecules and proinflammatory cytokines. This multicentre, cross-sectional, case-control study employed a population of 24 anorexic female patients and 36 controls. We evaluated anthropometric and metabolic parameters, interactions between leucocytes polymorphonuclear neutrophils (PMN) and human umbilical vein endothelial cells (HUVEC), proinflammatory cytokines such as tumour necrosis factor alpha (TNF-α) and interleukin-6 (IL-6) and soluble cellular adhesion molecules (CAMs) including E-selectin, vascular cell adhesion molecule-1 (VCAM-1) and intercellular adhesion molecule-1 (ICAM-1). Anorexia nervosa was related to a decrease in weight, body mass index, waist circumference, systolic blood pressure, glucose, insulin and HOMA-IR, and an increase in HDL cholesterol. These effects disappeared after adjusting for BMI. Anorexia nervosa induced a decrease in PMN rolling velocity and an increase in PMN rolling flux and PMN adhesion. Increases in IL-6 and TNF-α and adhesion molecule VCAM-1 were also observed. This study supports the hypothesis of an association between anorexia nervosa, inflammation and the induction of leucocyte-endothelium interactions. These findings may explain, in part at least, the increased risk of vascular disease among patients with anorexia nervosa. © 2015 Stichting European Society for Clinical Investigation Journal Foundation.

Meteoroid-bumper interactions program

NASA Technical Reports Server (NTRS)

Gough, P. S.

1970-01-01

An investigation has been made of the interaction of meteoroids with shielded structures. The interaction has been simulated by the impact of Lexan cylinders onto lead shields in order to provide the vaporous debris believed to be created by meteoroid impact on a space vehicle. Shock compression data for Lexan was determined. This, in combination with the known shock compression data for the lead shield, has permitted the definition of the initial high pressure states in the impacted projectile and shield. The debris from such impact events has been permitted to interact with aluminum main walls. The walls were chosen to be sufficiently large to be effectively infinite in diameter compared to the loaded area. The thickness of the wall and the spacing from the shield were varied to determine the effect of these parameters. In addition, the effect of having a body of water behind the wall has been assessed. Measurements of the stagnation pressure in the debris cloud have been made and correlated with the response of the main wall.

Super-Kamiokande Solar Neutrino Results and NSI Analysis

NASA Astrophysics Data System (ADS)

Weatherly, Pierce; Super-Kamiokande Collaboration

2017-09-01

Super-Kamiokande (SK) detects the Cerenkov light from elastic scattering of solar 8B neutrinos with electrons in its ultra-pure water. The directionality, energy, and timing of the recoil electrons determines the interaction rate, the flight path, as well as the energy dependence of the 8B neutrinos’ electron-flavor survival probability P ee . While the P ee below 1 MeV is equivalent to averaged vacuum neutrino flavor oscillations, the P ee above 7 MeV is suppressed by the Mikheyev-Smirnov-Wolfenstein (MSW) resonance resulting from the interaction of the solar neutrinos with solar matter. In the same way, Earth matter effects influence Pee, leading to an apparent Day/Night effect. Non-standard interactions (NSI) extend the MSW model to include interactions between the quarks in matter and neutrinos, thereby modifying P ee . We present the signatures of matter effects on solar neutrinos in Super-Kamiokande and present limits on NSI parameters, in particular couplings to the down quark.

Lack of Effect of Vortioxetine on the Pharmacokinetics and Pharmacodynamics of Ethanol, Diazepam, and Lithium.

PubMed

Chen, Grace; Nomikos, George G; Affinito, John; Zhao, Zhen

2016-09-01

Because the multimodal antidepressant vortioxetine is likely to be coadministered with other central nervous system (CNS)-active drugs, potential drug-drug interactions warrant examination. These studies evaluated whether there are pharmacokinetic and/or pharmacodynamic interactions between vortioxetine and ethanol, diazepam, or lithium. This series of phase I studies included healthy men and women (only men in the lithium study) aged 18-45 years. The ethanol study was a randomized, double-blind, two-parallel group, four-period crossover study in which subjects received a single dose of vortioxetine (20 or 40 mg) or placebo with or without ethanol, and the diazepam study was a randomized, double-blind, placebo-controlled, two-sequence, two-period crossover study in which subjects received a single dose of diazepam following multiple doses of vortioxetine 10 mg/day or placebo. These two studies evaluated the effect of coadministration on standardized psychomotor parameters and on selected pharmacokinetic parameters of each drug. The lithium study was a single-blind, single-sequence study evaluating the effect of multiple doses of vortioxetine 10 mg/day on the steady-state pharmacokinetics of lithium. Concomitant administration of vortioxetine and single doses of either ethanol or diazepam had no significant effect on the psychomotor performance of subjects compared with administration of ethanol or diazepam alone. Vortioxetine had no significant effect on the pharmacokinetics of ethanol, diazepam, or lithium, and ethanol had no significant effect on the pharmacokinetics of vortioxetine. Concomitant administration of these agents with vortioxetine was generally well tolerated, with no clinically relevant drug-drug pharmacokinetic or pharmacodynamic interactions identified.

David Shoenberg and the beauty of quantum oscillations

NASA Astrophysics Data System (ADS)

Pudalov, V. M.

2011-01-01

The quantum oscillation effect was discovered in Leiden in 1930, by W. J. de Haas and P. M. van Alphen when measuring magnetization, and by L. W. Shubnikov and de Haas when measuring magnetoresistance. Studying single crystals of bismuth, they observed oscillatory variations in the magnetization and magnetoresistance with magnetic field. Shoenberg, whose first research in Cambridge had been on bismuth, found that much stronger oscillations are observed when a bismuth sample is cooled to liquid helium temperature rather than liquid hydrogen, which had been used by de Haas. In 1938 Shoenberg went from Cambridge to Moscow to study these oscillations at Kapitza's Institute where liquid helium was available at that time. In 1947, J. Marcus observed similar oscillations in zinc and that persuaded Schoenberg to return to this research. After that, the dHvA effect became one of his main research topics. In particular, he developed techniques for quantitative measurement of this effect in many metals. A theoretical explanation of quantum oscillations was given by L. Onsager in 1952, and an analytical quantitative theory by I. M. Lifshitz and A. M. Kosevich in 1955. These theoretical advances seemed to provide a comprehensive description of the effect. Since then, quantum oscillations have been widely used as a tool for measuring Fermi surface extremal cross-sections and all-angle electron scattering times. In his pioneering experiments of the 1960's, Shoenberg revealed the richness and deep essence of the quantum oscillation effect and showed how the beauty of the effect is disclosed under nonlinear conditions imposed by interactions in the system under study. It was quite surprising that "magnetic interaction" conditions could cause the apparently weak quantum oscillation effect to have such strong consequences as breaking the sample into magnetic (now called "Shoenberg") domains and forming an inhomogeneous magnetic state. With his contributions to the field of quantum oscillations and superconductivity, Shoenberg is undoubtedly one of the 20th century's foremost scientists. We describe experiments to determine the quantitative parameters of electron-electron interactions in line with Shoenberg's idea that quasiparticle interaction parameters can be found by analyzing quantum oscillations as modified by interactions.

The physiology of stress and effects on immune health in ruminants

USDA-ARS?s Scientific Manuscript database

As researchers have continued to explore the complex interactions among stress and production parameters such as growth, feed efficiency, and health, multidisciplinary efforts have emerged leading to a greater understanding of homeostatic regulation. The immune system can be regulated by several dif...

Determination of rheological parameters of pile foundations for bridges for earthquake analysis

DOT National Transportation Integrated Search

1997-07-01

In the seismic design criteria for highway bridges, there is a significant lack of guidance on ways to incorporate the effect of soil-structure interaction in determining seismic response. For this study, a simple analytical model for pile and pile g...

Systematic study of rapidity dispersion parameter in high energy nucleus-nucleus interactions

NASA Astrophysics Data System (ADS)

Bhattacharyya, Swarnapratim; Haiduc, Maria; Neagu, Alina Tania; Firu, Elena

2014-03-01

A systematic study of rapidity dispersion parameter as a quantitative measure of clustering of particles has been carried out in the interactions of 16O, 28Si and 32S projectiles at 4.5 A GeV/c with heavy (AgBr) and light (CNO) groups of targets present in the nuclear emulsion. For all the interactions, the total ensemble of events has been divided into four overlapping multiplicity classes depending on the number of shower particles. For all the interactions and for each multiplicity class, the rapidity dispersion parameter values indicate the occurrence of clusterization during the multiparticle production at Dubna energy. The measured rapidity dispersion parameter values are found to decrease with the increase of average multiplicity for all the interactions. The dependence of rapidity dispersion parameter on the average multiplicity can be successfully described by a relation D(η) = a + b + c2. The experimental results have been compared with the results obtained from the analysis of Monte Carlo simulated (MC-RAND) events. MC-RAND events show weaker clusterization among the pions in comparison to the experimental data.

Role of hybridization in the superconducting properties of an extended d p Hubbard model: a detailed numerical study

NASA Astrophysics Data System (ADS)

Calegari, E. J.; Magalhães, S. G.; Gomes, A. A.

2005-04-01

The Roth's two-pole approximation has been used by the present authors to study the effects of the hybridization in the superconducting properties of a strongly correlated electron system. The model used is the extended Hubbard model which includes the d-p hybridization, the p-band and a narrow d-band. The present work is an extension of our previous work (J. Mod. Phys. B 18(2) (2004) 241). Nevertheless, some important correlation functions necessary to estimate the Roth's band shift, are included together with the temperature T and the Coulomb interaction U to describe the superconductivity. The superconducting order parameter of a cuprate system, is obtained following Beenen and Edwards formalism. Here, we investigate in detail the change of the order parameter associated to temperature, Coulomb interaction and Roth's band shift effects on superconductivity. The phase diagram with Tc versus the total occupation number nT, shows the difference respect to the previous work.

Unravelling the tunable exchange bias-like effect in magnetostatically-coupled two dimensional hybrid (hard/soft) composites

NASA Astrophysics Data System (ADS)

Hierro-Rodriguez, A.; Teixeira, J. M.; Rodriguez-Rodriguez, G.; Rubio, H.; Vélez, M.; Álvarez-Prado, L. M.; Martín, J. I.; Alameda, J. M.

2015-06-01

Hybrid 2D hard-soft composites have been fabricated by combining soft (Co73Si27) and hard (NdCo5) magnetic materials with in-plane and out-of-plane magnetic anisotropies, respectively. They have been microstructured in a square lattice of CoSi anti-dots with NdCo dots within the holes. The magnetic properties of the dots allow us to introduce a magnetostatic stray field that can be controlled in direction and sense by their last saturating magnetic field. The magnetostatic interactions between dot and anti-dot layers induce a completely tunable exchange bias-like shift in the system’s hysteresis loops. Two different regimes for this shift are present depending on the lattice parameter of the microstructures. For large parameters, dipolar magnetostatic decay is observed, while for the smaller one, the interaction between the adjacent anti-dot’s characteristic closure domain structures enhances the exchange bias-like effect as clarified by micromagnetic simulations.

pynoddy 1.0: an experimental platform for automated 3-D kinematic and potential field modelling

NASA Astrophysics Data System (ADS)

Florian Wellmann, J.; Thiele, Sam T.; Lindsay, Mark D.; Jessell, Mark W.

2016-03-01

We present a novel methodology for performing experiments with subsurface structural models using a set of flexible and extensible Python modules. We utilize the ability of kinematic modelling techniques to describe major deformational, tectonic, and magmatic events at low computational cost to develop experiments testing the interactions between multiple kinematic events, effect of uncertainty regarding event timing, and kinematic properties. These tests are simple to implement and perform, as they are automated within the Python scripting language, allowing the encapsulation of entire kinematic experiments within high-level class definitions and fully reproducible results. In addition, we provide a link to geophysical potential-field simulations to evaluate the effect of parameter uncertainties on maps of gravity and magnetics. We provide relevant fundamental information on kinematic modelling and our implementation, and showcase the application of our novel methods to investigate the interaction of multiple tectonic events on a pre-defined stratigraphy, the effect of changing kinematic parameters on simulated geophysical potential fields, and the distribution of uncertain areas in a full 3-D kinematic model, based on estimated uncertainties in kinematic input parameters. Additional possibilities for linking kinematic modelling to subsequent process simulations are discussed, as well as additional aspects of future research. Our modules are freely available on github, including documentation and tutorial examples, and we encourage the contribution to this project.

pynoddy 1.0: an experimental platform for automated 3-D kinematic and potential field modelling

NASA Astrophysics Data System (ADS)

Wellmann, J. F.; Thiele, S. T.; Lindsay, M. D.; Jessell, M. W.

2015-11-01

We present a novel methodology for performing experiments with subsurface structural models using a set of flexible and extensible Python modules. We utilise the ability of kinematic modelling techniques to describe major deformational, tectonic, and magmatic events at low computational cost to develop experiments testing the interactions between multiple kinematic events, effect of uncertainty regarding event timing, and kinematic properties. These tests are simple to implement and perform, as they are automated within the Python scripting language, allowing the encapsulation of entire kinematic experiments within high-level class definitions and fully reproducible results. In addition, we provide a~link to geophysical potential-field simulations to evaluate the effect of parameter uncertainties on maps of gravity and magnetics. We provide relevant fundamental information on kinematic modelling and our implementation, and showcase the application of our novel methods to investigate the interaction of multiple tectonic events on a pre-defined stratigraphy, the effect of changing kinematic parameters on simulated geophysical potential-fields, and the distribution of uncertain areas in a full 3-D kinematic model, based on estimated uncertainties in kinematic input parameters. Additional possibilities for linking kinematic modelling to subsequent process simulations are discussed, as well as additional aspects of future research. Our modules are freely available on github, including documentation and tutorial examples, and we encourage the contribution to this project.

Oscillations and chaos in neural networks: an exactly solvable model.

PubMed Central

Wang, L P; Pichler, E E; Ross, J

1990-01-01

We consider a randomly diluted higher-order network with noise, consisting of McCulloch-Pitts neurons that interact by Hebbian-type connections. For this model, exact dynamical equations are derived and solved for both parallel and random sequential updating algorithms. For parallel dynamics, we find a rich spectrum of different behaviors including static retrieving and oscillatory and chaotic phenomena in different parts of the parameter space. The bifurcation parameters include first- and second-order neuronal interaction coefficients and a rescaled noise level, which represents the combined effects of the random synaptic dilution, interference between stored patterns, and additional background noise. We show that a marked difference in terms of the occurrence of oscillations or chaos exists between neural networks with parallel and random sequential dynamics. Images PMID:2251287

Quantum Otto heat engine with three-qubit XXZ model as working substance

NASA Astrophysics Data System (ADS)

Huang, X. L.; Sun, Qi; Guo, D. Y.; Yu, Qian

2018-02-01

A quantum Otto heat engine is established with a three-qubit Heisenberg XXZ model with Dzyaloshinskii-Moriya (DM) interaction under a homogeneous magnetic field as the working substance. The quantum Otto engine is composed of two quantum isochoric processes and two quantum adiabatic processes. Here we have restricted Bc /Bh =Jc /Jh = r in the two adiabatic processes, where r is the adiabatic compression ratio. The work output and efficiency are calculated for our cycle. The possible adiabatic compression ratios and the ratios of work output between our working substance and a single spin under the same external conditions in the Otto cycle are analyzed with different DM interaction parameters and anisotropic parameters. The effects of pairwise entanglements on the heat engine efficiency are discussed.

Regularities in Low-Temperature Phosphatization of Silicates

NASA Astrophysics Data System (ADS)

Savenko, A. V.

2018-01-01

The regularities in low-temperature phosphatization of silicates are defined from long-term experiments on the interaction between different silicate minerals and phosphate-bearing solutions in a wide range of medium acidity. It is shown that the parameters of the reaction of phosphatization of hornblende, orthoclase, and labradorite have the same values as for clayey minerals (kaolinite and montmorillonite). This effect may appear, if phosphotization proceeds, not after silicate minerals with a different structure and composition, but after a secondary silicate phase formed upon interaction between silicates and water and stable in a certain pH range. Variation in the parameters of the reaction of phosphatization at pH ≈ 1.8 is due to the stability of the silicate phase different from that at higher pH values.

Effects of medium on nuclear properties in multifragmentation

NASA Astrophysics Data System (ADS)

De, J. N.; Samaddar, S. K.; Viñas, X.; Centelles, M.; Mishustin, I. N.; Greiner, W.

2012-08-01

In multifragmentation of hot nuclear matter, properties of fragments embedded in a soup of nucleonic gas and other fragments should be modified as compared with isolated nuclei. Such modifications are studied within a simple model where only nucleons and one kind of heavy nuclei are considered. The interaction between different species is described with a momentum-dependent two-body potential whose parameters are fitted to reproduce properties of cold isolated nuclei. The internal energy of heavy fragments is parametrized according to a liquid-drop model with density- and temperature-dependent parameters. Calculations are carried out for several subnuclear densities and moderate temperatures, for isospin-symmetric and asymmetric systems. We find that the fragments get stretched due to interactions with the medium and their binding energies decrease with increasing temperature and density of nuclear matter.

Theoretical investigation of excitonic magnetism in LaSrCoO4

NASA Astrophysics Data System (ADS)

Fernández Afonso, J.; Sotnikov, A.; Kuneš, J.

2018-04-01

We use the LDA+U approach to search for possible ordered ground states of LaSrCoO4. We find a staggered arrangement of magnetic multipoles to be stable over a broad range of Co 3d interaction parameters. This ordered state can be described as a spin-density-wave-type condensate of dxy \\otimes dx^2-y^2 excitons carrying spin S  =  1. Further, we construct an effective strong-coupling model, calculate the exciton dispersion and investigate closing of the exciton gap, which marks the exciton condensation instability. Comparing the layered LaSrCoO4 with its pseudo cubic analog LaCoO3, we find that for the same interaction parameters the excitonic gap is smaller (possibly vanishing) in the layered cobaltite.

Alternative method for evaluating the pair energy of nucleons in nuclei

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

Nurmukhamedov, A. M., E-mail: fattah52@mail.ru

2015-12-15

An alternative method for determining the odd–even effect parameter related to special features of the Casimir operator in Wigner’s mass formula for nuclei is proposed. A procedure for calculating this parameter is presented. The proposed method relies on a geometric interpretation of the Casimir operator, experimental data concerning the contribution of spin–orbit interaction to the nuclear mass for even–even and odd–odd nuclei, and systematics of energy gaps in the spectra of excited states of even–even nuclei.

Numerical and Analytical Study of Nonlinear Effects of Transonic Flow Past a Wing Airfoil in Oscillation of its Surface Element

NASA Astrophysics Data System (ADS)

Aul'chenko, S. M.; Zamuraev, V. P.; Kalinina, A. P.

2014-05-01

The present work is devoted to a criterial analysis and mathematical modeling of the influence of forced oscillations of surface elements of a wing airfoil on the shock-wave structure of transonic flow past it. Parameters that govern the regimes of interaction of the oscillatory motion of airfoil sections with the breakdown compression shock have been established. The qualitative and quantitative influence of these parameters on the wave resistance of the airfoil has been investigated.

Optimal convergence in naming game with geography-based negotiation on small-world networks

NASA Astrophysics Data System (ADS)

Liu, Run-Ran; Wang, Wen-Xu; Lai, Ying-Cheng; Chen, Guanrong; Wang, Bing-Hong

2011-01-01

We propose a negotiation strategy to address the effect of geography on the dynamics of naming games over small-world networks. Communication and negotiation frequencies between two agents are determined by their geographical distance in terms of a parameter characterizing the correlation between interaction strength and the distance. A finding is that there exists an optimal parameter value leading to fastest convergence to global consensus on naming. Numerical computations and a theoretical analysis are provided to substantiate our findings.

The Effects of Hearing Aid Compression Parameters on the Short-Term Dynamic Range of Continuous Speech

ERIC Educational Resources Information Center

Henning, Rebecca L. Warner; Bentler, Ruth A.

2008-01-01

Purpose: The purpose of this study was to evaluate and quantitatively model the independent and interactive effects of compression ratio, number of compression channels, and release time on the dynamic range of continuous speech. Method: A CD of the Rainbow Passage (J. E. Bernthal & N. W. Bankson, 1993) was used. The hearing aid was a…

Maternal effects of the English grain aphids feeding on the wheat varieties with different resistance traits.

PubMed

Hu, Xiang-Shun; Zhang, Zhan-Feng; Zhu, Tong-Yi; Song, Yue; Wu, Li-Juan; Liu, Xiao-Feng; Zhao, Hui-Yan; Liu, Tong-Xian

2018-05-09

The maternal effects of the English grain aphid, Sitobion avenae on offspring phenotypes and performance on wheat varieties with different resistance traits were examined. We found that both conditioning wheat varieties(the host plant for over 3 months) and transition wheat varieties affected the biological parameters of aphid offspring after they were transferred between wheat varieties with different resistance traits. The conditioning varieties affected weight gain, development time (DT), and the intrinsic rate of natural increase (r m ), whereas transition varieties affected the fecundity, r m , net reproductive rate, and fitness index. The conditioning and transition wheat varieties had significant interaction effects on the aphid offspring's DT, mean relative growth rate, and fecundity. Our results showed that there was obvious maternal effects on offspring when S. avenae transferred bwteen wheat varieties with different resistance level, and the resistance traits of wheat varieties could induce an interaction between the conditioning and transition wheat varieties to influence the growth, development, reproduction, and even population dynamics of S. avenae. The conditioning varieties affected life-history traits related to individual growth and development to a greater extent, whereas transition varieties affected fecundity and population parameters more.

Modelling audiovisual integration of affect from videos and music.

PubMed

Gao, Chuanji; Wedell, Douglas H; Kim, Jongwan; Weber, Christine E; Shinkareva, Svetlana V

2018-05-01

Two experiments examined how affective values from visual and auditory modalities are integrated. Experiment 1 paired music and videos drawn from three levels of valence while holding arousal constant. Experiment 2 included a parallel combination of three levels of arousal while holding valence constant. In each experiment, participants rated their affective states after unimodal and multimodal presentations. Experiment 1 revealed a congruency effect in which stimulus combinations of the same extreme valence resulted in more extreme state ratings than component stimuli presented in isolation. An interaction between music and video valence reflected the greater influence of negative affect. Video valence was found to have a significantly greater effect on combined ratings than music valence. The pattern of data was explained by a five parameter differential weight averaging model that attributed greater weight to the visual modality and increased weight with decreasing values of valence. Experiment 2 revealed a congruency effect only for high arousal combinations and no interaction effects. This pattern was explained by a three parameter constant weight averaging model with greater weight for the auditory modality and a very low arousal value for the initial state. These results demonstrate key differences in audiovisual integration between valence and arousal.

Dynamical phases in a one-dimensional chain of heterospecies Rydberg atoms with next-nearest-neighbor interactions

NASA Astrophysics Data System (ADS)

Qian, Jing; Zhang, Lu; Zhai, Jingjing; Zhang, Weiping

2015-12-01

We theoretically investigate the dynamical phase diagram of a one-dimensional chain of laser-excited two-species Rydberg atoms. The existence of a variety of unique dynamical phases in the experimentally achievable parameter region is predicted under the mean-field approximation, and the change in those phases when the effect of the next-nearest-neighbor interaction is included is further discussed. In particular, we find that the com-petition of the strong Rydberg-Rydberg interactions and the optical excitation imbalance can lead to the presence of complex multiple chaotic phases, which are highly sensitive to the initial Rydberg-state population and the strength of the next-nearest-neighbor interactions.

Effect of molecular parameters on the binding of phenoxyacetic acid derivatives to albumins.

PubMed

Cserháti, T; Forgács, E; Deyl, Z; Miksík, I

2001-03-25

The interaction of 12 phenoxyacetic acid derivatives with human and serum albumin as well as with egg albumin was studied by charge-transfer reversed-phase (RP) thin-layer chromatography (TLC) and the relative strength of interaction was calculated. Each phenoxyacetic acid derivative interacted with human and bovine serum albumins whereas no interaction was observed with egg albumin. Stepwise regression analysis proved that the lipophilicity of the derivatives exert a significant impact on their capacity to bind to serum albumins. This result supports the hypothesis that the binding of phenoxyacetic acid derivatives to albumins may involve hydrophobic forces occurring between the corresponding apolar substructures of these derivatives and the amino acid side chains.

Fidelity study of superconductivity in extended Hubbard models

NASA Astrophysics Data System (ADS)

Plonka, N.; Jia, C. J.; Wang, Y.; Moritz, B.; Devereaux, T. P.

2015-07-01

The Hubbard model with local on-site repulsion is generally thought to possess a superconducting ground state for appropriate parameters, but the effects of more realistic long-range Coulomb interactions have not been studied extensively. We study the influence of these interactions on superconductivity by including nearest- and next-nearest-neighbor extended Hubbard interactions in addition to the usual on-site terms. Utilizing numerical exact diagonalization, we analyze the signatures of superconductivity in the ground states through the fidelity metric of quantum information theory. We find that nearest and next-nearest neighbor interactions have thresholds above which they destabilize superconductivity regardless of whether they are attractive or repulsive, seemingly due to competing charge fluctuations.

Moderate effects of apple juice consumption on obesity-related markers in obese men: impact of diet-gene interaction on body fat content.

PubMed

Barth, Stephan W; Koch, Tatiana C L; Watzl, Bernhard; Dietrich, Helmut; Will, Frank; Bub, Achim

2012-10-01

The effect of polyphenol-rich cloudy apple juice (CloA) consumption on plasma parameters related to the obesity phenotype and potential effects of interactions between CloA and allelic variants in obesity candidate genes were assessed in obese men. In this controlled, randomized, and parallel study, n = 68, non-smoking, non-diabetic men with a BMI ≥27 kg/m(2) received 750 mL/day CloA (802.5 mg polyphenols) or 750 mL/day control beverage (CB, isocaloric equivalent to CloA) for 4 weeks. Further, study participants were genotyped for single-nucleotide polymorphisms in PPARγ (rs1801282), UCP3 (rs1800849), IL-6 (rs1800795), FABP2 (rs1799883), INSIG2 (rs7566605), and PGC1 (rs8192678) genes. At the beginning and at the end of intervention plasma lipids, distinct adipokines and cytokines as well as anthropometric parameters were determined. CloA compared to CB had no significant effect on plasma lipids, plasma adipokine and cytokine levels, BMI, and waist circumference. However, CloA consumption significantly reduced percent body fat compared to CB (∆ % body fat: CloA: -1.0 ± 1.3 vs. CB: -0.2 ± 0.9, p < 0.05). The IL-6-174 G/C polymorphism showed an interaction with body fat reduction induced by CloA. Solely in C/C, but not in G/C or G/G variants, a significant reduction in body fat after 4 weeks of CloA intervention was detectable. The observed diet-gene interaction might be a first indication for the impact of individual genetic background on CloA-mediated bioactivity on obesity-associated comorbidities.

Neuropsychological correlates of transcription factor AP-2Beta, and its interaction with COMT and MAOA in healthy females.

PubMed

Schabram, Ina; Eggermann, Thomas; Siegel, Steven J; Gründer, Gerhard; Zerres, Klaus; Vernaleken, Ingo

2013-01-01

The transcription factor AP-2β has been shown to impact clinical and neuropsychological properties. Apparently, it regulates the transcription of genes that code for molecules which are part of the catecholaminergic transmission system. This investigation focuses on possible effects of the transcription factor AP-2β intron 2 polymorphism on cognitive performance parameters. This hypothesis-driven investigation examined the effects and interactions of the transcription factor AP-2β intron 2 polymorphism, the Val158Met catechol-O-methyltransferase (COMT) polymorphism, and the variable number of tandem repeat polymorphism of monoamine oxidase A (MAOA) on cognitive performance parameters within a group of 200 healthy women (age: mean ± SD, 23.93 ± 3.33 years). The AP-2β polymorphism significantly influenced cognitive performance (in particular, the Trail Making Test part B), whereas the MAOA and COMT polymorphisms did not. However, there was an interaction effect of the AP-2β × MAOA × COMT genotypes on the decision bias β of the degraded-stimulus version of the continuous performance task. Only the Val158Met COMT polymorphism showed an influence on personality questionnaires (openness and self-transcendence; NEO Five-Factor Inventory, Temperament and Character Inventory). The transcription factor AP-2β intron 2 polymorphism had more influence on cognition than the MAOA and COMT polymorphisms. Possibly, the AP-2β genotype might influence cognition through pathways other than those that regulate MAOA and COMT transcription. Interactions of transcription factor AP-2β, COMT, and MAOA polymorphisms suggest higher leverage effects of transcription factor AP-2β in subjects with high dopamine availability. Copyright © 2013 S. Karger AG, Basel.

Investigation of pajama properties on skin under mild cold conditions: the interaction between skin and clothing.

PubMed

Yao, Lei; Gohel, Mayur D I; Li, Yi; Chung, Waiyee J

2011-07-01

Clothing is considered the second skin of the human body. The aim of this study was to determine clothing-wearer interaction on skin physiology under mild cold conditions. Skin physiological parameters, subjective sensory response, stress level, and physical properties of clothing fabric from two longitude parallel-designed wear trials were studied. The wear trials involved four kinds of pajamas made from cotton or polyester material that had hydrophilic or hydrophobic treatment, conducted for three weeks under mild cold conditions. Statistical tools, factor analysis, hierarchical linear regression, and logistic regression were applied to analyze the strong predictors of skin physiological parameters, stress level, and sensory response. A framework was established to illustrate clothing-wearer interactions with clothing fabric properties, skin physiology, stress level, and sensory response under mild cold conditions. Fabric has various effects on the human body under mild cold conditions. A fabric's properties influence skin physiology, sensation, and psychological response. © 2011 The International Society of Dermatology.

A study of the interaction between malachite green and lysozyme by steady-state fluorescence.

PubMed

Ding, Fei; Liu, Wei; Liu, Feng; Li, Zhi-Yuan; Sun, Ying

2009-09-01

The interaction of a N-methylated diaminotriphenylmethane dye, malachite green, with lysozyme was investigated by fluorescence spectroscopic techniques under physiological conditions. The binding parameters have been evaluated by fluorescence quenching methods. The results revealed that malachite green caused the fluorescence quenching of lysozyme through a static quenching procedure. The thermodynamic parameters like DeltaH and DeltaS were calculated to be -15.33 kJ mol(-1) and 19.47 J mol(-1) K(-1) according to van't Hoff equation, respectively, which proves main interaction between malachite green and lysozyme is hydrophobic forces and hydrogen bond contact. The distance r between donor (lysozyme) and acceptor (malachite green) was obtained to be 3.82 nm according to Frster's theory. The results of synchronous fluorescence, UV/vis and three-dimensional fluorescence spectra showed that binding of malachite green with lysozyme can induce conformational changes in lysozyme. In addition, the effects of common ions on the constants of lysozyme-malachite green complex were also discussed.

Modeling of Internet Influence on Group Emotion

NASA Astrophysics Data System (ADS)

Czaplicka, Agnieszka; Hołyst, Janusz A.

Long-range interactions are introduced to a two-dimensional model of agents with time-dependent internal variables ei = 0, ±1 corresponding to valencies of agent emotions. Effects of spontaneous emotion emergence and emotional relaxation processes are taken into account. The valence of agent i depends on valencies of its four nearest neighbors but it is also influenced by long-range interactions corresponding to social relations developed for example by Internet contacts to a randomly chosen community. Two types of such interactions are considered. In the first model the community emotional influence depends only on the sign of its temporary emotion. When the coupling parameter approaches a critical value a phase transition takes place and as result for larger coupling constants the mean group emotion of all agents is nonzero over long time periods. In the second model the community influence is proportional to magnitude of community average emotion. The ordered emotional phase was here observed for a narrow set of system parameters.

Modeling mechanical cardiopulmonary interactions for virtual environments.

PubMed

Kaye, J M

1997-01-01

We have developed a computer system for modeling mechanical cardiopulmonary behavior in an interactive, 3D virtual environment. The system consists of a compact, scalar description of cardiopulmonary mechanics, with an emphasis on respiratory mechanics, that drives deformable 3D anatomy to simulate mechanical behaviors of and interactions between physiological systems. Such an environment can be used to facilitate exploration of cardiopulmonary physiology, particularly in situations that are difficult to reproduce clinically. We integrate 3D deformable body dynamics with new, formal models of (scalar) cardiorespiratory physiology, associating the scalar physiological variables and parameters with corresponding 3D anatomy. Our approach is amenable to modeling patient-specific circumstances in two ways. First, using CT scan data, we apply semi-automatic methods for extracting and reconstructing the anatomy to use in our simulations. Second, our scalar models are defined in terms of clinically-measurable, patient-specific parameters. This paper describes our approach and presents a sample of results showing normal breathing and acute effects of pneumothoraces.

Monte Carlo Study of Magnetic Properties of Mixed Spins in a Fullerene X 30 Y 30-Like Structure

NASA Astrophysics Data System (ADS)

Mhirech, A.; Aouini, S.; Alaoui-Ismaili, A.; Bahmad, L.

2018-03-01

In this work, inspiring form of the fullerene-C60 structures, we study the mixed X_{30} Y_{30} fullerene-like structure and investigate its magnetic properties. In a such a structure, the carbons are assumed to be replaced by magnetic atoms having spin moments σ = 1/2 and S = 1. Firstly, we elaborate the ground-state phase diagrams in different physical parameter planes. In a second stage, we investigate the exchange coupling interaction effects in the absence or presence of both external magnetic and crystal fields. Using the Monte Carlo method, we carried out a study of the system magnetic properties and the thermal behavior of such a system for the ferromagnetic case. It is found that the critical temperature increases when increasing the coupling exchange interactions. On the other hand, the coercive magnetic field increases also when increasing the coupling exchange interactions. However, this physical parameter decreases when increasing the reduced temperature.

Community trait overdispersion due to trophic interactions: concerns for assembly process inference

PubMed Central

Petchey, Owen L.

2016-01-01

The expected link between competitive exclusion and community trait overdispersion has been used to infer competition in local communities, and trait clustering has been interpreted as habitat filtering. Such community assembly process inference has received criticism for ignoring trophic interactions, as competition and trophic interactions might create similar trait patterns. While other theoretical studies have generally demonstrated the importance of predation for coexistence, ours provides the first quantitative demonstration of such effects on assembly process inference, using a trait-based ecological model to simulate the assembly of a competitive primary consumer community with and without the influence of trophic interactions. We quantified and contrasted trait dispersion/clustering of the competitive communities with the absence and presence of secondary consumers. Trophic interactions most often decreased trait clustering (i.e. increased dispersion) in the competitive communities due to evenly distributed invasions of secondary consumers and subsequent competitor extinctions over trait space. Furthermore, effects of trophic interactions were somewhat dependent on model parameters and clustering metric. These effects create considerable problems for process inference from trait distributions; one potential solution is to use more process-based and inclusive models in inference. PMID:27733548

van der Waals interaction between a moving nano-cylinder and a liquid thin film.

PubMed

Ledesma-Alonso, René; Raphaël, Elie; Salez, Thomas; Tordjeman, Philippe; Legendre, Dominique

2017-05-24

We study the static and dynamic interaction between a horizontal cylindrical nano-probe and a thin liquid film. The effects of the physical and geometrical parameters, with a special focus on the film thickness, the probe speed, and the distance between the probe and the free surface are analyzed. Deformation profiles have been computed numerically from a Reynolds lubrication equation, coupled to a modified Young-Laplace equation, which takes into account the probe/liquid and the liquid/substrate non-retarded van der Waals interactions. We have found that the film thickness and the probe speed have a significant effect on the threshold separation distance below which the jump-to-contact instability is triggered. These results encourage the use of horizontal cylindrical nano-probes to scan thin liquid films, in order to determine either the physical or geometrical properties of the latter, through the measurement of interaction forces.

Ultraviolet absorption spectrum of the half-filled bilayer graphene

NASA Astrophysics Data System (ADS)

Apinyan, V.; Kopeć, T. K.

2018-07-01

We consider the optical properties of the half-filled AB-stacked bilayer graphene with the excitonic pairing and condensation between the layers. Both intra and interlayer local Coulomb interaction effects have been taken into account and the role of the exact Fermi energy has been discussed in details. We have calculated the absorption coefficient, refractive index, dielectric response functions and the electron energy loss spectrum for different interlayer Coulomb interaction regimes and for different temperatures. Considering the full four-band model for the interacting AB bilayer graphene, a good agreement is achieved with other theoretical and experimental works on the subject, in particular, limiting cases of the theory. The calculations, presented here, permit to estimate accurately the effects of excitonic pairing and condensation on the optical properties of the bilayer graphene. The modifications of the plasmon excitation spectrum are discussed in details for a very large interval of the interlayer interaction parameter.

New procedure for the determination of Hansen solubility parameters by means of inverse gas chromatography.

PubMed

Adamska, K; Bellinghausen, R; Voelkel, A

2008-06-27

The Hansen solubility parameter (HSP) seems to be a useful tool for the thermodynamic characterization of different materials. Unfortunately, estimation of the HSP values can cause some problems. In this work different procedures by using inverse gas chromatography have been presented for calculation of pharmaceutical excipients' solubility parameter. The new procedure proposed, based on the Lindvig et al. methodology, where experimental data of Flory-Huggins interaction parameter are used, can be a reasonable alternative for the estimation of HSP values. The advantage of this method is that the values of Flory-Huggins interaction parameter chi for all test solutes are used for further calculation, thus diverse interactions between test solute and material are taken into consideration.

Some Phthalocyanine and Naphthalocyanine Derivatives as Corrosion Inhibitors for Aluminium in Acidic Medium: Experimental, Quantum Chemical Calculations, QSAR Studies and Synergistic Effect of Iodide Ions.

PubMed

Dibetsoe, Masego; Olasunkanmi, Lukman O; Fayemi, Omolola E; Yesudass, Sasikumar; Ramaganthan, Baskar; Bahadur, Indra; Adekunle, Abolanle S; Kabanda, Mwadham M; Ebenso, Eno E

2015-08-28

The effects of seven macrocyclic compounds comprising four phthalocyanines (Pcs) namely 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine (Pc1), 2,3,9,10,16,17,23,24-octakis(octyloxy)-29H,31H-phthalocyanine (Pc2), 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine (Pc3) and 29H,31H-phthalocyanine (Pc4), and three naphthalocyanines namely 5,9,14,18,23,27,32,36-octabutoxy-2,3-naphthalocyanine (nPc1), 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine (nPc2) and 2,3-naphthalocyanine (nP3) were investigated on the corrosion of aluminium (Al) in 1 M HCl using a gravimetric method, potentiodynamic polarization technique, quantum chemical calculations and quantitative structure activity relationship (QSAR). Synergistic effects of KI on the corrosion inhibition properties of the compounds were also investigated. All the studied compounds showed appreciable inhibition efficiencies, which decrease with increasing temperature from 30 °C to 70 °C. At each concentration of the inhibitor, addition of 0.1% KI increased the inhibition efficiency compared to the absence of KI indicating the occurrence of synergistic interactions between the studied molecules and I(-) ions. From the potentiodynamic polarization studies, the studied Pcs and nPcs are mixed type corrosion inhibitors both without and with addition of KI. The adsorption of the studied molecules on Al surface obeys the Langmuir adsorption isotherm, while the thermodynamic and kinetic parameters revealed that the adsorption of the studied compounds on Al surface is spontaneous and involves competitive physisorption and chemisorption mechanisms. The experimental results revealed the aggregated interactions between the inhibitor molecules and the results further indicated that the peripheral groups on the compounds affect these interactions. The calculated quantum chemical parameters and the QSAR results revealed the possibility of strong interactions between the studied inhibitors and metal surface. QSAR analysis on the quantum chemical parameters obtained with B3LYP/6-31G (d,p) method show that a combination of two quantum chemical parameters to form a composite index provides the best correlation with the experimental data.

Micro- and macroscopic photonic control of matter

NASA Astrophysics Data System (ADS)

Ryabtsev, Anton

This dissertation outlines the development of several methods and techniques that enable comprehensive control of laser-matter interactions and nonlinear optical processes using shaped femtosecond pulses. Manipulation of the spectral phases and amplitudes of femtosecond laser pulses provides an effective way to adjust laser parameters, both those intrinsic to pulse generation within a laser and those induced by laser-matter interactions. When coupled with a fundamental understanding of the interactions between a laser's electric field and the molecules in the propagation media, these methods make the behavior of laser pulses predictable and allow the experimental information they carry to be extracted accurately. The ultimate motivation is to enhance the accuracy and reproducibility of spectroscopic measurements and to control nonlinear processes during light-matter interaction using shaped femtosecond pulses. Ultrafast laser systems have become one of the most important scientific tools in femtochemistry, nanoscale material science, chemical detection and sensing, and many other applications where processes occur at femtosecond (fs, 10-15 of a second) timescales or when broad laser bandwidths are required. As with any measuring instrument, it is very important to know system's exact parameters in order to make meaningful, accurate and reproducible measurements. For ultrafast lasers, these parameters are the intensities of the spectral components, the spectral phase, the temporal profile, the pulse energy, and the spatial laser beam profile. Due to broadband nature of ultrafast laser sources, they are very sensitive to propagation media: gaseous, liquid or solid matter along the paths of laser pulses to the sample, including the material of the sample itself. Optical parameters describing the propagation media, such as linear and nonlinear dispersion, and birefringence, as well as physical parameters, such as temperature and pressure, all affect laser pulse parameters. In order for measurements not to be skewed, these interactions need to be taken into account and mitigated at the time of the experiment or handled later in data analysis and simulations. Experimental results are presented in four chapters. Chapter 2 describes two topics: (1) single-shot real-time monitoring and correction of spectral phase drifts, which commonly originate from temperature and pointing fluctuations inside the laser cavity when the pulses are generated; (2) an all-optical method for controlling the dispersion of femtosecond pulses using other pulses. Chapter 3 focuses on the effects of the propagation media--how intense laser pulses modify media and how, in turn, the media modifies them back--and how these effects can be counteracted. Self-action effects in fused silica are discussed, along with some interesting and unexpected results. A method is then proposed for mitigating self-action processes using binary modulation of the spectral phases of laser pulses. Chapter 4 outlines the design of two laser systems, which are specifically tailored for particular spectroscopic applications and incorporate the comprehensive pulse control described in previous chapters. Chapter 5 shows how control of spatial beam characteristics can be applied to measurements of the mechanical motion of microscale particles and how it can potentially be applied to molecular motion. It also describes an experiment on laser-induced flow in air in which attempts were made to control the macroscopic molecular rotation of gases. My research, with a pulse shaper as the enabling tool, provides important insights into ultrafast scientific studies by making femtosecond laser research more predictable, reliable and practical for measurement and control. In the long term, some of the research methods in this thesis may help the transition of femtosecond lasers from the laboratory environment into clinics, factories, airports, and other everyday settings.

Characterization of hot dense plasma with plasma parameters

NASA Astrophysics Data System (ADS)

Singh, Narendra; Goyal, Arun; Chaurasia, S.

2018-05-01

Characterization of hot dense plasma (HDP) with its parameters temperature, electron density, skin depth, plasma frequency is demonstrated in this work. The dependence of HDP parameters on temperature and electron density is discussed. The ratio of the intensities of spectral lines within HDP is calculated as a function of electron temperature. The condition of weakly coupled for HDP is verified by calculating coupling constant. Additionally, atomic data such as transition wavelength, excitation energies, line strength, etc. are obtained for Be-like ions on the basis of MCDHF method. In atomic data calculations configuration interaction and relativistic effects QED and Breit corrections are newly included for HDP characterization and this is first result of HDP parameters from extreme ultraviolet (EUV) radiations.

Complex free-energy landscapes in biaxial nematic liquid crystals and the role of repulsive interactions: A Wang-Landau study

NASA Astrophysics Data System (ADS)

Kamala Latha, B.; Murthy, K. P. N.; Sastry, V. S. S.

2017-09-01

General quadratic Hamiltonian models, describing the interaction between liquid-crystal molecules (typically with D2 h symmetry), take into account couplings between their uniaxial and biaxial tensors. While the attractive contributions arising from interactions between similar tensors of the participating molecules provide for eventual condensation of the respective orders at suitably low temperatures, the role of cross coupling between unlike tensors is not fully appreciated. Our recent study with an advanced Monte Carlo technique (entropic sampling) showed clearly the increasing relevance of this cross term in determining the phase diagram (contravening in some regions of model parameter space), the predictions of mean-field theory, and standard Monte Carlo simulation results. In this context, we investigated the phase diagrams and the nature of the phases therein on two trajectories in the parameter space: one is a line in the interior region of biaxial stability believed to be representative of the real systems, and the second is the extensively investigated parabolic path resulting from the London dispersion approximation. In both cases, we find the destabilizing effect of increased cross-coupling interactions, which invariably result in the formation of local biaxial organizations inhomogeneously distributed. This manifests as a small, but unmistakable, contribution of biaxial order in the uniaxial phase. The free-energy profiles computed in the present study as a function of the two dominant order parameters indicate complex landscapes. On the one hand, these profiles account for the unusual thermal behavior of the biaxial order parameter under significant destabilizing influence from the cross terms. On the other, they also allude to the possibility that in real systems, these complexities might indeed be inhibiting the formation of a low-temperature biaxial order itself—perhaps reflecting the difficulties in their ready realization in the laboratory.

Physiologically based pharmacokinetic modelling of methotrexate and 6-mercaptopurine in adults and children. Part 2: 6-mercaptopurine and its interaction with methotrexate.

PubMed

Ogungbenro, Kayode; Aarons, Leon

2014-04-01

6-mercaptopurine (6-MP) is a purine antimetabolite and prodrug that undergoes extensive intracellular metabolism to produce thionucleotides, active metabolites which have cytotoxic and immunosuppressive properties. Combination therapies involving 6-MP and methotrexate have shown remarkable results in the cure of childhood acute lymphoblastic leukaemia (ALL) in the last 30 years. 6-MP undergoes very extensive intestinal and hepatic metabolism following oral dosing due to the activity of xanthine oxidase leading to very low and highly variable bioavailability and methotrexate has been demonstrated as an inhibitor of xanthine oxidase. Despite the success recorded in the use of 6-MP in ALL, there is still lack of effect and life threatening toxicity in some patients due to variability in the pharmacokinetics of 6-MP. Also, dose adjustment during treatment is still based on toxicity. The aim of the current work was to develop a mechanistic model that can be used to simulate trial outcomes and help to improve dose individualisation and dosage regimen optimisation. A physiological based pharmacokinetic model was proposed for 6-MP, this model has compartments for stomach, gut lumen, enterocyte, gut tissue, spleen, liver vascular, liver tissue, kidney vascular, kidney tissue, skin, bone marrow, thymus, muscle, rest of body and red blood cells. The model was based on the assumption of the same elimination pathways in adults and children. Parameters of the model include physiological parameters and drug-specific parameter which were obtained from the literature or estimated using plasma and red blood cell concentration data. Age-dependent changes in parameters were implemented for scaling and variability was also introduced on the parameters for prediction. Inhibition of 6-MP first-pass effect by methotrexate was implemented to predict observed clinical interaction between the two drugs. The model was developed successfully and plasma and red blood cell concentrations were adequately predicted both in terms of mean prediction and variability. The predicted interaction between 6-MP and methotrexate was slightly lower than the reported clinical interaction between the two drugs. The model can be used to predict plasma and tissue concentration in adults and children following oral and intravenous dosing and may ultimately help to improve treatment outcome in childhood ALL patients.

A study of environmental effects on galaxy spin using MaNGA data

NASA Astrophysics Data System (ADS)

Lee, Jong Chul; Hwang, Ho Seong; Chung, Haeun

2018-06-01

We investigate environmental effects on galaxy spin using the recent public data of Mapping Nearby Galaxies at APO (MaNGA) integral field spectroscopic survey containing ˜2800 galaxies. We measure the spin parameter of 1830 galaxies through the analysis of two-dimensional stellar kinematic maps within the effective radii, and obtain their large-scale (background mass density from 20 nearby galaxies) and small-scale (distance to and morphology of the nearest neighbour galaxy) environmental parameters for 1529 and 1767 galaxies, respectively. We first examine the mass dependence of galaxy spin, and find that the spin parameter of early-type galaxies decreases with stellar mass at log (M*/M⊙) ≳ 10, consistent with the results from previous studies. We then divide the galaxies into three subsamples using their stellar masses to minimize the mass effects on galaxy spin. The spin parameters of galaxies in each subsample do not change with background mass density, but do change with distance to and morphology of the nearest neighbour. In particular, the spin parameter of late-type galaxies decreases as early-type neighbours approach within the virial radius. These results suggest that the large-scale environments hardly affect the galaxy spin, but the small-scale environments such as hydrodynamic galaxy-galaxy interactions can play a substantial role in determining galaxy spin.

Consumer-resource theory predicts dynamic transitions between outcomes of interspecific interactions.

PubMed

Holland, J Nathaniel; DeAngelis, Donald L

2009-12-01

Interactions between two populations are often defined by their interaction outcomes; that is, the positive, neutral, or negative effects of species on one another. Yet, signs of outcomes are not absolute, but vary with the biotic and abiotic contexts of interactions. Here, we develop a general theory for transitions between outcomes based on consumer-resource (C-R) interactions in which one or both species exploit the other as a resource. Simple models of C-R interactions revealed multiple equilibria, including one for species coexistence and others for extinction of one or both species, indicating that species' densities alone could determine the fate of interactions. All possible outcomes [(+ +), (+ -), (--), (+ 0), (- 0), (0 0)] of species coexistence emerged merely through changes in parameter values of C-R interactions, indicating that variation in C-R interactions resulting from biotic and abiotic conditions could determine shifts in outcomes. These results suggest that C-R interactions can provide a broad mechanism for understanding context- and density-dependent transitions between interaction outcomes.

Consumer-resource theory predicts dynamic transitions between outcomes of interspecific interactions

USGS Publications Warehouse

Holland, J. Nathaniel; DeAngelis, Donald L.

2009-01-01

Interactions between two populations are often defined by their interaction outcomes; that is, the positive, neutral, or negative effects of species on one another. Yet, signs of outcomes are not absolute, but vary with the biotic and abiotic contexts of interactions. Here, we develop a general theory for transitions between outcomes based on consumer-resource (C-R) interactions in which one or both species exploit the other as a resource. Simple models of C-R interactions revealed multiple equilibria, including one for species coexistence and others for extinction of one or both species, indicating that species densities alone could determine the fate of interactions. All possible outcomes (+ +), (+ -), (- -), (+ 0), (- 0), (0 0) of species coexistence emerged merely through changes in parameter values of C-R interactions, indicating that variation in C-R interactions resulting from biotic and abiotic conditions could determine shifts in outcomes. These results suggest that C-R interactions can provide a broad mechanism for understanding context- and density-dependent transitions between interaction outcomes.

Spray-drying nanocapsules in presence of colloidal silica as drying auxiliary agent: formulation and process variables optimization using experimental designs.

PubMed

Tewa-Tagne, Patrice; Degobert, Ghania; Briançon, Stéphanie; Bordes, Claire; Gauvrit, Jean-Yves; Lanteri, Pierre; Fessi, Hatem

2007-04-01

Spray-drying process was used for the development of dried polymeric nanocapsules. The purpose of this research was to investigate the effects of formulation and process variables on the resulting powder characteristics in order to optimize them. Experimental designs were used in order to estimate the influence of formulation parameters (nanocapsules and silica concentrations) and process variables (inlet temperature, spray-flow air, feed flow rate and drying air flow rate) on spray-dried nanocapsules when using silica as drying auxiliary agent. The interactions among the formulation parameters and process variables were also studied. Responses analyzed for computing these effects and interactions were outlet temperature, moisture content, operation yield, particles size, and particulate density. Additional qualitative responses (particles morphology, powder behavior) were also considered. Nanocapsules and silica concentrations were the main factors influencing the yield, particulate density and particle size. In addition, they were concerned for the only significant interactions occurring among two different variables. None of the studied variables had major effect on the moisture content while the interaction between nanocapsules and silica in the feed was of first interest and determinant for both the qualitative and quantitative responses. The particles morphology depended on the feed formulation but was unaffected by the process conditions. This study demonstrated that drying nanocapsules using silica as auxiliary agent by spray drying process enables the obtaining of dried micronic particle size. The optimization of the process and the formulation variables resulted in a considerable improvement of product yield while minimizing the moisture content.

Sensitivity analysis and nonlinearity assessment of steam cracking furnace process

NASA Astrophysics Data System (ADS)

Rosli, M. N.; Sudibyo, Aziz, N.

2017-11-01

In this paper, sensitivity analysis and nonlinearity assessment of cracking furnace process are presented. For the sensitivity analysis, the fractional factorial design method is employed as a method to analyze the effect of input parameters, which consist of four manipulated variables and two disturbance variables, to the output variables and to identify the interaction between each parameter. The result of the factorial design method is used as a screening method to reduce the number of parameters, and subsequently, reducing the complexity of the model. It shows that out of six input parameters, four parameters are significant. After the screening is completed, step test is performed on the significant input parameters to assess the degree of nonlinearity of the system. The result shows that the system is highly nonlinear with respect to changes in an air-to-fuel ratio (AFR) and feed composition.

Attraction between Opposing Planar Dipolar Polymer Brushes

DOE PAGES

Mahalik, J. P.; Sumpter, Bobby G.; Kumar, Rajeev

2017-08-01

In this paper, we use a field theory approach to study the effects of permanent dipoles on interpenetration and free energy changes as a function of distance between two identical planar polymer brushes. Melts (i.e., solvent-free) and solvated brushes made up of polymers grafted on nonadsorbing substrates are studied. In particular, the weak coupling limit of the dipolar interactions is considered, which leads to concentration-dependent pairwise interactions, and the effects of orientational order are neglected. It is predicted that a gradual increase in the dipole moment of the polymer segments can lead to attractive interactions between the brushes at intermediatemore » separation distances. Finally, because classical theory of polymer brushes based on the strong stretching limit (SSL) and the standard self-consistent field theory (SCFT) simulations using the Flory’s χ parameter always predicts repulsive interactions at all separations, our work highlights the importance of dipolar interactions in tailoring and accurately predicting forces between polar polymeric interfaces in contact with each other.« less

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

Mahalik, J. P.; Sumpter, Bobby G.; Kumar, Rajeev

In this paper, we use a field theory approach to study the effects of permanent dipoles on interpenetration and free energy changes as a function of distance between two identical planar polymer brushes. Melts (i.e., solvent-free) and solvated brushes made up of polymers grafted on nonadsorbing substrates are studied. In particular, the weak coupling limit of the dipolar interactions is considered, which leads to concentration-dependent pairwise interactions, and the effects of orientational order are neglected. It is predicted that a gradual increase in the dipole moment of the polymer segments can lead to attractive interactions between the brushes at intermediatemore » separation distances. Finally, because classical theory of polymer brushes based on the strong stretching limit (SSL) and the standard self-consistent field theory (SCFT) simulations using the Flory’s χ parameter always predicts repulsive interactions at all separations, our work highlights the importance of dipolar interactions in tailoring and accurately predicting forces between polar polymeric interfaces in contact with each other.« less

Uncovering Patterns of Inter-Urban Trip and Spatial Interaction from Social Media Check-In Data

PubMed Central

Liu, Yu; Sui, Zhengwei; Kang, Chaogui; Gao, Yong

2014-01-01

The article revisits spatial interaction and distance decay from the perspective of human mobility patterns and spatially-embedded networks based on an empirical data set. We extract nationwide inter-urban movements in China from a check-in data set that covers half a million individuals within 370 cities to analyze the underlying patterns of trips and spatial interactions. By fitting the gravity model, we find that the observed spatial interactions are governed by a power law distance decay effect. The obtained gravity model also closely reproduces the exponential trip displacement distribution. The movement of an individual, however, may not obey the same distance decay effect, leading to an ecological fallacy. We also construct a spatial network where the edge weights denote the interaction strengths. The communities detected from the network are spatially cohesive and roughly consistent with province boundaries. We attribute this pattern to different distance decay parameters between intra-province and inter-province trips. PMID:24465849

Uncovering patterns of inter-urban trip and spatial interaction from social media check-in data.

PubMed

Liu, Yu; Sui, Zhengwei; Kang, Chaogui; Gao, Yong

2014-01-01

The article revisits spatial interaction and distance decay from the perspective of human mobility patterns and spatially-embedded networks based on an empirical data set. We extract nationwide inter-urban movements in China from a check-in data set that covers half a million individuals within 370 cities to analyze the underlying patterns of trips and spatial interactions. By fitting the gravity model, we find that the observed spatial interactions are governed by a power law distance decay effect. The obtained gravity model also closely reproduces the exponential trip displacement distribution. The movement of an individual, however, may not obey the same distance decay effect, leading to an ecological fallacy. We also construct a spatial network where the edge weights denote the interaction strengths. The communities detected from the network are spatially cohesive and roughly consistent with province boundaries. We attribute this pattern to different distance decay parameters between intra-province and inter-province trips.

Introducing a novel interaction model structure for the combined effect of temperature and pH on the microbial growth rate.

PubMed

Akkermans, Simen; Noriega Fernandez, Estefanía; Logist, Filip; Van Impe, Jan F

2017-01-02

Efficient modelling of the microbial growth rate can be performed by combining the effects of individual conditions in a multiplicative way, known as the gamma concept. However, several studies have illustrated that interactions between different effects should be taken into account at stressing environmental conditions to achieve a more accurate description of the growth rate. In this research, a novel approach for modeling the interactions between the effects of environmental conditions on the microbial growth rate is introduced. As a case study, the effect of temperature and pH on the growth rate of Escherichia coli K12 is modeled, based on a set of computer controlled bioreactor experiments performed under static environmental conditions. The models compared in this case study are the gamma model, the model of Augustin and Carlier (2000), the model of Le Marc et al. (2002) and the novel multiplicative interaction model, developed in this paper. This novel model enables the separate identification of interactions between the effects of two (or more) environmental conditions. The comparison of these models focuses on the accuracy, interpretability and compatibility with efficient modeling approaches. Moreover, for the separate effects of temperature and pH, new cardinal parameter model structures are proposed. The novel interaction model contributes to a generic modeling approach, resulting in predictive models that are (i) accurate, (ii) easily identifiable with a limited work load, (iii) modular, and (iv) biologically interpretable. Copyright © 2016. Published by Elsevier B.V.

Ghost Dark Energy with Sign-changeable Interaction Term

NASA Astrophysics Data System (ADS)

Zadeh, M. Abdollahi; Sheykhi, A.; Moradpour, H.

2017-11-01

Regarding the Veneziano ghost of QCD and its generalized form, we consider a Friedmann-Robertson-Walker (FRW) universe filled by a pressureless matter and a dark energy component interacting with each other through a mutual sign-changeable interaction of positive coupling constant. Our study shows that, at the late time, for the deceleration parameter we have q → -1, while the equation of state parameter of the interacting ghost dark energy (GDE) does not cross the phantom line, namely ω D ≥ -1. We also extend our study to the generalized ghost dark energy (GGDE) model and show that, at late time, the equation of state parameter of the interacting GGDE also respects the phantom line in both flat and non-flat universes. Moreover, we find out that, unlike the non-flat universe, we have q → -1 at late time for flat FRW universe. In order to make the behavior of the underlying models more clear, the deceleration parameter q as well as the equation of state parameter w D for flat and closed universes have been plotted against the redshift parameter, z. All of the studied cases admit a transition in the expansion history of universe from a deceleration phase to an accelerated one around z ≈ 0.6.

Effects of Electrical and Optogenetic Deep Brain Stimulation on Synchronized Oscillatory Activity in Parkinsonian Basal Ganglia.

PubMed

Ratnadurai-Giridharan, Shivakeshavan; Cheung, Chung C; Rubchinsky, Leonid L

2017-11-01

Conventional deep brain stimulation of basal ganglia uses high-frequency regular electrical pulses to treat Parkinsonian motor symptoms but has a series of limitations. Relatively new and not yet clinically tested, optogenetic stimulation is an effective experimental stimulation technique to affect pathological network dynamics. We compared the effects of electrical and optogenetic stimulation of the basal gangliaon the pathologicalParkinsonian rhythmic neural activity. We studied the network response to electrical stimulation and excitatory and inhibitory optogenetic stimulations. Different stimulations exhibit different interactions with pathological activity in the network. We studied these interactions for different network and stimulation parameter values. Optogenetic stimulation was found to be more efficient than electrical stimulation in suppressing pathological rhythmicity. Our findings indicate that optogenetic control of neural synchrony may be more efficacious than electrical control because of the different ways of how stimulations interact with network dynamics.

The gravitomagnetic interaction and its relationship to other relativistic gravitational effects

NASA Technical Reports Server (NTRS)

Nordtvedt, Kenneth

1991-01-01

To better understand the relationship between the expected precession rates of an orbiting gyroscope (GP-B) and other observable consequences in the solar system of relativistic, post-Newtonian gravity, a phenomenological model was developed of post-Newtonian gravity which presupposes the very minimum possible concerning the nature and foundations of the gravitational interaction. Solar system observations, chiefly interplanetary ranging, fix all the parameters in the phenomenological model to various levels of precision. This permits prediction of gyroscope precession rates to better than 10 pct. accuracy. A number of new precession terms are calculated which would exist if gravity were not a metric field phenomenon, but this would clash with other empirical observations of post-Newtonian effects in gravity. It is shown that gravitomagnetism, the post-Newtonian gravitational corrections to the interactions between moving matter, plays a ubiquitous role in determining a wide variety of gravitational effects, including the precession of orbiting gyroscopes.

Ion specific effects: decoupling ion-ion and ion-water interactions

PubMed Central

Song, Jinsuk; Kang, Tae Hui; Kim, Mahn Won; Han, Songi

2015-01-01

Ion-specific effects in aqueous solution, known as the Hofmeister effect is prevalent in diverse systems ranging from pure ionic to complex protein solutions. The objective of this paper is to explicitly demonstrate how complex ion-ion and ion-water interactions manifest themselves in the Hofmeister effects, based on a series of recent experimental observation. These effects are not considered in the classical description of ion effects, such as the Deryaguin-Landau-Verwey-Overbeek (DLVO) theory that, likely for that reason, fail to describe the origin of the phenomenological Hofmeister effect. However, given that models considering the basic forces of electrostatic and van der Waals interactions can offer rationalization for the core experimental observations, a universal interaction model stands a chance to be developed. In this perspective, we separately derive the contribution from ion-ion electrostatic interaction and ion-water interaction from second harmonic generation (SHG) data at the air-ion solution interface, which yields an estimate of ion-water interactions in solution. Hofmeister ion effects observed on biological solutes in solution should be similarly influenced by contributions from ion-ion and ion-water interactions, where the same ion-water interaction parameters derived from SHG data at the air-ion solution interface could be applicable. A key experimental data set available from solution systems to probe ion-water interaction is the modulation of water diffusion dynamics near ions in bulk ion solution, as well as near biological liposome surfaces. It is obtained from Overhauser dynamic nuclear polarization (ODNP), a nuclear magnetic resonance (NMR) relaxometry technique. The surface water diffusivity is influenced by the contribution from ion-water interactions, both from localized surface charges and adsorbed ions, although the relative contribution of the former is larger on liposome surfaces. In this perspective, ion-water interaction energy values derived from experimental data for various ions are compared with theoretical values in the literature. Ultimately, quantifying ion-induced changes in surface energy for the purpose of developing valid theoretical models for ion-water interaction, will be critical to rationalizing the Hofmeister effect. PMID:25761273

Adsorbed molecules in external fields: Effect of confining potential

NASA Astrophysics Data System (ADS)

Tyagi, Ashish; Silotia, Poonam; Maan, Anjali; Prasad, Vinod

2016-12-01

We study the rotational excitation of a molecule adsorbed on a surface. As is well known the interaction potential between the surface and the molecule can be modeled in number of ways, depending on the molecular structure and the geometry under which the molecule is being adsorbed by the surface. We explore the effect of change of confining potential on the excitation, which is largely controlled by the static electric fields and continuous wave laser fields. We focus on dipolar molecules and hence we restrict ourselves to the first order interaction in field-molecule interaction potential either through permanent dipole moment or/and the molecular polarizability parameter. It is shown that confining potential shapes, strength of the confinement, strongly affect the excitation. We compare our results for different confining potentials.

Dynamic analysis of the American Maglev system. Final report

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

Seda-Sanabria, Y.; Ray, J.C.

1996-06-01

Understanding the dynamic interaction between a magnetic levitated (Maglev) vehicle and its supporting guideway is essential in the evaluation of the performance of such a system. This interacting coupling, known as vehicle/guideway interaction (VGI), has a significant effect on system parameters such as the required magnetic suspension forces and gaps, vehicular ride quality, and guideway deflections and stresses. This report presents the VGI analyses conducted on an actual Maglev system concept definition (SCD), the American Maglev SCD, using a linear-elastic finite-element (FE) model. Particular interest was focused on the comparison of the ride quality of the vehicle, using two differentmore » suspension systems, and their effect on the guideway structure. The procedure and necessary assumptions in the modeling are discussed.« less

Interactions of cephalexin with bovine serum albumin: displacement reaction and molecular docking.

PubMed

Hamishehkar, Hamed; Hosseini, Soheila; Naseri, Abdolhossein; Safarnejad, Azam; Rasoulzadeh, Farzaneh

2016-01-01

Introduction: The drug-plasma protein interaction is a fundamental issue in guessing and checking the serious drug side effects related with other drugs. The purpose of this research was to study the interaction of cephalexin with bovine serum albumin (BSA) and displacement reaction using site probes. Methods: The interaction mechanism concerning cephalexin (CPL) with BSA was investigated using various spectroscopic methods and molecular modeling method. The binding sites number, n, apparent binding constant, K, and thermodynamic parameters, ΔG 0 , ΔH 0 , and ΔS 0 were considered at different temperatures. To evaluate the experimental results, molecular docking modeling was calculated. Results: The distance, r=1.156 nm between BSA and CPL were found in accordance with the Forster theory of non-radiation energy transfer (FRET) indicating energy transfer occurs between BSA and CPL. According to the binding parameters and ΔG 0 = negative values and ΔS 0 = 28.275 j mol -1 K -1 , a static quenching process is effective in the CPL-BSA interaction spontaneously. ΔG 0 for the CPL-BSA complex obtained from the docking simulation is -28.99 kj mol -1 , which is close to experimental ΔG of binding, -21.349 kj mol -1 that indicates a good agreement between the results of docking methods and experimental data. Conclusion: The outcomes of spectroscopic methods revealed that the conformation of BSA changed during drug-BSA interaction. The results of FRET propose that CPL quenches the fluorescence of BSA by static quenching and FRET. The displacement study showed that phenylbutazon and ketoprofen displaced CPL, indicating that its binding site on albumin is site I and Gentamicin cannot be displaced from the binding site of CPL. All results of molecular docking method agreed with the results of experimental data.

A new parameter-free soft-core potential for silica and its application to simulation of silica anomalies

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

Izvekov, Sergei, E-mail: sergiy.izvyekov.civ@mail.mil; Rice, Betsy M.

2015-12-28

A core-softening of the effective interaction between oxygen atoms in water and silica systems and its role in developing anomalous thermodynamic, transport, and structural properties have been extensively debated. For silica, the progress with addressing these issues has been hampered by a lack of effective interaction models with explicit core-softening. In this work, we present an extension of a two-body soft-core interatomic force field for silica recently reported by us [S. Izvekov and B. M. Rice, J. Chem. Phys. 136(13), 134508 (2012)] to include three-body forces. Similar to two-body interaction terms, the three-body terms are derived using parameter-free force-matching ofmore » the interactions from ab initio MD simulations of liquid silica. The derived shape of the O–Si–O three-body potential term affirms the existence of repulsion softening between oxygen atoms at short separations. The new model shows a good performance in simulating liquid, amorphous, and crystalline silica. By comparing the soft-core model and a similar model with the soft-core suppressed, we demonstrate that the topology reorganization within the local tetrahedral network and the O–O core-softening are two competitive mechanisms responsible for anomalous thermodynamic and kinetic behaviors observed in liquid and amorphous silica. The studied anomalies include the temperature of density maximum locus and anomalous diffusivity in liquid silica, and irreversible densification of amorphous silica. We show that the O–O core-softened interaction enhances the observed anomalies primarily through two mechanisms: facilitating the defect driven structural rearrangements of the silica tetrahedral network and modifying the tetrahedral ordering induced interactions toward multiple characteristic scales, the feature which underlies the thermodynamic anomalies.« less

Interactions in Undersaturated and Supersaturated Lysozyme Solutions: Static and Dynamic Light Scattering Results

NASA Technical Reports Server (NTRS)

Muschol, Martin; Rosenberger, Franz

1995-01-01

We have performed multiangle static and dynamic light scattering studies of lysozyme solutions at pH=4.7. The Rayleigh ratio R(sub g) and the collective diffusion coefficient D(sub c) were determined as function of both protein concentration c(sub p) and salt concentration c(sub s) with two different salts. At low salt concentrations, the scattering ratio K(sub c)(sub p)/R(sub theta) and diffusivity increased with protein concentration above the values for a monomeric, ideal solution. With increasing salt concentration this trend was eventually reversed. The hydrodynamic interactions of lysozyme in solution, extracted from the combination of static and dynamic scattering data, decreased significantly with increasing salt concentration. These observations reflect changes in protein interactions, in response to increased salt screening, from net repulsion to net attraction. Both salts had the same qualitative effect, but the quantitative behavior did not scale with the ionic strength of the solution. This indicates the presence of salt specific effects. At low protein concentrations, the slopes of K(sub c)(sub p)/R(sub theta) and D(sub c) vs c(sub p) were obtained. The dependence of the slopes on ionic strength was modeled using a DLVO potential for colloidal interactions of two spheres, with the net protein charge Z(sub e) and Hamaker constant A(sub H) as fitting parameters. The model reproduces the observed variations with ionic strength quite well. Independent fits to the static and dynamic data, however, led to different values of the fitting parameters. These and other shortcomings suggest that colloidal interaction models alone are insufficient to explain protein interactions in solutions.

Influence of simulation parameters on the speed and accuracy of Monte Carlo calculations using PENEPMA

NASA Astrophysics Data System (ADS)

Llovet, X.; Salvat, F.

2018-01-01

The accuracy of Monte Carlo simulations of EPMA measurements is primarily determined by that of the adopted interaction models and atomic relaxation data. The code PENEPMA implements the most reliable general models available, and it is known to provide a realistic description of electron transport and X-ray emission. Nonetheless, efficiency (i.e., the simulation speed) of the code is determined by a number of simulation parameters that define the details of the electron tracking algorithm, which may also have an effect on the accuracy of the results. In addition, to reduce the computer time needed to obtain X-ray spectra with a given statistical accuracy, PENEPMA allows the use of several variance-reduction techniques, defined by a set of specific parameters. In this communication we analyse and discuss the effect of using different values of the simulation and variance-reduction parameters on the speed and accuracy of EPMA simulations. We also discuss the effectiveness of using multi-core computers along with a simple practical strategy implemented in PENEPMA.

Crystal field effect in light actinide dioxides and oxychalcogenides-a unified phenomenological description

NASA Astrophysics Data System (ADS)

Gajek, Z.

2004-05-01

The electronic properties of the actinide ions in the series of semi-conducting, antiferromagnetic compounds: dioxides, AnO2 and oxychalcogenides, AnOY, where An=U, Np and Y=S, Se, are re-examined from the point of view of the consistency of the crystal field (CF) model. The discussion is based on the supposition that the effective metal-ligand interaction solely determines the net CF effect in non-metallic compounds. The main question we address here is, whether a reliable, consistent description of the CF effect in terms of the intrinsic parameters can be achieved for this particular family of compounds. Encouraging calculations reported previously for the AnO2 and UOY series serve as a reference data in the present estimation of electronic structure parameters for neptunium oxychalcogenides.

Reconstruction of interaction rate in holographic dark energy

NASA Astrophysics Data System (ADS)

Mukherjee, Ankan

2016-11-01

The present work is based on the holographic dark energy model with Hubble horizon as the infrared cut-off. The interaction rate between dark energy and dark matter has been reconstructed for three different parameterizations of the deceleration parameter. Observational constraints on the model parameters have been obtained by maximum likelihood analysis using the observational Hubble parameter data (OHD), type Ia supernovab data (SNe), baryon acoustic oscillation data (BAO) and the distance prior of cosmic microwave background (CMB) namely the CMB shift parameter data (CMBShift). The interaction rate obtained in the present work remains always positive and increases with expansion. It is very similar to the result obtained by Sen and Pavon [1] where the interaction rate has been reconstructed for a parametrization of the dark energy equation of state. Tighter constraints on the interaction rate have been obtained in the present work as it is based on larger data sets. The nature of the dark energy equation of state parameter has also been studied for the present models. Though the reconstruction is done from different parametrizations, the overall nature of the interaction rate is very similar in all the cases. Different information criteria and the Bayesian evidence, which have been invoked in the context of model selection, show that the these models are at close proximity of each other.

Algorithm sensitivity analysis and parameter tuning for tissue image segmentation pipelines

PubMed Central

Kurç, Tahsin M.; Taveira, Luís F. R.; Melo, Alba C. M. A.; Gao, Yi; Kong, Jun; Saltz, Joel H.

2017-01-01

Abstract Motivation: Sensitivity analysis and parameter tuning are important processes in large-scale image analysis. They are very costly because the image analysis workflows are required to be executed several times to systematically correlate output variations with parameter changes or to tune parameters. An integrated solution with minimum user interaction that uses effective methodologies and high performance computing is required to scale these studies to large imaging datasets and expensive analysis workflows. Results: The experiments with two segmentation workflows show that the proposed approach can (i) quickly identify and prune parameters that are non-influential; (ii) search a small fraction (about 100 points) of the parameter search space with billions to trillions of points and improve the quality of segmentation results (Dice and Jaccard metrics) by as much as 1.42× compared to the results from the default parameters; (iii) attain good scalability on a high performance cluster with several effective optimizations. Conclusions: Our work demonstrates the feasibility of performing sensitivity analyses, parameter studies and auto-tuning with large datasets. The proposed framework can enable the quantification of error estimations and output variations in image segmentation pipelines. Availability and Implementation: Source code: https://github.com/SBU-BMI/region-templates/. Contact: teodoro@unb.br Supplementary information: Supplementary data are available at Bioinformatics online. PMID:28062445

Algorithm sensitivity analysis and parameter tuning for tissue image segmentation pipelines.

PubMed

Teodoro, George; Kurç, Tahsin M; Taveira, Luís F R; Melo, Alba C M A; Gao, Yi; Kong, Jun; Saltz, Joel H

2017-04-01

Sensitivity analysis and parameter tuning are important processes in large-scale image analysis. They are very costly because the image analysis workflows are required to be executed several times to systematically correlate output variations with parameter changes or to tune parameters. An integrated solution with minimum user interaction that uses effective methodologies and high performance computing is required to scale these studies to large imaging datasets and expensive analysis workflows. The experiments with two segmentation workflows show that the proposed approach can (i) quickly identify and prune parameters that are non-influential; (ii) search a small fraction (about 100 points) of the parameter search space with billions to trillions of points and improve the quality of segmentation results (Dice and Jaccard metrics) by as much as 1.42× compared to the results from the default parameters; (iii) attain good scalability on a high performance cluster with several effective optimizations. Our work demonstrates the feasibility of performing sensitivity analyses, parameter studies and auto-tuning with large datasets. The proposed framework can enable the quantification of error estimations and output variations in image segmentation pipelines. Source code: https://github.com/SBU-BMI/region-templates/ . teodoro@unb.br. Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press.