Simulating the Dynamics of Particles Interacting with Solidification Fronts (Preprint - Briefing Charts)

DTIC Science & Technology

2007-07-01

A π =Π )( lslpsp γγγγ +−=Δ A = Hamaker constant ~ Δγ Δγ > 0 repulsive Δγ < 0 attractive VSparticle solid liquid d Previous work on thermal effects of...Solidification velocity = 500 microns/sec, Rp = 1 micron, Hamaker = -8E-19 J, kp/kl = 1.0 (planar), no premelting Vs Vt Vp Velocity vs. t and d vs. t plots...premelting Solidification velocity = 500 microns/sec, Rp = 1 micron, Hamaker = -8E-19 J, kp/kl = 1.0 (planar), premelting kp/kl ≥ 1.0 ALWAYS ENGULFS

Carbon Nanotube Oscillator Surface Profiling Device and Method of Use

DTIC Science & Technology

2011-11-15

distance p. The constants A and B are the Hamaker constants, which depend on the materials of the two interacting bodies. The total vdW inter...wall CNT 45 with 2L1 =2L2 =150 A and a sample of specific material char- acterized with atomic density a, Hamaker constants A and B, and a friction

Acoustic Studies of Colloidal Suspensions and Marine Sediments. I. Theoretical Considerations and High Frequency Measurements.

DTIC Science & Technology

1980-01-15

coth(KH/2) - 1] (5) 16 Similarly, Hamaker has shown that the potential energy of in- teraction due to van der Waals-London attractive forces between...two flat plates of thickness t is given by AIVA 121r [=H0 (Ho0’+2t)-" (Ho0+t)/z (6 where A is the Hamaker constant for interaction of the particles. It...deflocculation by adsorption of montmorillonite particles. K I1 - 54 - Key to Symbols A Hamaker constant VA attractive energy A area in eq. (44) V

Deformation Response of Conformally Coated Carbon Nanotube Forests

DTIC Science & Technology

2013-11-05

forces between bare CNTs compared to coated CNTs that keep them together when bent. The vdW forces are proportional to the Hamaker constant [49...Chemistry 3rd edn (New York: Dekker) p 650 [50] Lefèvre G and Jolivet A 2009 Calculation of Hamaker constants applied to the deposition of metallic oxide

Spectral parameters and Hamaker constants of silicon hydride compounds and organic solvents.

PubMed

Masuda, Takashi; Matsuki, Yasuo; Shimoda, Tatsuya

2009-12-15

Cyclopentasilane (CPS) and polydihydrosilane, which consist of hydrogen and silicon only, are unique materials that can be used to produce intrinsic silicon film in a liquid process, such as spin coating or an ink-jet method. Wettability and solubility of general organic solvents including the above can be estimated by Hamaker constants, which are calculated according to the Lifshitz theory. In order to calculate a Hamaker constant by the simple spectral method (SSM), it is necessary to obtain absorption frequency and function of oscillator strength in the ultraviolet region. In this report, these physical quantities were obtained by means of an optical method. As a result of examination of the relation between molecular structures and ultraviolet absorption frequencies, which were obtained from various liquid materials, it was concluded that ultraviolet absorption frequencies became smaller as electrons were delocalized. In particular, the absorption frequencies were found to be very small for CPS and polydihydrosilane due to sigma-conjugate of their electrons. The Hamaker constants of CPS and polydihydrosilane were successfully calculated based on the obtained absorption frequency and function of oscillator strength.

Non-contact AFM measurement of the Hamaker constants of solids: Calibrating cantilever geometries.

PubMed

Fronczak, Sean G; Browne, Christopher A; Krenek, Elizabeth C; Beaudoin, Stephen P; Corti, David S

2018-05-01

Surface effects arising from roughness and deformation can negatively affect the results of AFM contact experiments. Using the non-contact portion of an AFM deflection curve is therefore desirable for estimating the Hamaker constant, A, of a solid material. A previously validated non-contact quasi-dynamic method for estimating A is revisited, in which the cantilever tip is now always represented by an "effective sphere". In addition to simplifying this previous method, accurate estimates of A can still be obtained even though precise knowledge of the nanoscale geometric features of the cantilever tip are no longer required. The tip's "effective" radius of curvature, R eff , is determined from a "calibration" step, in which the tip's deflection at first contact with the surface is measured for a substrate with a known Hamaker constant. After R eff is known for a given tip, estimates of A for other surfaces of interest are then determined. An experimental study was conducted to validate the new method and the obtained results are in good agreement with predictions from the Lifshitz approximation, when available. Since R eff accounts for all geometric uncertainties of the tip through a single fitted parameter, no visual fitting of the tip shape was required. Copyright © 2018 Elsevier Inc. All rights reserved.

The effect of solid interaction forces on pneumatic handling of sorbent powders

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

Lee, R.J.; Fan, L.S.

1993-06-01

This study shows that a comparison of powder characteristics--particle morphologies, particle size distributions, and static dielectric and Hamaker constants--can be used to interpret differences in dispersion and transport behavior between powders. These differences are attributed to the relative values of the solid-solid interaction forces experience by each powder in the process. The static dielectric constants of the powders are used as the material properties related to the relative magnitudes of the electrostatic forces. Similarly, the Hamaker constants are the material properties used to indicate the relative magnitudes of the van der Waals forces. The effects of differences in particle morphologiesmore » and size distributions are used to evaluate the dispersibility and efficiency of transport of four calcium-based powder materials used as sorbents in flue-gas desulfurization.« less

Estimation of Hamaker constants of ceramic materials from optical data using Lifshitz theory

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

Bergstroem, L.; Meurk, A.; Rowcliffe, D.J.

1996-02-01

The Hamaker constants of eight different ceramic materials, 6H-SiC, tetragonal, partially stabilized ZrO{sub 2} (3% Y{sub 2}O{sub 3}), {beta}-Si{sub 3}N{sub 4}, {alpha}-Al{sub 2}O{sub 3}, Y{sub 2}O{sub 3}, sapphire (single-crystal {alpha}-Al{sub 2}O{sub 3}), MgO, MgAl{sub 2}O{sub 4}, and fused silica, across air, water, and n-dodecane at room temperature and across silica at 2,000 K have been calculated from optical data using the Lifshitz theory. Spectroscopic ellipsometry was used to measure the photon energy dependence of the refractive index, n, and the extinction coefficient, k, in the visible and near-UV range on several important ceramic materials. This relatively simple, nondestructive technique hasmore » proved to yield reliable optical data on sintered, polycrystalline materials such as Si{sub 3}N{sub 4}, SiC, ZrO{sub 2}, Al{sub 2}O{sub 3}, and ZnO. For the other materials, Y{sub 2}O{sub 3}, sapphire, MgO, MgAl{sub 2}O{sub 4}, and fused silica, optical data from the literature were used to calculate the Hamaker constants. The calculated Hamaker constants were estimated to be accurate within {+-} 10%.« less

On Modeling Biomolecular-Surface Nonbonded Interactions: Application to Nucleobase Adsorption on Single-Wall Carbon Nanotube Surfaces

DTIC Science & Technology

2012-01-01

expressed in terms of the Hamaker constants Cn, i.e. 1E(R) = − ∑ ∞ n=6 Cn Rn , where R is their separation. The first term (C6) for two molecules A and B...the Hamaker constant is given by C = 1 4π ∫ ∞ 0 duα(iu)( ε(iu)−1 ε(iu)+1 ) [14], where ε(iu) is the frequency- dependent dielectric function at the

A New "Quasi-Dynamic" Method for Determining the Hamaker Constant of Solids Using an Atomic Force Microscope.

PubMed

Fronczak, Sean G; Dong, Jiannan; Browne, Christopher A; Krenek, Elizabeth C; Franses, Elias I; Beaudoin, Stephen P; Corti, David S

2017-01-24

In order to minimize the effects of surface roughness and deformation, a new method for estimating the Hamaker constant, A, of solids using the approach-to-contact regime of an atomic force microscope (AFM) is presented. First, a previous "jump-into-contact" quasi-static method for determining A from AFM measurements is analyzed and then extended to include various AFM tip-surface force models of interest. Then, to test the efficacy of the "jump-into-contact" method, a dynamic model of the AFM tip motion is developed. For finite AFM cantilever-surface approach speeds, a true "jump" point, or limit of stability, is found not to appear, and the quasi-static model fails to represent the dynamic tip behavior at close tip-surface separations. Hence, a new "quasi-dynamic" method for estimating A is proposed that uses the dynamically well-defined deflection at which the tip and surface first come into contact, d c , instead of the dynamically ill-defined "jump" point. With the new method, an apparent Hamaker constant, A app , is calculated from d c and a corresponding quasi-static-based equation. Since A app depends on the cantilever's approach speed, v c , and the AFM's sampling resolution, δ, a double extrapolation procedure is used to determine A app in the quasi-static (v c → 0) and continuous sampling (δ → 0) limits, thereby recovering the "true" value of A. The accuracy of the new method is validated using simulated AFM data. To enable the experimental implementation of this method, a new dimensionless parameter τ is introduced to guide cantilever selection and the AFM operating conditions. The value of τ quantifies how close a given cantilever is to its quasi-static limit for a chosen cantilever-surface approach speed. For sufficiently small values of τ (i.e., a cantilever that effectively behaves "quasi-statically"), simulated data indicate that A app will be within ∼3% or less of the inputted value of the Hamaker constant. This implies that Hamaker constants can be reliably estimated using a single measurement taken with an appropriately chosen cantilever and a slow, yet practical, approach speed (with no extrapolation required). This result is confirmed by the very good agreement found between the experimental AFM results obtained using this new method and previously reported predictions of A for amorphous silica, polystyrene, and α-Al 2 O 3 substrates obtained using the Lifshitz method.

Interfacial electronic structure and full spectral Hamaker constants of Si{sub 3}N{sub 4} intergranular films from VUV and SR-VEEL spectroscopy

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

French, R.H.; Scheu, C.; Duscher, G.

1995-09-01

The interfacial electronic structure, presented as the interband transition strength J{sub cv}({omega}) of the interatomic bonds, can be determined by Kramers Kronig (KK) analysis of vacuum ultraviolet (VUV) reflectance or spatially resolved valence electron energy loss (SR-VEEL) spectra. For the wetted interfaces in Si{sub 3}N{sub 4}, equilibrium thin glass films are formed whose thickness is determined by a force balance between attractive and repulsive force terms KK analysis of J{sub cv}({omega}) to yield {var_epsilon}{sub 2}({xi}) for the phases present, permits the direct calculation of the configuration-dependent Hamaker constants for the attractive vdW forces from the interfacial electronic structure. Interband transitionmore » strengths and full spectral Hamaker constants for Si{sub 3}N{sub 4}samples containing a SiYAlON glass have been determined using SR-VEELS from grains and grain boundaries and compared with results from bulk VUV spectroscopy on separate samples of glass and nitride. The A{sub 121}Hamaker constant for Si{sub 3}N{sub 4} with glass of the bulk composition is 8 zJ (zJ = 10{sup {minus}21}J) from the more established optical method. The EELS method permits the determination of vdW forces based upon actual local compositions and structure, which may differ noticeably from bulk standards. Current results show that full spectral Hamaker constants determined from VUV and SR-VEEL measurements of uniform bulk samples agree, but care must be take in the single scattering and zero loss subtraction corrections, and more work is ongoing in this area. Still the results show that for the grain boundary films present in these polycrystalline Si{sub 3}N{sub 4} samples the glass composition is of lower index of refraction. This can arise from increased oxygen content in determined in situ from the SR-VEELS of a particular grain boundary film. 45 refs.« less

Molecular simulation of disjoining-pressure isotherms for free liquid , Lennard-Jones thin films

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

Bhatt, Divesh; Newman, John; Radke, C.J.

2001-10-01

We present canonical-ensemble molecular-dynamics simulations of disjoining-pressure isotherms in Lennard-Jones free liquid films. Thermodynamics demands that the disjoining pressure is determined uniquely as a function of the chemical potential purely from the phase diagram of the fluid. Our results from molecular dynamics validate this argument. The inverse-sixth-power distance term in the Lennard-Jones intermolecular potential represents van der Waals dispersion forces. Hence, we compare our results with classical Hamaker theory that is based on dispersion forces but assumes a slab geometry for the density profile and completely neglects fluid structure and entropy. We find that the Hamaker constant obtained from ourmore » simulations is about an order of magnitude larger than that from classical theory. To investigate the origin of this discrepancy, we calculate the disjoining-pressure isotherm using a density-functional theory relaxing the inherent assumptions in the Hamaker theory and imparting to the fluid an approximate structure. For disjoining pressure as a function of chemical potential, the results of density-functional theory and molecular dynamics are very close. Even for disjoining-pressure isotherms, and the subsequently calculated Hamaker constant, results of the density-functional theory are closer to the molecular-dynamics simulations by about a factor of 4 compared to Hamaker theory. [References: 44]« less

Calculation of Hamaker constants in non-aqueous fluid media

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

BELL,NELSON S.; DIMOS,DUANE B.

2000-05-09

Calculations of the Hamaker constants representing the van der Waals interactions between conductor, resistor and dielectric materials are performed using Lifshitz theory. The calculation of the parameters for the Ninham-Parsegian relationship for several non-aqueous liquids has been derived based on literature dielectric data. Discussion of the role of van der Waals forces in the dispersion of particles is given for understanding paste formulation. Experimental measurements of viscosity are presented to show the role of dispersant truncation of attractive van der Waals forces.

Stability of colloidal gold and determination of the Hamaker constant

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

Demirci, S.; Enuestuen, B.V.; Turkevich, J.

1978-12-14

Previous computation of stability factors of colloidal gold from coagulation data was found to be in systematic error due to an underestimation of the particle concentration by electron microscopy. A new experimental technique was developed for determination of this concentration. Stability factors were recalculated from the previous data using the correct concentration. While most of the previously reported conclusions remain unchanged, the absolute rate of fast coagulation is found to agree with that predicted by the theory. A value of the Hamaker constant was determined from the corrected data.

An evaluation of complementary approaches to elucidate fundamental interfacial phenomena driving adhesion of energetic materials

DOE PAGES

Hoss, Darby J.; Knepper, Robert; Hotchkiss, Peter J.; ...

2016-03-23

In this study, cohesive Hamaker constants of solid materials are measured via optical and dielectric properties (i.e., Lifshitz theory), inverse gas chromatography (IGC), and contact angle measurements. To date, however, a comparison across these measurement techniques for common energetic materials has not been reported. This has been due to the inability of the community to produce samples of energetic materials that are readily compatible with contact angle measurements. Here we overcome this limitation by using physical vapor deposition to produce thin films of five common energetic materials, and the contact angle measurement approach is applied to estimate the cohesive Hamakermore » constants and surface energy components of the materials. The cohesive Hamaker constants range from 85 zJ to 135 zJ across the different films. When these Hamaker constants are compared to prior work using Lifshitz theory and nonpolar probe IGC, the relative magnitudes can be ordered as follows: contact angle > Lifshitz > IGC. Furthermore, the dispersive surface energy components estimated here are in good agreement with those estimated by IGC. Due to these results, researchers and technologists will now have access to a comprehensive database of adhesion constants which describe the behavior of these energetic materials over a range of settings.« less

Comparisons of Hamaker constants for ceramic systems with intervening vacuum or water: From force laws and physical properties

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

Ackler, H.D.; Chiang, Y.M.; French, R.H.

1996-05-10

Van der Waals dispersive forces produce attractive interactions between bodies, playing an important role in many material systems influencing colloidal and emulsion stability, wetting behavior, and intergranular forces in glass-ceramic systems. It is of technological importance to accurately quantify these interactions, conveniently represented by the Hamaker constant, A. To set the current level of accuracy for determining A, they were calculated from Lifshitz theory using full spectral data for muscovite mica, Al{sub 2}O{sub 3}, SiO{sub 2}, Si{sub 3}N{sub 4}, and rutile TiO{sub 2}, separated by vacuum or water. These were compared to Hamaker constants calculated from physical properties using themore » Tabor-Winterton approximation, a single oscillator model, a multiple oscillator model, and A`s calculated using force vs separation data from surface force apparatus and atomic force microscope studies. For materials with refractive indices between 1.4 and 1.8 separated by vacuum, all methods produce similar values, but for indices larger than 1.8 separated by vacuum, and any of these materials separated by water, results span a broader range. The present level of accuracy for the determination of Hamaker constants, here taken to be represented by the level of agreement between various methods, ranges from about 10% for the case of SiO{sub 2}/vacuum/SiO{sub 2} and TiO{sub 2}/water/TiO{sub 2} to a factor of approximately 7 for mica/water/mica.« less

Substrate Dependence in the Growth of Three-Dimensional Gold Nanoparticle Superlattices

DTIC Science & Technology

2001-11-01

the Hamaker constants between gold nanoparticle assemblies and substrates through the suspension. Van der Waals interactions estimated from this...finally dialyzed to remove inorganic (Na, Cl, and B) and organic impurities. The surfactant affects the dispersion of Au nanoparticles in aqueous...be taken into account for complete understanding of the observed substrate dependency. To consider volume interactions, we calculate the Hamaker

Measurements of dispersion forces between colloidal latex particles with the atomic force microscope and comparison with Lifshitz theory

NASA Astrophysics Data System (ADS)

Elzbieciak-Wodka, Magdalena; Popescu, Mihail N.; Ruiz-Cabello, F. Javier Montes; Trefalt, Gregor; Maroni, Plinio; Borkovec, Michal

2014-03-01

Interaction forces between carboxylate colloidal latex particles of about 2 μm in diameter immersed in aqueous solutions of monovalent salts were measured with the colloidal probe technique, which is based on the atomic force microscope. We have systematically varied the ionic strength, the type of salt, and also the surface charge densities of the particles through changes in the solution pH. Based on these measurements, we have accurately measured the dispersion forces acting between the particles and estimated the apparent Hamaker constant to be (2.0 ± 0.5) × 10-21 J at a separation distance of about 10 nm. This value is basically independent of the salt concentration and the type of salt. Good agreement with Lifshitz theory is found when roughness effects are taken into account. The combination of retardation and roughness effects reduces the value of the apparent Hamaker constant and its ionic strength dependence with respect to the case of ideally smooth surfaces.

Measurements of dispersion forces between colloidal latex particles with the atomic force microscope and comparison with Lifshitz theory.

PubMed

Elzbieciak-Wodka, Magdalena; Popescu, Mihail N; Montes Ruiz-Cabello, F Javier; Trefalt, Gregor; Maroni, Plinio; Borkovec, Michal

2014-03-14

Interaction forces between carboxylate colloidal latex particles of about 2 μm in diameter immersed in aqueous solutions of monovalent salts were measured with the colloidal probe technique, which is based on the atomic force microscope. We have systematically varied the ionic strength, the type of salt, and also the surface charge densities of the particles through changes in the solution pH. Based on these measurements, we have accurately measured the dispersion forces acting between the particles and estimated the apparent Hamaker constant to be (2.0 ± 0.5) × 10(-21) J at a separation distance of about 10 nm. This value is basically independent of the salt concentration and the type of salt. Good agreement with Lifshitz theory is found when roughness effects are taken into account. The combination of retardation and roughness effects reduces the value of the apparent Hamaker constant and its ionic strength dependence with respect to the case of ideally smooth surfaces.

Evaluation of Hamaker coefficients using Diffusion Monte Carlo method

NASA Astrophysics Data System (ADS)

Maezono, Ryo; Hongo, Kenta

We evaluated the Hamaker's constant for Cyclohexasilane to investigate its wettability, which is used as an ink of 'liquid silicon' in 'printed electronics'. Taking three representative geometries of the dimer coalescence (parallel, lined, and T-shaped), we evaluated these binding curves using diffusion Monte Carlo method. The parallel geometry gave the most long-ranged exponent, ~ 1 /r6 , in its asymptotic behavior. Evaluated binding lengths are fairly consistent with the experimental density of the molecule. The fitting of the asymptotic curve gave an estimation of Hamaker's constant being around 100 [zJ]. We also performed a CCSD(T) evaluation and got almost similar result. To check its justification, we applied the same scheme to Benzene and compared the estimation with those by other established methods, Lifshitz theory and SAPT (Symmetry-adopted perturbation theory). The result by the fitting scheme turned to be twice larger than those by Lifshitz and SAPT, both of which coincide with each other. It is hence implied that the present evaluation for Cyclohexasilane would be overestimated.

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.

Measurements of dispersion forces between colloidal latex particles with the atomic force microscope and comparison with Lifshitz theory

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

Elzbieciak-Wodka, Magdalena; Ruiz-Cabello, F. Javier Montes; Trefalt, Gregor

2014-03-14

Interaction forces between carboxylate colloidal latex particles of about 2 μm in diameter immersed in aqueous solutions of monovalent salts were measured with the colloidal probe technique, which is based on the atomic force microscope. We have systematically varied the ionic strength, the type of salt, and also the surface charge densities of the particles through changes in the solution pH. Based on these measurements, we have accurately measured the dispersion forces acting between the particles and estimated the apparent Hamaker constant to be (2.0 ± 0.5) × 10{sup −21} J at a separation distance of about 10 nm. Thismore » value is basically independent of the salt concentration and the type of salt. Good agreement with Lifshitz theory is found when roughness effects are taken into account. The combination of retardation and roughness effects reduces the value of the apparent Hamaker constant and its ionic strength dependence with respect to the case of ideally smooth surfaces.« less

High-Temperature Ceramic Superconductors

DTIC Science & Technology

1990-01-10

the solution was stable for several weeks. 3-1 Barium 2-(2-ethoxyethoxy)ethoxide was prepared by reaction of barium metal granules (Alfa inorganics ...1977). 3. Ottewill, R. H., "Stability and Instability in Disperse Systems," J. Colloid Interface Sci., 58, 357-373 (1977). 4. Hamaker , H. C., Physics...given by (Ref. 4) A / 2 2 2a2 r2 +a\\ r + n 2 ) (2) A-i where A, the Hamaker constant, depends on the properties of the parti- cles and the

Roles of additives and surface control in slurry atomization

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

Tsai, S.C.

1990-03-01

This quarterly report describes a quantitative correlation between the flow behavior index of a micronized coal slurry and the interparticular van der Waals attraction force as measured by the Hamaker constant. Preliminary results on the effects of interparticular electrostatic repulsion and the liquid viscosity on both the flow behavior and the relative viscosity are also presented.

Diffusion Monte Carlo method for evaluating Hamaker constants

NASA Astrophysics Data System (ADS)

Maezono, Ryo; Hongo, Kenta

We evaluated Hamaker's constants for Si6H12 (CHS) to investigate its wettability, which is industrially useful but no references available. The constant is fundamental for wettability, but not directly accessible by experiments. Ab initio estimations are therefore in demand, and surely give an impact for broader fields such as tribology where the wettability plays an important role. The evaluation of binding curves itself could be a big challenge if it is applied to a practical molecule such as CHS, because highly accurate descriptions of electron correlations in vdW bindings get tough for such larger sizes with anisotropy. We applied DMC to overcome this difficulty, showing a new direction for wettability issues. Since ab intio estimations rely on simple assumptions such as additivity (and hence we denote it as Aadd), it would include biases. Taking a benzene as a benchmark, we compared Aadd evaluated from several available binding curves with other reported AL (estimations based on Lifshitz theory). By the comparison, we get trends of biases in Aa dd due to non-additivity and anisotropy because AL is expected to capture these effects to some extent in macroscopic manner. The expected trends here surprisingly well explain the series of results for CHS.

A Computational Scheme To Evaluate Hamaker Constants of Molecules with Practical Size and Anisotropy.

PubMed

Hongo, Kenta; Maezono, Ryo

2017-11-14

We propose a computational scheme to evaluate Hamaker constants, A, of molecules with practical sizes and anisotropies. Upon the increasing feasibility of diffusion Monte Carlo (DMC) methods to evaluate binding curves for such molecules to extract the constants, we discussed how to treat the averaging over anisotropy and how to correct the bias due to the nonadditivity. We have developed a computational procedure for dealing with the anisotropy and reducing statistical errors and biases in DMC evaluations, based on possible validations on predicted A. We applied the scheme to cyclohexasilane molecule, Si 6 H 12 , used in "printed electronics" fabrications, getting A ≈ 105 ± 2 zJ, being in plausible range supported even by other possible extrapolations. The scheme provided here would open a way to use handy ab initio evaluations to predict wettabilities as in the form of materials informatics over broader molecules.

Microstructure, mixing rules and interfacial behavior in high k barium titanate epoxy composite

NASA Astrophysics Data System (ADS)

Shi, Yitong (Thomas)

2001-07-01

In this thesis, we have demonstrated the importance of two issues in BaTiO3/epoxy composites. They are (1) the miscibility of a particle blend in organic vehicle, i.e. the capability of particles with different particle sizes to mix at the particle level, and (2) the ceramic/polymer interface as a role in determining the effective dielectric constant. The epoxy matrix between the BaTiO3 particles is not homogeneous and has to be modeled as a two-layer structure. The inhomogeneity causes not only failure of the existing mixing rules but also the particle size dependence of the effective dielectric constant. Since the interfacial behavior is determined by the materials chemistry, the effective dielectric properties experimentally demonstrate strong dependence on the materials selection and processing. If BaTiO3 particles in liquid epoxy resin has a bimodal particle size distribution, the smaller particles do not experimentally fit into the interstitial spaces between the larger spheres in an organic vehicle. ESEM observations indicated that the large particles separated from the small ones. Depending on the paste formula, the particle separation led to either a layer-like or cluster-like microstructure. The mixing free energy of blending smaller particles with larger particles explains the observed phenomena and suggests general criteria for particle miscibility. Whenever the mixing free energy is negative and the mixing free energy curve is convex, the particle blend remains in a random particle distribution. Otherwise, the particles separate into a larger-particle rich "phase" and a smaller-particle rich "phase". A random particle distribution may be the largest degree of mixing we can achieve in an organic vehicle. If there is no specific interaction between the small particles and the large particles, there is no thermodynamic driving force for small particles to fill preferentially into the interstitial spaces between the large spheres. The Hamaker constant H significantly influences the miscibility of a particle blend. An increase in Hamaker constant H causes not only greater driving force for a particle blend to separate but also a more narrowed convex shape---the mixing window. At a specific composition, a particle blend separates in one vehicle but may remain in a random distribution in another vehicle if the later vehicle has significantly reduced the Hamaker constant H.

Determination of the attractive force, adhesive force, adhesion energy and Hamaker constant of soot particles generated from a premixed methane/oxygen flame by AFM

NASA Astrophysics Data System (ADS)

Liu, Ye; Song, Chonglin; Lv, Gang; Chen, Nan; Zhou, Hua; Jing, Xiaojun

2018-03-01

Atomic force microscopy (AFM) was used to characterize the attractive force, adhesive force and adhesion energy between an AFM probe tip and nanometric soot particle generated by a premixed methane/oxygen flame. Different attractive force distributions were found when increasing the height above burner (HAB), with forces ranging from 1.1-3.5 nN. As the HAB was increased, the average attractive force initially increased, briefly decreased, and then underwent a gradual increase, with a maximum of 2.54 nN observed at HAB = 25 mm. The mean adhesive force was 6.5-7.5 times greater than the mean attractive force at the same HAB, and values were in the range of 13.5-24.5 nN. The adhesion energy was in the range of 2.0-5.6 × 10-17 J. The variations observed in the average adhesion energy with increasing HAB were different from those of the average adhesion force, implying that the stretched length of soot particles is an important factor affecting the average adhesion energy. The Hamaker constants of the soot particles generated at different HABs were determined from AFM force-separation curves. The average Hamaker constant exhibited a clear correlation with the graphitization degree of soot particles as obtained from Raman spectroscopy.

Roles of additives and surface control in slurry atomization

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

Tsai, S.C.

1990-03-01

This quartery report describes a quantitative correlation between the flow behavior index of a micronized coal slurry and the interparticular van der Waals attraction force a measured by the Hamaker constant. Preliminary results on the effects of interparticular electrostatic repulsion and the liquid viscosity on both the flow behavior and the relative viscosity are also presented. 4 refs., 2 figs., 1 tab.

Roles of additives and surface control in slurry atomization. Quarterly report, April 5, 1990

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

Tsai, S.C.

1990-03-01

This quarterly report describes a quantitative correlation between the flow behavior index of a micronized coal slurry and the interparticular van der Waals attraction force as measured by the Hamaker constant. Preliminary results on the effects of interparticular electrostatic repulsion and the liquid viscosity on both the flow behavior and the relative viscosity are also presented.

Effects of hierarchical structures and insulating liquid media on adhesion

NASA Astrophysics Data System (ADS)

Yang, Weixu; Wang, Xiaoli; Li, Hanqing; Song, Xintao

2017-11-01

Effects of hierarchical structures and insulating liquid media on adhesion are investigated through a numerical adhesive contact model established in this paper, in which hierarchical structures are considered by introducing the height distribution into the surface gap equation, and media are taken into account through the Hamaker constant in Lifshitz-Hamaker approach. Computational methods such as inexact Newton method, bi-conjugate stabilized (Bi-CGSTAB) method and fast Fourier transform (FFT) technique are employed to obtain the adhesive force. It is shown that hierarchical structured surface exhibits excellent anti-adhesive properties compared with flat, micro or nano structured surfaces. Adhesion force is more dependent on the sizes of nanostructures than those of microstructures, and the optimal ranges of nanostructure pitch and maximum height for small adhesion force are presented. Insulating liquid media effectively decrease the adhesive interaction and 1-bromonaphthalene exhibits the smallest adhesion force among the five selected media. In addition, effects of hierarchical structures with optimal sizes on reducing adhesion are more obvious than those of the selected insulating liquid media.

On possible microscopic origins of the swelling of neutral lipid bilayers induced by simple salts.

PubMed

Manciu, Marian; Ruckenstein, Eli

2007-05-01

It was recently suggested that the swelling of neutral multilipid bilayers upon addition of a salt can be simply explained only by the electrolyte screening of the van der Waals attractions, while assuming that the hydration force and the repulsion due to thermal undulations of membranes are unaffected by the salt. While we agree that the screening of the van der Waals interactions plays a role, we suggest that the increase in the hydration force upon addition of a salt has also to be taken into account. In a statistical model, which accounts for the membrane undulations, parameters could be found to explain the multibilayer swelling even when the van der Waals attraction is considered unaffected by the electrolyte screening. These results point out that the decrease by a factor of three of the Hamaker constant upon addition of a salt, suggested recently to be responsible for the swelling of neutral multilipid bilayers, is perhaps too large, and a smaller decrease in Hamaker constant, coupled with the above mentioned effects might explain the swelling.

Deposition kinetics of colloidal particles at high ionic strengths

NASA Astrophysics Data System (ADS)

Cejas, Cesare; Monti, Fabrice; Truchet, Marine; Burnouf, Jean-Pierre; Tabeling, Patrick

Using microfluidic experiments, we describe the deposition of a fluid suspension of weakly brownian particles transported in a straight channel at small Reynolds numbers under conditions of high ionic strengths. Our studies fall in a regime where electrostatic interactions are neglected and particle-wall van der Waals interactions govern the deposition mechanism on channel walls. We calculate the deposition kinetics analytically for a wide range of physical parameters. We find that the theory agrees with numerical Langevin simulations, which both confirm the experimental results. From this analysis, we demonstrate a universal dimensionless deposition function described by contributions from advection-diffusion transport and adhesion interactions (Hamaker constant). Results show that we accurately confirm the theoretical expression for the deposition kinetics. From a surface science perspective, working in the van der Waals regime enables to measure the Hamaker constant, a task that would take much longer to perform with the standard AFM. Funding from Sanofi Recherche and ESPCI.

Evaluation of dispersion interaction in glyoxal/silica organomineral system

NASA Astrophysics Data System (ADS)

Sokolova, Y. V.; Ayzenshtadt, A. M.; Strokova, V. V.

2017-11-01

It is proposed to use an organomineral additive based on glyoxal and saponite-containing waste in order to stabilize the road base. Preliminary studies have shown that soil modification with the organomineral additive with a quantitative ratio of components of glyoxal - 0.52 % and saponite-containing material - 17 % of sand mass increases its specific cohesion by 50 times. However, it is necessary to study the mechanism of interaction between the additive components and soil to optimize the composition and technology of additive introduction into the soil. This paper examines dispersion interaction in glyoxal/silica organomineral system. The Hamaker constant was chosen as a main parameter to evaluate dispersion interaction. This constant is determined based on the principle of measuring the contact angle of wetting with service fluids and calculating the dispersion component of material surface tension. The Hamaker constant in the glyoxal/silica organomineral system was 0.25·10-20 - 2.8·10-20 J at different glyoxal contents, while its maximum value was observed at 0.52 % glyoxal content. The results compared with literature and previously obtained data demonstrated good reproducibility.

Direct determination of the local Hamaker constant of inorganic surfaces based on scanning force microscopy

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

Krajina, Brad A.; Kocherlakota, Lakshmi S.; Overney, René M., E-mail: roverney@u.washington.edu

The energetics involved in the bonding fluctuations between nanometer-sized silicon dioxide (SiO{sub 2}) probes and highly oriented pyrolytic graphite (HOPG) and molybdenum disulfide (MoS{sub 2}) could be quantified directly and locally on the submicron scale via a time-temperature superposition analysis of the lateral forces between scanning force microscopy silicon dioxide probes and inorganic sample surfaces. The so-called “intrinsic friction analysis” (IFA) provided direct access to the Hamaker constants for HOPG and MoS{sub 2}, as well as the control sample, calcium fluoride (CaF{sub 2}). The use of scanning probe enables nanoscopic analysis of bonding fluctuations, thereby overcoming challenges associated with largermore » scale inhomogeneity and surface roughness common to conventional techniques used to determine surface free energies and dielectric properties. A complementary numerical analysis based on optical and electron energy loss spectroscopy and the Lifshitz quantum electrodynamic theory of van der Waals interactions is provided and confirms quantitatively the IFA results.« less

Direct determination of the local Hamaker constant of inorganic surfaces based on scanning force microscopy

NASA Astrophysics Data System (ADS)

Krajina, Brad A.; Kocherlakota, Lakshmi S.; Overney, René M.

2014-10-01

The energetics involved in the bonding fluctuations between nanometer-sized silicon dioxide (SiO2) probes and highly oriented pyrolytic graphite (HOPG) and molybdenum disulfide (MoS2) could be quantified directly and locally on the submicron scale via a time-temperature superposition analysis of the lateral forces between scanning force microscopy silicon dioxide probes and inorganic sample surfaces. The so-called "intrinsic friction analysis" (IFA) provided direct access to the Hamaker constants for HOPG and MoS2, as well as the control sample, calcium fluoride (CaF2). The use of scanning probe enables nanoscopic analysis of bonding fluctuations, thereby overcoming challenges associated with larger scale inhomogeneity and surface roughness common to conventional techniques used to determine surface free energies and dielectric properties. A complementary numerical analysis based on optical and electron energy loss spectroscopy and the Lifshitz quantum electrodynamic theory of van der Waals interactions is provided and confirms quantitatively the IFA results.

Direct determination of the local Hamaker constant of inorganic surfaces based on scanning force microscopy.

PubMed

Krajina, Brad A; Kocherlakota, Lakshmi S; Overney, René M

2014-10-28

The energetics involved in the bonding fluctuations between nanometer-sized silicon dioxide (SiO2) probes and highly oriented pyrolytic graphite (HOPG) and molybdenum disulfide (MoS2) could be quantified directly and locally on the submicron scale via a time-temperature superposition analysis of the lateral forces between scanning force microscopy silicon dioxide probes and inorganic sample surfaces. The so-called "intrinsic friction analysis" (IFA) provided direct access to the Hamaker constants for HOPG and MoS2, as well as the control sample, calcium fluoride (CaF2). The use of scanning probe enables nanoscopic analysis of bonding fluctuations, thereby overcoming challenges associated with larger scale inhomogeneity and surface roughness common to conventional techniques used to determine surface free energies and dielectric properties. A complementary numerical analysis based on optical and electron energy loss spectroscopy and the Lifshitz quantum electrodynamic theory of van der Waals interactions is provided and confirms quantitatively the IFA results.

Meeting in New Orleans: An Assessment of the Fate of Metal Oxide Nanomaterials in Porous Media

EPA Science Inventory

This work assesses potential aqueous environmental metal oxide nanomaterial self-aggregation through the application of recent developments in surface complexation theory with historical DLVO procedures. Findings include: 1) nanomaterials with a Hamaker constant as large as 1E-1...

Silver Colloids in Bacteria: A Study by Transmission Electron Microscopy, Absorption Spectroscopy and Elemental Analysis

DTIC Science & Technology

2002-07-01

study concentrates on other available techniques to elucidate the association of the inorganic colloids and the bacterial components in order to further...the treated bacteria. This is consistent with the strong attraction expected between the silvered cells (with a large Hamaker constant) and their

Capillary Contact Angle in a Completely Wet Groove

NASA Astrophysics Data System (ADS)

Parry, A. O.; Malijevský, A.; Rascón, C.

2014-10-01

We consider the phase equilibria of a fluid confined in a deep capillary groove of width L with identical side walls and a bottom made of a different material. All walls are completely wet by the liquid. Using density functional theory and interfacial models, we show that the meniscus separating liquid and gas phases at two phase capillary coexistence meets the bottom capped end of the groove at a capillary contact angle θcap(L) which depends on the difference between the Hamaker constants. If the bottom wall has a weaker wall-fluid attraction than the side walls, then θcap>0 even though all the isolated walls are themselves completely wet. This alters the capillary condensation transition which is now first order; this would be continuous in a capped capillary made wholly of either type of material. We show that the capillary contact angle θcap(L) vanishes in two limits, corresponding to different capillary wetting transitions. These occur as the width (i) becomes macroscopically large, and (ii) is reduced to a microscopic value determined by the difference in Hamaker constants. This second wetting transition is characterized by large scale fluctuations and essential critical singularities arising from marginal interfacial interactions.

Interactions of lysozyme in concentrated electrolyte solutions from dynamic light-scattering measurements.

PubMed Central

Kuehner, D E; Heyer, C; Rämsch, C; Fornefeld, U M; Blanch, H W; Prausnitz, J M

1997-01-01

The diffusion of hen egg-white lysozyme has been studied by dynamic light scattering in aqueous solutions of ammonium sulfate as a function of protein concentration to 30 g/liter. Experiments were conducted under the following conditions: pH 4-7 and ionic strength 0.05-5.0 M. Diffusivity data for ionic strengths up to 0.5 M were interpreted in the context of a two-body interaction model for monomers. From this analysis, two potential-of-mean-force parameters, the effective monomer charge, and the Hamaker constant were obtained. At higher ionic strength, the data were analyzed using a model that describes the diffusion coefficient of a polydisperse system of interacting protein aggregates in terms of an isodesmic, indefinite aggregation equilibrium constant. Data analysis incorporated multicomponent virial and hydrodynamic effects. The resulting equilibrium constants indicate that lysozyme does not aggregate significantly as ionic strength increases, even at salt concentrations near the point of salting-out precipitation. PMID:9414232

Effect of glycerol and dimethyl sulfoxide on the phase behavior of lysozyme: Theory and experiments

NASA Astrophysics Data System (ADS)

Gögelein, Christoph; Wagner, Dana; Cardinaux, Frédéric; Nägele, Gerhard; Egelhaaf, Stefan U.

2012-01-01

Salt, glycerol, and dimethyl sulfoxide (DMSO) are used to modify the properties of protein solutions. We experimentally determined the effect of these additives on the phase behavior of lysozyme solutions. Upon the addition of glycerol and DMSO, the fluid-solid transition and the gas-liquid coexistence curve (binodal) shift to lower temperatures and the gap between them increases. The experimentally observed trends are consistent with our theoretical predictions based on the thermodynamic perturbation theory and the Derjaguin-Landau-Verwey-Overbeek model for the lysozyme-lysozyme pair interactions. The values of the parameters describing the interactions, namely the refractive indices, dielectric constants, Hamaker constant and cut-off length, are extracted from literature or are experimentally determined by independent experiments, including static light scattering, to determine the second virial coefficient. We observe that both, glycerol and DMSO, render the potential more repulsive, while sodium chloride reduces the repulsion.

The effect of PECVD plasma decomposition on the wettability and dielectric constant changes in silicon modified DLC films for potential MEMS and low stiction applications

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

Ogwu, A. A.; Okpalugo, T. I. T.; Nanotechnology Institute, School of Electrical and Mechanical Engineering, University of Ulster, Northern Ireland

We have carried out investigations aimed at understanding the mechanism responsible for a water contact angle increase of up to ten degrees and a decrease in dielectric constant in silicon modified hydrogenated amorphous carbon films compared to unmodified hydrogenated amorphous carbon films. Our investigations based on surface chemical constituent analysis using Raman spectroscopy, x-ray photoelectron spectroscopy (XPS), SIMS, FTIR, contact angle / surface energy measurements and spectroscopic ellipsometry suggests the presence of hydrophobic chemical entities on the surface of the films. This observation is consistent with earlier theoretical plasma chemistry predictions and observed Raman peak shifts in the films. Thesemore » surface hydrophobic entities also have a lower polarizability than the bonds in the un-modified films thereby reducing the dielectric constant of the silicon modified films measured by spectroscopic ellipsometry. Ellipsometric dielectric constant measurement is directly related to the surface energy through Hamaker's constant. Our current finding is expected to be of benefit to understanding stiction, friction and lubrication in areas that range from nano-tribology to microfluidics.« less

The effect of PECVD plasma decomposition on the wettability and dielectric constant changes in silicon modified DLC films for potential MEMS and low stiction applications

NASA Astrophysics Data System (ADS)

Ogwu, A. A.; Okpalugo, T. I. T.; McLaughlin, J. A. D.

2012-09-01

We have carried out investigations aimed at understanding the mechanism responsible for a water contact angle increase of up to ten degrees and a decrease in dielectric constant in silicon modified hydrogenated amorphous carbon films compared to unmodified hydrogenated amorphous carbon films. Our investigations based on surface chemical constituent analysis using Raman spectroscopy, x-ray photoelectron spectroscopy (XPS), SIMS, FTIR, contact angle / surface energy measurements and spectroscopic ellipsometry suggests the presence of hydrophobic chemical entities on the surface of the films. This observation is consistent with earlier theoretical plasma chemistry predictions and observed Raman peak shifts in the films. These surface hydrophobic entities also have a lower polarizability than the bonds in the un-modified films thereby reducing the dielectric constant of the silicon modified films measured by spectroscopic ellipsometry. Ellipsometric dielectric constant measurement is directly related to the surface energy through Hamaker's constant. Our current finding is expected to be of benefit to understanding stiction, friction and lubrication in areas that range from nano-tribology to microfluidics.

Size-Resolved Ultrafine Particle Deposition and Brownian Coagulation from Gasoline Vehicle Exhaust in an Environmental Test Chamber.

PubMed

Zhao, Yu; Wang, Fang; Zhao, Jianing

2015-10-20

Size-resolved deposition rates and Brownian coagulation of particles between 20 and 900 nm (mobility diameter) were estimated in a well-mixed environmental chamber from a gasoline vehicle exhaust with a total peak particle concentration of 10(5)-10(6) particles/cm(3) at 12.24-25.22 °C. A deposition theory with modified friction velocity and coagulation model was also employed to predict particle concentration decay. Initially during particle decay, approximately 85% or more of the particles had diameters of <100 nm. Particle deposition rates with standard deviations were highly dependent on particle size ranges, and varied from 0.012 ± 0.003 to 0.48 ± 0.02 h(-1). In the experiment, the friction velocity obtained was in the range 1.5-2.5 cm/s. The most explainable fractal dimension and Hamaker constant in coagulation model were 2.5-3 and 20 kT, respectively, and the contribution from coagulation dominated the total particle decay during the first 1 h of decay. It is considered that the modified friction velocity and best fitted fractal dimension and Hamaker constants could be further used to analyze gasoline vehicle exhaust particle dynamics and assess human exposure to vehicle particle pollutants in urban areas, tunnels, and underground parking lots.

Rapid quantitative chemical mapping of surfaces with sub-2 nm resolution

NASA Astrophysics Data System (ADS)

Lai, Chia-Yun; Perri, Saverio; Santos, Sergio; Garcia, Ricardo; Chiesa, Matteo

2016-05-01

We present a theory that exploits four observables in bimodal atomic force microscopy to produce maps of the Hamaker constant H. The quantitative H maps may be employed by the broader community to directly interpret the high resolution of standard bimodal AFM images as chemical maps while simultaneously quantifying chemistry in the non-contact regime. We further provide a simple methodology to optimize a range of operational parameters for which H is in the closest agreement with the Lifshitz theory in order to (1) simplify data acquisition and (2) generalize the methodology to any set of cantilever-sample systems.We present a theory that exploits four observables in bimodal atomic force microscopy to produce maps of the Hamaker constant H. The quantitative H maps may be employed by the broader community to directly interpret the high resolution of standard bimodal AFM images as chemical maps while simultaneously quantifying chemistry in the non-contact regime. We further provide a simple methodology to optimize a range of operational parameters for which H is in the closest agreement with the Lifshitz theory in order to (1) simplify data acquisition and (2) generalize the methodology to any set of cantilever-sample systems. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr00496b

The kinetic friction of ZnO nanowires on amorphous SiO2 and SiN substrates

NASA Astrophysics Data System (ADS)

Roy, Aditi; Xie, Hongtao; Wang, Shiliang; Huang, Han

2016-12-01

ZnO nanowires were bent on amorphous SiO2 and SiN substrates in an ambient atmosphere using optical nanomanipulation. The kinetic friction between the nanowires and substrate was determined from the bent shape of the nanowires. The kinetic friction force per unit area, i.e. frictional shear stress, for the ZnO/SiO2 and ZnO/SiN nanowire/substrate systems being measured were 1.05 ± 0.28 and 2.08 ± 0.33 MPa, respectively. The surface roughness and the Hamaker constant of SiO2 and SiN substrates had significant effect on the frictional stresses.

An interatomic pair potential for cadmium selenide

NASA Astrophysics Data System (ADS)

Rabani, Eran

2002-01-01

We have developed a set of interatomic pair potentials for cadmium selenide based on a form similar to the Born-Mayer model. We show that this simple form of the pair potential, which has been used to describe the properties of alkali halides in the sixfold-coordinate structure, provides a realistic description of the properties of cadmium selenide in all three crystal structures: wurtzite, zinc blende, and rocksalt. Using the new pair potential we have studied the pressure-induced phase transition from the fourfold-coordinate wurtzite structure to the sixfold-coordinate rocksalt structure. The pressure transformation and the equation of state are in good agreement with experimental observations. Using the dispersion term in our pair potential we have also calculated the Hamaker constant for cadmium selenide within the framework of the original microscopic approach due to Hamaker. The results indicate that for ionic materials many-body terms that are included in the Lifshitz theory are well captured by the simple pair potential.

Particle interaction and rheological behavior of cement-based materials at micro- and macro-scales

NASA Astrophysics Data System (ADS)

Lomboy, Gilson Rescober

Rheology of cement based materials is controlled by the interactions at the particle level. The present study investigates the particle interactions and rheological properties of cement-based materials in the micro- and macro-scales. The cementitious materials studied are Portland cement (PC), fly ash (FA), ground granulated blast furnace slag (GGBFS) and densified silica fume (SF). At the micro-scale, aside from the forces on particles due to collisions, interactions of particles in a flowing system include the adhesion and friction. Adhesion is due to the attraction between materials and friction depends on the properties of the sliding surfaces. Atomic Force Microscopy (AFM) is used to measure the adhesion force and coefficient of friction. The adhesion force is measured by pull-off force measurements and is used to calculate Hamaker constants. The coefficient of friction is measured by increasing the deflection set-points on AFM probes with sliding particles, thereby increasing normal loads and friction force. AFM probes were commercial Si3N4 tips and cementitious particles attached to the tips of probe cantilevers. SF was not included in the micro-scale tests due to its limiting size when attaching it to the AFM probes. Other materials included in the tests were silica, calcite and mica, which were used for verification of the developed test method for the adhesion study. The AFM experiments were conducted in dry air and fluid environments at pH levels of 7, 8, 9, 11 and 13. The results in dry air indicate that the Hamaker constant of Class F FA can be similar to PC, but Class C FA can have a high Hamaker constant, also when in contact with other cementitious materials. The results in fluid environments showed low Hamaker constants for Class F fly ashes compared to PC and also showed high Hamaker constants for PC and Class C fly ash. The results for the friction test in dry air indicated that the coefficient of friction of PC is lower than fly ashes, which is attributed to the asperities present on the particle surface. At the macro-scale, flow of cementitious materials may be in its dry or wet state, during transport and handling or when it is used in concrete mixtures, respectively. Hence, the behavior of bulk cementitious materials in their dry state and wet form are studied. In the dry state, the compression, recompression and swell indices, and stiffness modulus of plain and blended cementitious materials are determined by confined uniaxial compression. The coefficients of friction of the bulk materials studied are determined by a direct shear test. The results indicate that shape of particles has a great influence on the compression and shear parameters. The indices for PC blends with FA do not change with FA replacement, while it increases with GGBFS replacement. Replacement with GGBFS slightly decreases coefficient of friction, while replacement with FA significantly decreases coefficient of friction. At low SF replacement, coefficient of friction decreases. In wet state, unary, binary, ternary and quaternary mixes with w/b of 0.35, 0.45 and 0.55 were tested for yield stress, viscosity and thixotropy. It is found that fly ash replacement lowers the rheological properties and replacement with GGBFS and SF increases rheological properties. The distinct element method (DEM) was employed to model particle interaction and bulk behavior. The AFM force curve measurement is simulated to validate the adhesion model in the DEM. The contact due to asperities was incorporated by considering the asperities as a percentage of the radius of the contacting particles. The results of the simulation matches the force-curve obtained from actual AFM experiments. The confined uniaxial compression test is simulated to verify the use of DEM to relate micro-scale properties to macros-scale behavior. The bulk stiffness from the physical experiments is matched in the DEM simulation. The particle stiffness and coefficient of friction are found to have a direct relation to bulk stiffness.

Van der Waals interaction mediated by an optically uniaxial layer

NASA Astrophysics Data System (ADS)

Šarlah, A.; Žumer, S.

2001-11-01

We study the van der Waals interaction between macroscopic bodies separated by a thin anisotropic film with a uniaxial permittivity tensor. We describe the effect of anisotropy of the media on the magnitude and sign of the interaction. The resulting differences in the van der Waals interaction are especially important for the stability of strongly confined liquid crystals, and nanostructures characterized by highly uniaxial macroscopic molecular arrangement, such as in self-assemblies of long organic molecules forming films, membranes, colloids, etc. We introduce an improved expression for the Hamaker constant which takes into account the uniaxial symmetry of a medium. In special cases neglecting the optical anisotropy even leads to an incorrect sign of the interaction.

Apparent dynamic contact angle of an advancing gas--liquid meniscus

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

Kalliadasis, S.; Chang, H.

1994-01-01

The steady motion of an advancing meniscus in a gas-filled capillary tube involves a delicate balance of capillary, viscous, and intermolecular forces. The limit of small capillary numbers Ca (dimensionless speeds) is analyzed here with a matched asymptotic analysis that links the outer capillary region to the precursor film in front of the meniscus through a lubricating film. The meniscus shape in the outer region is constructed and the apparent dynamic contact angle [Theta] that the meniscus forms with the solid surface is derived as a function of the capillary number, the capillary radius, and the Hamaker's constant for intermolecularmore » forces, under conditions of weak gas--solid interaction, which lead to fast spreading of the precursor film and weak intermolecular forces relative to viscous forces within the lubricating film. The dependence on intermolecular forces is very weak and the contact angle expression has a tight upper bound tan [Theta]=7.48 Ca[sup 1/3] for thick films, which is independent of the Hamaker constant. This upper bound is in very good agreement with existing experimental data for wetting fluids in any capillary and for partially wetting fluids in a prewetted capillary. Significant correction to the Ca[sup 1/3] dependence occurs only at very low Ca, where the intermolecular forces become more important and tan [Theta] diverges slightly from the above asymptotic behavior toward lower values.« less

Thin Film Evaporation Model with Retarded Van Der Waals Interaction (Postprint)

DTIC Science & Technology

2013-11-01

Waals interaction. The retarded van der Waals interaction is derived from Hamaker theory, the summation of retarded pair potentials for all molecules...interaction is derived from Hamaker theory, the summation of retarded pair potentials for all molecules for a given geometry. When combined, the governing...interaction force is the negative derivative with respect to distance of the interaction energy. The method due to Hamaker essentially sums all pair

US Air Force 1989 Research Initiation Program. Volume 2.

DTIC Science & Technology

1992-06-25

University of Minnesota-Duluth Specialtv: Inorganic Chemistry Specialty: Mechanics Dr. Satish Chandra Mr. Asad Yousuf Kansas State University Savannah...the Study Van der Waals forces in capillary tubes have previously been calculated by Philip (1977b]. His study was based on the Hamaker theory, which...important in condensed media, are not taken into account by the Hamaker theory. Calculations using on the Hamaker theory are often based on an unrealistic

A New Method for Determining Hamaker Constants of Solids Based on the Dynamic Approach Behavior of an Atomic Force Microscope

NASA Astrophysics Data System (ADS)

Fronczak, Sean G.

The Hamaker constant, A, is a quantitative measure of the fundamental attractive van der Waals (vdW) interaction for microscale and nanoscale materials. This parameter captures each material's compositional effects on the vdW force, which is often needed as input for predicting the vdW interactions between particles and surfaces. Experimental attempts to determine A using an atomic force microscope (AFM) are typically hindered by issues inherent to the cantilever-tip-surface contact regime, such as surface roughness and deformation, and contact separation distance. Thus, we developed a new method for estimating Hamaker constants from the non-contact approach regime of an AFM experiment (Fronczak et al., 2017, Langmuir 33, 714-725). This method invokes a quasi-dynamic description of the cantilever tip's approach to contact, in which the inertial effects of the tip motion are accounted for when analyzing the trajectory of the tip's approach towards the substrate. The method was tested experimentally using silica, alumina and polystyrene substrates, and was demonstrated to yield estimates of A for these materials that were in very good agreement with previously published Lifshitz calculations. As with various other approaches to determining A, our new method relies heavily on the accuracy of the geometric model used to predict the interaction between the AFM tip and the substrate. For the initial validation experiments of our new method, we therefore focused on describing the shape of the cantilever tip as closely as possible, utilizing a complex model of a truncated pyramid with a spherical cap. Although this pyramidal geometry can be confirmed and the dimensions estimated via scanning electron microscopy (SEM), even high-resolution SEM images of the tip cannot provide sufficient detail to allow precise enough determination of the tip's geometric parameters. Consequently, we also propose an adaptation of the method, in which these difficult to quantify geometric effects are still fully captured via the convenient description of the tip as an 'effective' perfect sphere. Hence, the geometric complexity of the cantilever tip is no longer explicitly required for the determination of A. First, a tip is 'calibrated', whereby the deflection at first contact between the cantilever tip and a smooth surface of known vdW properties is determined and an effective radius, Reff, of the tip is calculated. The tip's approach to contact toward other similarly smooth surfaces can then be well-described by using only this single geometric parameter. We demonstrate the practicality and accuracy of this updated method by comparing the results with both the original pyramid model and Lifshitz approximations (when available) for flat substrates composed of silica, polystyrene, highly ordered pyrolytic graphite (HOPG), sapphire (alpha-Al3O2), Plexiglas (PMMA), and acrylonitrile butadiene styrene (ABS). Then, the modified quasi-dynamic model was employed to study the strength of the adhesive interaction between TNT and several swab materials which are used as explosive detection devices at security checkpoints. This information is crucial for the development and improvement of next-generation swab detection protocols to further advance this field. Finally, we also include the effects of thermal noise into our quasi-dynamic description of the cantilever motion to better understand how such noise might influence the accuracy of our method. We likewise determine, for the first time, the effects of instrument noise on the accuracy of other approach-to-contact methodologies for determining A.

Mechanism and kinetics of electrophoretic deposition of Al{sub 2}O{sub 3}

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

Sarkar, P.; Nicholson, P.S.

1996-06-01

The four main electrophoretic deposition (EPD) mechanisms are discussed and their shortcomings pointed out. The Hamaker constant for Al{sub 2}O{sub 3} in ethanol suspension is determined by modelling the relationship between particle interaction energy and suspension stability. The Derjagun-Landau-Verwey-Overbeek (DLVO) interaction energy curve for Al{sub 2}O{sub 3} particles in ethanol suspension is calculated and the minimum deposition voltage determined. Three probe dc measurements were conducted to explain discrepancies between the calculated and experimentally-observed voltage. A mechanism proposed is based on the DLVO theory and particle-lyosphere destortion/thinning. Kinetic equations for EPD are developed for constant current and constant voltage deposition usingmore » mass balance conditions and verified by experimental data.« less

Soret motion in non-ionic binary molecular mixtures

NASA Astrophysics Data System (ADS)

Leroyer, Yves; Würger, Alois

2011-08-01

We study the Soret coefficient of binary molecular mixtures with dispersion forces. Relying on standard transport theory for liquids, we derive explicit expressions for the thermophoretic mobility and the Soret coefficient. Their sign depends on composition, the size ratio of the two species, and the ratio of Hamaker constants. Our results account for several features observed in experiment, such as a linear variation with the composition; they confirm the general rule that small molecules migrate to the warm, and large ones to the cold.

Deflocculants for Tape Casting Barium Titanate Dielectrics.

DTIC Science & Technology

1988-02-01

was estimated for two spheres with radii of 0.5 microns using the a form of the Hamaker expression for spheres of equal radii: A#( 1 1 (x(x +-2)1VA...2+ 22n 2(9) 12t x(x + 2) + 1 2) (x + J J where a is the particle radius, H is the particle separation, x - H/2a, and A’ is the effective Hamaker ...Organic Chemistry, 3rd ed., Allyn and Bacon, Inc., Boston, 1973. 33. F. A. Cotton and G. Wilkinson, Advanced Inorganic Chemistry, 4th +ed., John

It’s Time to Take the Chill Out of Cost Containment and Re-Energize a Key Acquisition Practice

DTIC Science & Technology

2010-04-01

Wright had already created cost estimating equations to predict the cost of airplanes over long production runs ( Hamaker , 1994). Oddly enough, many are...acquisition outcomes (GAO 06-66). Washington DC: U.S. Government Printing Office. Hamaker , J. (1994). But what will it cost? The history of NASA cost...from http://cost.jsc.nasa.gov/ hamaker . html Kobren, B. (2009). Shaping the life cycle logistics workforce to achieve desired sustainment outcomes

Self-organized pattern formation at organic-inorganic interfaces during deposition: Experiment versus modeling

NASA Astrophysics Data System (ADS)

Szillat, F.; Mayr, S. G.

2011-09-01

Self-organized pattern formation during physical vapor deposition of organic materials onto rough inorganic substrates is characterized by a complex morphological evolution as a function of film thickness. We employ a combined experimental-theoretical study using atomic force microscopy and numerically solved continuum rate equations to address morphological evolution in the model system: poly(bisphenol A carbonate) on polycrystalline Cu. As the key ingredients for pattern formation, (i) curvature and interface potential driven surface diffusion, (ii) deposition noise, and (iii) interface boundary effects are identified. Good agreement of experiments and theory, fitting only the Hamaker constant and diffusivity within narrow physical parameter windows, corroborates the underlying physics and paves the way for computer-assisted interface engineering.

The role of long-range forces in the formation of thin liquid films on metals

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

Gyory, J.R.; Muller, R.H.

1987-06-01

White-light multiple beam interference is used to study the drainage of aqueous electrolytes from vertically optically smooth platinum and gold plates. Bulk liquid is in contact with the bottom of the metal plate. For short times following the lowering of the bulk liquid level, the change in the film profile agrees with that expected from viscous drainage. However, at long times, the film profile deviates from that expected and eventually becomes independent of time at a thickness between 0.08 and 0.25 micrometers. These profiles are best represented by a function dependent on the inverse cube root of height. The thicknessmore » of the equilibrium film profiles with increasing electrolyte concentration. A model based on long range van der Waals interactions resulting in a repulsive force between the interfaces of the film is shown to predict the correct profile shape, and for dilute electrolytes, the correct film thickness. This model also predicts increasing film thickness for increasing electrolyte concentration. The strength of this interaction is characterized by the Hamaker constant which can be calculated from the dielectric functions evaluated at imaginary frequencies of the film and substrate. For metals, this function is generated from spectral absorption data, limiting behavior for low and high frequencies, and by use of the Kramers-Kronig transformation. Hamaker constants calculated from the dielectric functions generated in this manner agree well with those derived from film profiles for dilute electrolytes.« less

Interfacial thin films rupture and self-similarity

NASA Astrophysics Data System (ADS)

Ward, Margaret H.

2011-06-01

Two superposed thin layers of fluids are prone to interfacial instabilities due to London-van der Waals forces. Evolution equations for the film thicknesses are derived using lubrication theory. Using the intrinsic scales, for a single layer, results in a system with parametric dependence of four ratios of the two layers: surface tension, Hamaker constant, viscosity, and film thickness. In contrast to the single layer case, the bilayer system has two unstable eigenmodes: squeezing and bending. For some particular parameter regimes, the system exhibits the avoided crossing behavior, where the two eigenmodes are interchanged. Based on numerical analysis, the system evolves into four different rupture states: basal layer rupture, upper layer rupture, double layer rupture, and mixed layer rupture. The ratio of Hamaker constants and the relative film thickness of the two layers control the system dynamics. Remarkably, the line of avoided crossing demarks the transition region of mode mixing and energy transfer, affecting the scaling of the dynamical regime map consequentially. Asymptotic and numerical analyses are used to examine the self-similar ruptures and to extract the power law scalings for both the basal layer rupture and the upper layer rupture. The scaling laws for the basal layer rupture are the same as those of the single layer on top of a substrate. The scaling laws for the upper layer rupture are different: the lateral length scale decreases according to (tr-t)1/3 and the film thickness decreases according to (tr-t)1/6.

Thermophoresis of dissolved molecules and polymers: Consideration of the temperature-induced macroscopic pressure gradient

NASA Astrophysics Data System (ADS)

Semenov, Semen; Schimpf, Martin

2004-01-01

The movement of molecules and homopolymer chains dissolved in a nonelectrolyte solvent in response to a temperature gradient is considered a consequence of temperature-induced pressure gradients in the solvent layer surrounding the solute molecules. Local pressure gradients are produced by nonuniform London van der Waals interactions, established by gradients in the concentration (density) of solvent molecules. The density gradient is produced by variations in solvent thermal expansion within the nonuniform temperature field. The resulting expression for the velocity of the solute contains the Hamaker constants for solute-solvent and solute-solute interactions, the radius of the solute molecule, and the viscosity and cubic coefficient of thermal expansion of the solvent. In this paper we consider an additional force that arises from directional asymmetry in the interaction between solvent molecules. In a closed cell, the resulting macroscopic pressure gradient gives rise to a volume force that affects the motion of dissolved solutes. An expression for this macroscopic pressure gradient is derived and the resulting force is incorporated into the expression for the solute velocity. The expression is used to calculate thermodiffusion coefficients for polystyrene in several organic solvents. When these values are compared to those measured in the laboratory, the consistency is better than that found in previous reports, which did not consider the macroscopic pressure gradient that arises in a closed thermodiffusion cell. The model also allows for the movement of solute in either direction, depending on the relative values of the solvent and solute Hamaker constants.

Electrophoretic deposition (EPD): Mechanisms, kinetics, and application to ceramics

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

Sarkar, P.; Nicholson, P.S.

1996-08-01

The mechanisms of electrophoretic deposition (EPD) are discussed and their shortcomings identified. The kinetics of the processes involved are analyzed for constant-current and constant-voltage conditions. A method of determining the Hamaker constant of suspended particles is developed by modeling the relationship between the particle interaction energy and the suspension stability. A three-probe dc technique is used to map the voltage profile around the depositing electrode, and the results are used to explain discrepancies between the calculated and experimentally observed voltage drops during deposition. A mechanism of deposition is proposed based on DLVO theory and particle double-layer distortion/thinning on application ofmore » a dc field to the suspension. Kinetic equations are developed for constant-current and constant-voltage EPD using mass balance conditions; these are verified by experiments. After the phenomenon is introduced and discussed, a critique of the application of EPD to the synthesis of ceramic shapes and coatings is given.« less

Interdroplet attractive forces in AOT water-in-oil microemulsions formed in subcritical and supercritical solvents

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

Tingey, J.M.; Fulton, J.L.; Smith, R.D.

1990-03-08

The van der Waals attractive interactions between aqueous droplets in water-in-oil type microemulsions have been investigated for a range of continuous-phase solvents including the alkanes from methane to isooctane and the noble gases, krypton and xenon. Hamaker constants for water droplets with surfactant shells of the sodium bis(2-ethylhexyl) sulfosuccinate (AOT) in subcritical and supercritical solvents were calculated by using Lifshitz theory and the resulting interaction potential calculations qualitatively account for many features of the phase behavior of these systems.

Flow of a surfactant across a thin liquid film wetting a solid substrate

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

Peng, J.B.; He, S.X.; Dutta, P.

1989-12-15

Transfer of a monolayer (valinomycin) between two Langmuir troughs via an interconnecting glass bridge'' has been observed when there is a difference between the monolayer pressures in the two troughs. Assuming that the transfer occurs over the surface of the thin film of water that wets the bridge,'' the transfer rate can be used to estimate the thickness of the liquid film. The thickness thus determined may be used to determine the retarded van der Waals (Hamaker) constant associated with the interaction of the film with the underlying substrate.

The limited swelling of montmorillonite

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

Helmy, A.K.

1998-11-01

The attraction forces responsible for the occurrence of limited swelling of montmorillonite having divalent counterions were evaluated from (a) the electrostatic attraction between the negative charges of one surface and the effective charges of the counterions of the other interlayer surface and (b) van der Waals attraction between the two interlayer surfaces. Both methods of calculation almost account for the force required to maintain limited swelling of the clay. It is found that a Hamaker constant of 2.25 {times} 10{sup {minus}13} erg in place of 2.72 {times} 10{sup {minus}13} erg and a counterion charge screening factor of 0.82[1 {minus} exp({minus}{kappa}{chi})]more » in place of [1 {minus} exp({minus}{kappa}{chi})] reproduce the true value of the attraction force.« less

Surface wettability of an atomically heterogeneous system and the resulting intermolecular forces

NASA Astrophysics Data System (ADS)

Chatterjee, Sanghamitro; Bhattacharjee, Sudeep; Maurya, Sanjeev K.; Srinivasan, Vyas; Khare, Krishnacharya; Khandekar, Sameer

2017-06-01

We present the effect of 0.5 keV Ar+ beam irradiation on the wetting properties of metallic thin films. Observations reveal a transition from hydrophilic to hydrophobic nature at higher beam fluences which can be attributed to a reduction in net surface free energy. In this low-energy regime, ion beams do not induce significant surface roughness and chemical heterogeneity. However, they cause implantation of atomic impurities in the near surface region of the target and thus form a heterogeneous system at atomic length scales. Interestingly, the presence of implanted Ar atoms in the near surface region modifies the dispersive intermolecular interaction near the surface but induces no chemical modification due to their inert nature. On this basis, we have developed a theoretical model consistent with the experimental observations that reproduces the effective Hamaker constant with a reasonable accuracy.

Hydrocarbon Fuel Chemistry: Sediment Water Interaction

DTIC Science & Technology

1981-11-01

applicable to some soils. Goring and Hamaker (I 7) propose that, in some cases, mineral phases of soils make a siynificant contribution to adsorption...832, 1979. Goring, C. A. I., and Hamaker , J. W., eds. "Adsorption," in Organic Chemicals in the Soil Environment, Vol. 1. New York: Marcel Dekker, Inc

Adhesion enhancement of biomimetic dry adhesives by nanoparticle in situ synthesis

NASA Astrophysics Data System (ADS)

Díaz Téllez, J. P.; Harirchian-Saei, S.; Li, Y.; Menon, C.

2013-10-01

A novel method to increase the adhesion strength of a gecko-inspired dry adhesive is presented. Gold nanoparticles are synthesized on the tips of the microfibrils of a polymeric dry adhesive to increase its Hamaker constant. Formation of the gold nanoparticles is qualitatively studied through a colour change in the originally transparent substance and quantitatively analysed using ultraviolet-visible spectrophotometry. A pull-off force test is employed to quantify the adhesion enhancement. Specifically, adhesion forces of samples with and without embedded gold nanoparticles are measured and compared. The experimental results indicate that an adhesion improvement of 135% can be achieved.

Adhesive interaction of elastically deformable spherical particles

NASA Astrophysics Data System (ADS)

D'yachenko, E. N.; Dueck, J. G.

2012-01-01

Two spherical particles that attract each other by van der Waals volume forces and can undergo deformation as a result of the attraction are considered. Small deformations of such particles can be described by the solution of the Hertz problem. The deformation of particles, in turn, alters the force of attraction between them. It has been established that the relationship between the adhesion and elasticity of the indicated particles is determined by the degree to which these particles deform and that the adhesion force acting between the particles depends on their elasticity, size, and the Hamaker constants.

Reflow dynamics of thin patterned viscous films

NASA Astrophysics Data System (ADS)

Leveder, T.; Landis, S.; Davoust, L.

2008-01-01

This letter presents a study of viscous smoothening dynamics of a nanopatterned thin film. Ultrathin film manufacturing processes appearing to be a key point of nanotechnology engineering and numerous studies have been recently led in order to exhibit driving parameters of this transient surface motion, focusing on time scale accuracy method. Based on nanomechanical analysis, this letter shows that controlled shape measurements provided much more detailed information about reflow mechanism. Control of reflow process of any complex surface shape, or measurement of material parameter as thin film viscosity, free surface energy, or even Hamaker constant are therefore possible.

Computational study of heat transfer in gas fluidization

NASA Astrophysics Data System (ADS)

Hou, Q. F.; Zhou, Z. Y.; Yu, A. B.

2013-06-01

Heat transfer in gas fluidization is investigated at a particle scale by means of a combined discrete element method and computational fluid dynamicsapproach. To develop understanding of heat transfer at various conditions, the effects of a few important material properties such as particle size, the Hamaker constant and particle thermal conductivity are examined through controlled numerical experiments. It is found that the convective heat transfer is dominant, and radiative heat transfer becomes important when the temperature is high. Conductive heat transfer also plays a role depending on the flow regimes and material properties. The heat transfer between a fluidized bed and an immersed surface is enhanced by the increase of particle thermal conductivity while it is little affected by Young's modulus. The findings should be useful for better understanding and predicting the heat transfer in gas fluidization.

Colloidal systems and interfaces

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

Ross, S.; Morrison, E.D.

1988-01-01

This book is an excellent, four-part introductory text and sourcebook for those who want to acquire a quick background in , or brush up on, the physical properties and behavior of colloidal dispersions and interfaces. Part I covers properties of particles and techniques for determining particle size and surface area. Part II concentrates on the properties of interfaces, with brief subsections on insoluble monolayers, surface active solutes in aqueous and non-aqueous media, and the thermodynamics of adsorption at interfaces. Part III considers attractive and repulsive interactions, colloid stability (DLVO theory), and kinetics of coagulation. Part IV applies these concepts tomore » emulsions, foams, and suspensions. The sections on colloid rheology, interfacial tensions, Marangoni effects, and calculation of Hamaker constants are particularly good, as are Part IV and the numerous examples of practical applications used throughout the book to illustrate the concepts.« less

Apparent-contact-angle model at partial wetting and evaporation: impact of surface forces.

PubMed

Janeček, V; Nikolayev, V S

2013-01-01

This theoretical and numerical study deals with evaporation of a fluid wedge in contact with its pure vapor. The model describes a regime where the continuous wetting film is absent and the actual line of the triple gas-liquid-solid contact appears. A constant temperature higher than the saturation temperature is imposed at the solid substrate. The fluid flow is solved in the lubrication approximation. The introduction of the surface forces in the case of the partial wetting is discussed. The apparent contact angle (the gas-liquid interface slope far from the contact line) is studied numerically as a function of the substrate superheating, contact line velocity, and parameters related to the solid-fluid interaction (Young and microscopic contact angles, Hamaker constant, etc.). The dependence of the apparent contact angle on the substrate temperature is in agreement with existing approaches. For water, the apparent contact angle may be 20° larger than the Young contact angle for 1 K superheating. The effect of the surface forces on the apparent contact angle is found to be weak.

Apparent-contact-angle model at partial wetting and evaporation: Impact of surface forces

NASA Astrophysics Data System (ADS)

Janeček, V.; Nikolayev, V. S.

2013-01-01

This theoretical and numerical study deals with evaporation of a fluid wedge in contact with its pure vapor. The model describes a regime where the continuous wetting film is absent and the actual line of the triple gas-liquid-solid contact appears. A constant temperature higher than the saturation temperature is imposed at the solid substrate. The fluid flow is solved in the lubrication approximation. The introduction of the surface forces in the case of the partial wetting is discussed. The apparent contact angle (the gas-liquid interface slope far from the contact line) is studied numerically as a function of the substrate superheating, contact line velocity, and parameters related to the solid-fluid interaction (Young and microscopic contact angles, Hamaker constant, etc.). The dependence of the apparent contact angle on the substrate temperature is in agreement with existing approaches. For water, the apparent contact angle may be 20∘ larger than the Young contact angle for 1 K superheating. The effect of the surface forces on the apparent contact angle is found to be weak.

It’s Time to Take the Chill Out of Cost Containment and Re-energize Key Acquisition Practice

DTIC Science & Technology

2010-05-01

the cost of airplanes over long production runs ( Hamaker , 1994). Oddly enough, many are still in use today. In varying degrees, support for LCCM...paid billions in award and incentive fees regardless of acquisition outcomes (GAO 06-66). Washington DC: US GPO. Hamaker , J. (1994). But what will it

Hydrophobic interactions between dissimilar surfaces

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

Yoon, R.H.; Flinn, D.H.; Rabinovich, Y.I.

1997-01-15

An atomic force microscope (AFM) was used to measure surface forces between a glass sphere and a silica plate. When the measurements were conducted between untreated surfaces, a short-range hydration force with decay lengths of 0.4 and 3.0 nm was observed. When the surfaces were hydrophobized with octadecyltrichlorosilane (OTS), on the other hand, long-range hydrophobic forces with decay lengths in the range of 2--32 nm were observed. The force measurements were conducted between surfaces having similar and dissimilar hydrophobicities so that the results may be used for deriving an empirical combining rule. It was found that the power law forcemore » constants for asymmetric interactions are close to the geometric means of those for symmetric interactions. Thus, hydrophobic force constants can be combined in the same manner as the Hamaker constants. A plot of the power law force constants versus water contact angles suggests that the hydrophobic force is uniquely determined by contact angle. These results will be useful in predicting hydrophobic forces for asymmetric interactions and in estimating hydrophobic forces from contact angles.« less

Porous silicon film formation from silicon-nanoparticle inks: The possibility of effects of van der Waals interactions on uniform film formation

NASA Astrophysics Data System (ADS)

Tanaka, Kazuki; Nagoya, Wataru; Moriki, Kazuya; Sato, Seiichi

2018-02-01

Porous Si films were formed on electrically insulative, semiconductive, and conductive substrates by depositing aqueous and nonaqueous Si nanoparticle inks. In this study, we focused on whether the Si ink deposition resulted in the formation of uniform porous Si films on various substrates. As a result of the experiments, we found that the inks showing better substrate wettabilities did not necessarily result in more uniform film formation on the substrates. This implies that the ink-solvent wettability and the nanoparticle-substrate interactions play important roles in the uniform film formation. As one of the interactions, we discussed the influence of van der Waals interactions by calculating the Hamaker constants. The calculation results indicated that the uniform film formation was hampered when the nanoparticle surface had a repulsive van der Waals interaction with the substrate.

Van der waals forces on thin liquid films in capillary tubes

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

Herdt, G.C.; Swanson, L.W.

1993-10-01

A theory of the van der Waals attraction between a thin liquid films and a capillary tube is presented assuming the presence of a vapor-liquid interface. The model is based on the surface mode analysis method of van Kampen et al. Values for the van der Waals interaction energy per unit area were calculated for liquid films of pentane on a gold substrate assuming a thin liquid film. Results indicate that the effect of capillary curvature on the van der Waals interaction increases as the ratio of the liquid film thickness to the capillary radius is increased. This trend ismore » consistent with predictions based on the Hamaker theory. Deviations from results based on the Hamaker theory are easily explained in terms of retardation of the van der Waals interaction. Because the effect of capillary curvature increases in the regime where retardation effects become important, curvature effects constitute a small correction to the van der Waals forces in a capillary tube.« less

SAPHIRE: A New Flat-Panel Digital Mammography Detector With Avalanche Photoconductor and High-Resolution Field Emitter Readout

DTIC Science & Technology

2006-06-01

work by Marshak et al.,9 who was studying neutron diffusion, and by Hamaker ,10 who had calculated the light emitted from a layer of x-ray fluorescent...diffusion and slowing down of neutrons,” Nucleonics 4, 10–22 1949. 10H. C. Hamaker , “Radiation and heat conduction in light scattering mate- rials

Computations of Lifshitz-van der Waals interaction energies between irregular particles and surfaces at all separations for resuspension modelling

NASA Astrophysics Data System (ADS)

Priye, Aashish; Marlow, William H.

2013-10-01

The phenomenon of particle resuspension plays a vital role in numerous fields. Among many aspects of particle resuspension dynamics, a dominant concern is the accurate description and formulation of the van der Waals (vdW) interactions between the particle and substrate. Current models treat adhesion by incorporating a material-dependent Hamaker's constant which relies on the heuristic Hamaker's two-body interactions. However, this assumption of pairwise summation of interaction energies can lead to significant errors in condensed matter as it does not take into account the many-body interaction and retardation effects. To address these issues, an approach based on Lifshitz continuum theory of vdW interactions has been developed to calculate the principal many-body interactions between arbitrary geometries at all separation distances to a high degree of accuracy through Lifshitz's theory. We have applied this numerical implementation to calculate the many-body vdW interactions between spherical particles and surfaces with sinusoidally varying roughness profile and also to non-spherical particles (cubes, cylinders, tetrahedron etc) orientated differently with respect to the surface. Our calculations revealed that increasing the surface roughness amplitude decreases the adhesion force and non-spherical particles adhere to the surfaces more strongly when their flatter sides are oriented towards the surface. Such practical shapes and structures of particle-surface systems have not been previously considered in resuspension models and this rigorous treatment of vdW interactions provides more realistic adhesion forces between the particle and the surface which can then be coupled with computational fluid dynamics models to improve the predictive capabilities of particle resuspension dynamics.

Out-of-equilibrium relaxation of the thermal Casimir effect in a model polarizable material

NASA Astrophysics Data System (ADS)

Dean, David S.; Démery, Vincent; Parsegian, V. Adrian; Podgornik, Rudolf

2012-03-01

Relaxation of the thermal Casimir or van der Waals force (the high temperature limit of the Casimir force) for a model dielectric medium is investigated. We start with a model of interacting polarization fields with a dynamics that leads to a frequency dependent dielectric constant of the Debye form. In the static limit, the usual zero frequency Matsubara mode component of the Casimir force is recovered. We then consider the out-of-equilibrium relaxation of the van der Waals force to its equilibrium value when two initially uncorrelated dielectric bodies are brought into sudden proximity. For the interaction between dielectric slabs, it is found that the spatial dependence of the out-of-equilibrium force is the same as the equilibrium one, but it has a time dependent amplitude, or Hamaker coefficient, which increases in time to its equilibrium value. The final relaxation of the force to its equilibrium value is exponential in systems with a single or finite number of polarization field relaxation times. However, in systems, such as those described by the Havriliak-Negami dielectric constant with a broad distribution of relaxation times, we observe a much slower power law decay to the equilibrium value.

Direct measurements of forces between different charged colloidal particles and their prediction by the theory of Derjaguin, Landau, Verwey, and Overbeek (DLVO)

NASA Astrophysics Data System (ADS)

Ruiz-Cabello, F. Javier Montes; Maroni, Plinio; Borkovec, Michal

2013-06-01

Force measurements between three types of latex particles of diameters down to 1 μm with sulfate and carboxyl surface functionalities were carried out with the multi-particle colloidal probe technique. The experiments were performed in monovalent electrolyte up to concentrations of about 5 mM. The force profiles could be quantified with the theory of Derjaguin, Landau, Verwey, and Overbeek (DLVO) by invoking non-retarded van der Waals forces and the Poisson-Boltzmann description of double layer forces within the constant regulation approximation. The forces measured in the symmetric systems were used to extract particle and surface properties, namely, the Hamaker constant, surface potentials, and regulation parameters. The regulation parameter is found to be independent of solution composition. With these values at hand, the DLVO theory is capable to accurately predict the measured forces in the asymmetric systems down to distances of 2-3 nm without adjustable parameters. This success indicates that DLVO theory is highly reliable to quantify interaction forces in such systems. However, charge regulation effects are found to be important, and they must be considered to obtain correct description of the forces. The use of the classical constant charge or constant potential boundary conditions may lead to erroneous results. To make reliable predictions of the force profiles, the surface potentials must be extracted from direct force measurements too. For highly charged surfaces, the commonly used electrophoresis techniques are found to yield incorrect estimates of this quantity.

Direct measurements of forces between different charged colloidal particles and their prediction by the theory of Derjaguin, Landau, Verwey, and Overbeek (DLVO).

PubMed

Montes Ruiz-Cabello, F Javier; Maroni, Plinio; Borkovec, Michal

2013-06-21

Force measurements between three types of latex particles of diameters down to 1 μm with sulfate and carboxyl surface functionalities were carried out with the multi-particle colloidal probe technique. The experiments were performed in monovalent electrolyte up to concentrations of about 5 mM. The force profiles could be quantified with the theory of Derjaguin, Landau, Verwey, and Overbeek (DLVO) by invoking non-retarded van der Waals forces and the Poisson-Boltzmann description of double layer forces within the constant regulation approximation. The forces measured in the symmetric systems were used to extract particle and surface properties, namely, the Hamaker constant, surface potentials, and regulation parameters. The regulation parameter is found to be independent of solution composition. With these values at hand, the DLVO theory is capable to accurately predict the measured forces in the asymmetric systems down to distances of 2-3 nm without adjustable parameters. This success indicates that DLVO theory is highly reliable to quantify interaction forces in such systems. However, charge regulation effects are found to be important, and they must be considered to obtain correct description of the forces. The use of the classical constant charge or constant potential boundary conditions may lead to erroneous results. To make reliable predictions of the force profiles, the surface potentials must be extracted from direct force measurements too. For highly charged surfaces, the commonly used electrophoresis techniques are found to yield incorrect estimates of this quantity.

Communication: Local energetic analysis of the interfacial and surface energies of graphene from the single layer to graphite

NASA Astrophysics Data System (ADS)

Kocherlakota, Lakshmi S.; Krajina, Brad A.; Overney, René M.

2015-12-01

Recent advances in scanning probe methods that provide direct access to the surface free energy of inorganic layered materials in terms of the Hamaker constant yield energetic values for monolayer graphene that differ substantially, by a factor of around 0.4, from bulk graphite. The onset of bulk deviating energy values was observed at a multilayer slab thickness of ˜3 nm, corresponding to a layer number of 10. The findings, complemented with extractions from water contact angle measurements and calculated interlayer binding energies, find short-range ordinary van der Waals interactions to be most prominently affected by dimensional constraints and many-body interactions.

Communication: Local energetic analysis of the interfacial and surface energies of graphene from the single layer to graphite.

PubMed

Kocherlakota, Lakshmi S; Krajina, Brad A; Overney, René M

2015-12-28

Recent advances in scanning probe methods that provide direct access to the surface free energy of inorganic layered materials in terms of the Hamaker constant yield energetic values for monolayer graphene that differ substantially, by a factor of around 0.4, from bulk graphite. The onset of bulk deviating energy values was observed at a multilayer slab thickness of ∼3 nm, corresponding to a layer number of 10. The findings, complemented with extractions from water contact angle measurements and calculated interlayer binding energies, find short-range ordinary van der Waals interactions to be most prominently affected by dimensional constraints and many-body interactions.

Roles of additives and surface control in slurry atomization

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

Tsai, S.C.

1990-01-01

This report focuses on the effects of interparticle forces on the rheology and airblast atomization of micronized coal water slurry (CWS). We found that the CWS flow behavior index is determined by the relative importance of the interparticle van der Waals attraction and the interparticle electrostatic repulsion. The former intensifies as the Hamaker constant increases and the interparticle distance reduces while the latter increases as the particle surface charge density increases. The interparticle attraction causes particle aggregation, which breaks down at high shear rates, and thus leads to slurry pseudoplastic behavior. In contrast, the interparticle repulsion prevents particle aggregation andmore » thus leads to Newtonian behavior. Both atomized at low atomizing air pressures (less than 270 kPa) using twin-fluid jet atomizers of various distributor designs. We found that the atomized drop sizes of micronized coal water slurries substantially decrease as the atomizing air pressure exceeds a threshold value. The effects of coal volume fraction, coal particle surface charge, liquid composition and liquid viscosity on slurry atomization can be accounted for by their effects on slurry rheology. 26 refs.« less

Hydrophobic forces in the foam films stabilized by sodium dodecyl sulfate: effect of electrolyte.

PubMed

Wang, Liguang; Yoon, Roe-Hoan

2004-12-21

Further studies of the hydrophobic force in foam films were carried out, including the effect of added inorganic electrolyte. We used a thin film balance of Scheludko-Exerowa type to obtain the disjoining pressure isotherms of the foam films stabilized by 10(-4) M sodium dodecyl sulfate in varying concentrations of sodium chloride. The results were compared with the disjoining pressure isotherms predicted from the extended Derjaguin-Landau-Verwey-Overbeek theory, which considers contributions from hydrophobic force in addition to those from double layer and van der Waals dispersion forces. The double layer forces were calculated from the surface potentials (psi s) obtained using the Gibbs adsorption equation and corrected for the counterion binding effect, while the dispersion forces were calculated using the Hamaker constant (A232) of 3.7 x 10(-20) J. The hydrophobic forces were calculated from the equilibrium film thickness as described previously. The predicted disjoining pressure isotherms were in good agreement with the experimental ones. It was found that the hydrophobic force is dampened substantially by the added electrolyte.

van der Waals Interactions on the Mesoscale: Open-Science Implementation, Anisotropy, Retardation, and Solvent Effects.

PubMed

Dryden, Daniel M; Hopkins, Jaime C; Denoyer, Lin K; Poudel, Lokendra; Steinmetz, Nicole F; Ching, Wai-Yim; Podgornik, Rudolf; Parsegian, Adrian; French, Roger H

2015-09-22

The self-assembly of heterogeneous mesoscale systems is mediated by long-range interactions, including van der Waals forces. Diverse mesoscale architectures, built of optically and morphologically anisotropic elements such as DNA, collagen, single-walled carbon nanotubes, and inorganic materials, require a tool to calculate the forces, torques, interaction energies, and Hamaker coefficients that govern assembly in such systems. The mesoscale Lifshitz theory of van der Waals interactions can accurately describe solvent and temperature effects, retardation, and optically and morphologically anisotropic materials for cylindrical and planar interaction geometries. The Gecko Hamaker open-science software implementation of this theory enables new and sophisticated insights into the properties of important organic/inorganic systems: interactions show an extended range of magnitudes and retardation rates, DNA interactions show an imprint of base pair composition, certain SWCNT interactions display retardation-dependent nonmonotonicity, and interactions are mapped across a range of material systems in order to facilitate rational mesoscale design.

Description of Contaminant Sediment-Water Interactions Using RECOVERY

DTIC Science & Technology

1993-04-01

organic carbon) ( Hamaker and Thompson 1972). Table 2 L Values for Each Contaminant Sediment FonnFIIaDtlfP 1 Mark Twain 9.25 x 107 1.37 x 10’ 9.25 x...Results from this study and previous studies conducted by Gunnison et al. (1991) showed that organic and inorganic contaminants are strongly bound to the...Waterways Experiment Station, Vicksburg, MS. Hamaker , J. W., and Thompson, J. M. 1972. "Adsorption," In Organic Chemicals in the Soil Environment. C. A. I

Wrinkling and folding of nanotube-polymer bilayers

NASA Astrophysics Data System (ADS)

Semler, Matthew R.; Harris, John M.; Hobbie, Erik K.

2014-07-01

The influence of a polymer capping layer on the deformation of purified single-wall carbon nanotube (SWCNT) networks is analyzed through the wrinkling of compressed SWCNT-polymer bilayers on polydimethylsiloxane. The films exhibit both wrinkling and folding under compression and we extract the elastoplastic response using conventional two-plate buckling schemes. The formation of a diffuse interpenetrating nanotube-polymer interface has a dramatic effect on the nanotube layer modulus for both metallic and semiconducting species. In contrast to the usual percolation exhibited by the pure SWCNT films, the capped films show a crossover from "composite" behavior (the modulus of the SWCNT film is enhanced by the polymer) to "plasticized" behavior (the modulus of the SWCNT film is reduced by the polymer) as the SWCNT film thickness increases. For almost all thicknesses, however, the polymer enhances the yield strain of the nanotube network. Conductivity measurements on identical films suggest that the polymer has a modest effect on charge transport, which we interpret as a strain-induced polymer penetration of interfacial nanotube contacts. We use scaling, Flory-Huggins theory, and independently determined nanotube-nanotube and nanotube-polymer Hamaker constants to model the response.

Derivation of Hamaker Dispersion Energy of Amorphous Carbon Surfaces in Contact with Liquids Using Photoelectron Energy-Loss Spectra

NASA Astrophysics Data System (ADS)

Godet, Christian; David, Denis

2017-12-01

Hamaker interaction energies and cutoff distances have been calculated for disordered carbon films, in contact with purely dispersive (diiodomethane) or polar (water) liquids, using their experimental dielectric functions ɛ ( q, ω) obtained over a broad energy range. In contrast with previous works, a q-averaged < ɛ ( q, ω) > q is derived from photoelectron energy-loss spectroscopy (XPS-PEELS) where the energy loss function (ELF) < Im[-1/ ɛ ( q, ω)] > q is a weighted average over allowed transferred wave vector values, q, given by the physics of bulk plasmon excitation. For microcrystalline diamond and amorphous carbon films with a wide range of (sp3/sp2 + sp3) hybridization, non-retarded Hamaker energies, A 132 ( L < 1 nm), were calculated in several configurations, and distance and wavenumber cutoff values were then calculated based on A 132 and the dispersive work of adhesion obtained from contact angles. A geometric average approximation, H 0 CVL = ( H 0 CVC H 0 LVL )1/2, holds for the cutoff separation distances obtained for carbon-vacuum-liquid (CVL), carbon-vacuum-carbon (CVC) and liquid-vacuum-liquid (LVL) equilibrium configurations. The linear dependence found for A CVL, A CLC and A CLV values as a function of A CVC, for each liquid, allows predictive relationships for Hamaker energies (in any configuration) using experimental determination of the dispersive component of the surface tension, {γ}_{CV}^d , and a guess value of the cutoff distance H 0 CVC of the solid. [Figure not available: see fulltext.

Optimizing Multiple-Choice Tests as Learning Events

ERIC Educational Resources Information Center

Little, Jeri Lynn

2011-01-01

Although generally used for assessment, tests can also serve as tools for learning--but different test formats may not be equally beneficial. Specifically, research has shown multiple-choice tests to be less effective than cued-recall tests in improving the later retention of the tested information (e.g., see meta-analysis by Hamaker, 1986),…

Cluster-collision frequency. I. The long-range intercluster potential

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

Amadon, A.S.; Marlow, W.H.

1991-05-15

In recent years, gas-borne atomic and molecular clusters have emerged as subjects of basic physical and chemical interest and are gaining recognition for their importance in numerous applications. To calculate the evolution of the mass distribution of these clusters, their thermal collision rates are required. For computing these collision rates, the long-range interaction energy between clusters is required and is the subject of this paper. Utilizing a formulation of the iterated van der Waals interaction over discrete molecules that can be shown to converge with increasing numbers of atoms to the Lifshitz--van der Waals interaction for condensed matter, we calculatemore » the interaction energy as a function of center-of-mass separation for identical pairs of clusters of 13, 33, and 55 molecules of carbon tetrachloride in icosahedral and dodecahedral configurations. Two different relative orientations are chosen for each pair of clusters, and the energies are compared with energies calculated from the standard formula for continuum matter derived by summing over pair interactions with the Hamaker constant calculated according to Lifshitz theory. The results of these calculations give long-range interaction energies that assume typical adhesion-type values at cluster contact, unlike the unbounded results for the Lifshitz-Hamaker model. The relative difference between the discrete molecular energies and the continuum energies vanishes for {ital r}{sup *}{approx}2, where {ital r}{sup *} is the center-of-mass separation distance in units of cluster diameter. For larger separations, the relative difference changes sign, showing a value of approximately 15%, with the difference diminishing for increasing-sized clusters.« less

Symmetric and asymmetric instability of buried polymer interfaces

NASA Astrophysics Data System (ADS)

de Silva, J. P.; Cousin, F.; Wildes, A. R.; Geoghegan, M.; Sferrazza, M.

2012-09-01

We demonstrate using neutron reflectometry that the internal interfaces in a trilayer system of two identical thick polystyrene layers sandwiching a much thinner (deuterated) poly(methyl methacrylate) layer 15 nm thick (viscosity matched with the polystyrene layers) increase in roughness at the same rate. When the lower polystyrene layer is replaced with a layer of the same polymer of much greater molecular mass, two different growths of the interfaces are observed. From the growth of the interface for this asymmetric case in the solid regime using the theoretical prediction of the spinodal instability including slippage at the interface, a value of the Hamaker constant of the system has been extracted in agreement with the calculated value. For the symmetric case the rise time of the instability is much faster.

Influence of the surface chemistry on TiO2 - TiO2 nanocontact forces as measured by an UHV-AFM

NASA Astrophysics Data System (ADS)

Kunze, Christian; Giner, Ignacio; Torun, Boray; Grundmeier, Guido

2014-03-01

Particle-wall contact forces between a TiO2 film coated AFM tip and TiO2(1 1 0) single crystal surfaces were analyzed by means of UHV-AFM. As a reference system an octadecylphosphonic acid monolayer covered TiO2(1 1 0) surface was studied. The defect chemistry of the TiO2 substrate was modified by Ar ion bombardment, water dosing at 3 × 10-6 Pa and an annealing step at 473 K which resulted in a varying density of Ti(III) states. The observed contact forces are correlated to the surface defect density and are discussed in terms of the change in the electronic structure and its influence on the Hamaker constant.

Rupture of thin liquid films on structured surfaces

NASA Astrophysics Data System (ADS)

Ajaev, Vladimir S.; Gatapova, Elizaveta Ya.; Kabov, Oleg A.

2011-10-01

We investigate stability and breakup of a thin liquid film on a solid surface under the action of disjoining pressure. The solid surface is structured by parallel grooves. Air is trapped in the grooves under the liquid film. Our mathematical model takes into account the effect of slip due to the presence of menisci separating the liquid film from the air inside the grooves, the deformation of these menisci due to local variations of pressure in the liquid film, and nonuniformities of the Hamaker constant which measures the strength of disjoining pressure. Both linear stability and strongly nonlinear evolution of the film are analyzed. Surface structuring results in decrease of the fastest growing instability wavelength and the rupture time. It is shown that a simplified description of film dynamics based on the standard formula for effective slip leads to significant deviations from the behavior seen in our simulations. Self-similar decay over several orders of magnitude of the film thickness near the rupture point is observed. We also show that the presence of the grooves can lead to instability in otherwise stable films if the relative groove width is above a critical value, found as a function of disjoining pressure parameters.

Unsteady sedimentation of flocculating non-Brownian suspensions

NASA Astrophysics Data System (ADS)

Zinchenko, Alexander

2017-11-01

Microstructural evolution and temporal dynamics of the sedimentation rate U(t) are studied for a monodisperse suspension of non-Brownian spherical particles subject to van der Waals attraction and electrostatic repulsion in the realistic range of colloidal parameters (Hamaker constant, surface potential, double layer thickness etc.). A novel economical high-order multipole algorithm is used to fully resolve hydrodynamical interactions in the dynamical simulations with up to 500 spheres in a periodic box and O(106) time steps, combined with geometry perturbation to incorporate lubrication and extend the solution to arbitrarily small particle separations. The total colloidal force near the secondary minimum often greatly exceeds the effective gravity/buoyancy force, resulting in the formation of strong but flexible bonds and large clusters as the suspension evolves from an initial well-mixed state of non-aggregated spheres. Ensemble averaging over many initial configurations is used to predict U(t) for particle volume fractions between 0.1 and 0.25. The results are fully convergent, system-size independent and cover a 2-2.5 fold growth of U(t) after a latency time.

Comments on Hamaker's hypothesis of a coming CO/sub 2/-induced ice age

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

MacCracken, M.C.

1989-06-01

Over the past several years, John Hamaker and a number of followers have put forth a hypothesis that the imminent demise of the world's forests from lack of vital mineral nutrients will trigger an ice age. Their evidence in support of this hypothesis has recently appeared as a videotape entitled ''Stopping the Coming Ice Age.'' These comments were prepared in response to the arguments presented on this tape, which several people have suggested presents a highly important scientific analysis unfairly receiving too little attention. I will focus primarily on analysis of the climatic aspects of the Hamaker hypothesis. The videotapemore » attempts to put forth a coherent and appealing story, but does so by taking comments of some scientists out of context, by quoting some scientists out of their field of expertise, by skimming over some serious shortcomings, by facile assumptions not easily spotted by the non-specialist, and by mixing in many true statements (which makes it especially difficult for the lay listener to spot the problems). Overall, these actions combine to make the presentation of the hypothesis very appealing, but also very deceptive.« less

Monte Carlo simulation of Hamaker nanospheres coated with dipolar particles

NASA Astrophysics Data System (ADS)

Meyra, Ariel G.; Zarragoicoechea, Guillermo J.; Kuz, Victor A.

2012-01-01

Parallel tempering Monte Carlo simulation is carried out in systems of N attractive Hamaker spheres dressed with n dipolar particles, able to move on the surface of the spheres. Different cluster configurations emerge for given values of the control parameters. Energy per sphere, pair distribution functions of spheres and dipoles as function of temperature, density, external electric field, and/or the angular orientation of dipoles are used to analyse the state of aggregation of the system. As a consequence of the non-central interaction, the model predicts complex structures like self-assembly of spheres by a double crown of dipoles. This interesting result could be of help in understanding some recent experiments in colloidal science and biology.

Dynamics of liquid spreading on solid surfaces

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

Kalliadasis, S.; Chang, H.C.

1996-09-01

Using simple scaling arguments and a precursor film model, the authors show that the appropriate macroscopic contact angle {theta} during the slow spreading of a completely or partially wetting liquid under conditions of viscous flow and small slopes should be described by tan {theta} = [tan{sup 3} {theta}{sub e} {minus} 9 log {eta}Ca]{sup 1/3} where {theta}{sub e} is the static contact angle, Ca is the capillary number, and {eta} is a scaled Hamaker constant. Using this simple relation as a boundary condition, the authors are able to quantitatively model, without any empirical parameter, the spreading dynamics of several classical spreadingmore » phenomena (capillary rise, sessile, and pendant drop spreading) by simply equating the slope of the leading order static bulk region to the dynamic contact angle boundary condition without performing a matched asymptotic analysis for each case independently as is usually done in the literature.« less

Use of the augmented Young-Laplace equation to model equilibrium and evaporating extended menisci

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

DasGupta, S.; Schonberg, J.A.; Kim, I.Y.

1993-05-01

The generic importance of fluid flow and change-of-phase heat transfer in the contact line region of an extended meniscus has led to theoretical and experimental research on the details of these transport processes. Numerical solutions of equilibrium and nonequilibrium models based on the augmented Young-Laplace equation were successfully used to evaluate experimental data for an extended meniscus. The data for the equilibrium and nonequilibrium meniscus profiles were obtained optically using ellipsometry and image processing interferometry. A Taylor series expansion of the fourth-order nonlinear transport model was used to obtain the extremely sensitive initial conditions at the interline. The solid-liquid-vapor Hamakermore » constants for the systems were obtained from the experimental data. The consistency of the data was demonstrated by using the combining rules to calculate the unknown value of the Hamaker constant for the experimental substrate. The sensitivity of the meniscus profile to small changes in the environment was demonstrated. Both temperature and intermolecular forces need to be included in modeling transport processes in the contact line region because the chemical potential is a function of both temperature and pressure.« less

Field-Assisted Contact Line Motion in Thin Films.

PubMed

Ghosh, Udita Uday; DasGupta, Sunando

2018-04-25

The balance of intermolecular and surface forces plays a critical role in the transport phenomena near the contact line region of an extended meniscus in several technologically important processes. Externally applied fields can alter the equilibrium and stability of the meniscus with concomitant effects on its shape and spreading characteristics and may even lead to an oscillation. This feature article provides a detailed account of the present and past efforts in exploring the behavior of curved thin liquid films subjected to mild thermal perturbations, heat input, and electrical and magnetic fields for pure as well as colloidal suspensions, including the effects of particle charge and polarity. The shape-dependent intermolecular force field has been evaluated in situ by a nonobtrusive optical technique utilizing the interference phenomena and subsequent image processing. The critical role of disjoining pressure is identified along with the determination of the Hamaker constant. The spatial and temporal variations of the capillary forces are evaluated for the advancing and receding menisci. The Maxwell-stress-induced enhanced spreading during electrowetting, at relatively low voltages, and that due to the application of a magnetic field are discussed with respect to their distinctly different characteristics and application potentials. The use of the augmented Young-Laplace equation elicited additional insights into the fundamental physics for flow in ultrathin liquid films.

Lubricant distribution and its effect on slider air bearing performance over bit patterned media disk of disk drives

NASA Astrophysics Data System (ADS)

Wu, Lin

2011-04-01

The distribution dynamics of a thin lubricant film on a bit-patterned media disk and its effect on the performance of the ultralow flying air bearing slider of disk drives are studied by direct numerical simulations. Our analysis shows that the physics governing lubricant distribution dynamics changes when deep enough sub-100-nm nanostructures are patterned on the disk surface. Air shearing under the slider that dominates lubricant flow on a flat disk may become negligible on a bit-patterned media disk. Surface tension and disjoining pressure become dominant factors instead. Our results show that disks with nanoscale patterns/roughness may no longer be treated as flat, and the air bearing load may strongly depend not only on the geometric detail of disk patterns but also on how lubricants are distributed on the patterns when slider-disk clearance is reduced to sub-10-nm. Air bearing load and consequently the slider's flying attitude are affected by disk pattern geometry, average lubricant thickness, and material properties of lubricant such as the surface tension coefficient and Hamaker constant. The significantly expanded parameter space, upon which ultralow flying slider's dynamics depends, has to be seriously considered in evaluating the head/disk interface tribology performance of next generation patterned media magnetic recording systems.

Combinatorial screening of organic electronic materials: thin film stability

NASA Astrophysics Data System (ADS)

Chattopadhyay, Santanu; Carson Meredith, J.

2005-01-01

Dewetting of thin polymeric semiconducting-insulating (and conducting-insulating) bilayers is a serious fundamental problem facing the fabrication of organic electronic devices such as transistors, light-emitting diodes and supercapacitors. This paper describes a high-throughput characterization method that utilizes orthogonal thickness-gradient libraries of the bilayer components poly(3-octylthiophene) (semiconductor) and poly(styrene) (insulator). The technique allows simultaneous observation of hundreds of combinations of thicknesses and has permitted rapid discovery of a previously-unknown VDW instability transition. We observe that the onset of VDW instability in the PS-P3OT bilayer is a complex function of P3OT thickness that cannot be predicted by Hamaker constant models for free energy. At low P3OT thickness, the semiconductor acts to stabilize the PS insulator. But above a P3OT thickness of 175 nm, this behaviour is switched and P3OT destabilizes the PS. These thickness-dependent effects are correlated very well with dramatic transitions in P3OT optical spectra and the P3OT-AFM tip interaction forces. This unusual behaviour places critical limitations on practical device thicknesses and interfacial combinations, and points to the need for a thin-film stability theory that accounts for thickness-dependent molecular-electronic effects.

Flocculation of deformable emulsion droplets. 2: Interaction energy

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

Petsev, D.N.; Denkov, N.D.; Kralchevsky, P.A.

1995-12-01

The effect of different factors (drop radius, interfacial tension, Hamaker constant, electrolyte, micellar concentrations, etc.) on the interaction energy of emulsion droplets is studied theoretically. It is demonstrated that the deformation of the colliding droplets considerably affects the interaction energy. The contributions of the electrostatic, van der Waals, depletion, steric, and oscillatory surface forces, as well as for the surface stretching and bending energies, are estimated and discussed. The calculations show that the droplets interact as nondeformed spheres when the attractive interactions are weak. At stronger attractions an equilibrium plane parallel film is formed between the droplets, corresponding to minimummore » interaction energy of the system. For droplets in concentrated micellar surfactant solutions the oscillatory surface forces become operative and one can observe several minima of the energy surface,each corresponding to a metastable state with a different number of micellar layers inside the film formed between the droplets. The present theoretical analysis can find applications in predicting the behavior and stability of miniemulsions (containing micrometer and submicrometer droplets), as well as in interpretation of data obtained by light scattering, phase behavior, rheological and osmotic pressure measurements, etc.« less

Non-intrusive measurements of frictional forces between micro-spheres and flat surfaces

NASA Astrophysics Data System (ADS)

Lin, Wei-Hsun; Daraio, Chiara; Daraio's Group Team

2014-03-01

We report a novel, optical pump-probe experimental setup to study micro-friction phenomena between micro-particles and a flat surface. We present a case study of stainless steel microspheres, of diameter near 250 μm, in contact with different surfaces of variable roughness. In these experiments, the contact area between the particles and the substrates is only a few nanometers wide. To excite the particles, we deliver an impulse using a pulsed, high-power laser. The reaction force resulting from the surface ablation induced by the laser imparts a controlled initial velocity to the target particle. This initial velocity can be varied between 10-5 to 1 m/s. We investigate the vibrating and rolling motions of the micro-particles by detecting their velocity and displacement with a laser vibrometer and a high-speed microscope camera. We calculate the effective Hamaker constant from the vibrating motion of a particle, and study its relation to the substrate's surface roughness. We analyze the relation between rolling friction and the minimum momentum required to break surface bonding forces. This non-contact and non-intrusive technique could be employed to study a variety of contact and tribology problems at the microscale.

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.

Rheology of Organodispersions of Alumina Nanopowders Used in Producing Articles from Engineering Ceramics

NASA Astrophysics Data System (ADS)

Palcevskis, E.; Faitelson, L.; Jakobsons, E.

2005-05-01

The rheological properties of molding suspensions of alumina nanopowder in paraffin have been studied. Powders with specific surface areas of 32 and 55 m2/g and the surface-active substances oleic acid and Hypermer LP1 were used. The Hamaker constant for alumina particles in paraffin wax was estimated. A rough calculation showed that a gel should arise in the suspensions studied. The linearly viscoelastic characteristics determined by the method of small-amplitude periodic shear (on the frequency range from 0.063 to 157 s-1) confirmed this conclusion. The flow curves of the molding feedstock, determined over a broad range of shear rates (from 0.018 to 1070 s-1), point to a pseudoplastic character of the flow. From the rheological studies it follows that, in manufacturing engineering ceramics by injection molding from the suspensions investigated and in designing or selecting the forming equipment, the realization of maximum high shear strains must be ensured, which will promote a qualitative filling of intricately shaped and small-size molds.

Obtaining electrostatically bound CdS-SiO2 aggregates from electrophoretic concentrates of CdS nanoparticles

NASA Astrophysics Data System (ADS)

Bulavchenko, A. I.; Sap'yanik, A. A.; Demidova, M. G.; Rakhmanova, M. I.; Popovetskii, P. S.

2015-05-01

Nonaqueous electrophoresis reveals that the electrokinetic potential of CdS nanoparticles increases slightly (85-120 mV) along with the concentration (0-5 × 10-3 M) of sodium bis(2-ethylhexyl) sulfosuccinate (AOT) in n-decane, while negatively charged SiO2 particles acquire positive charge (switching from -75 up to +135 mV). The energies of interparticle interactions in CdS-CdS and CdS-SiO2 systems are calculated from these parameters and the literature values of the Hamaker constants according to the Deryaguin-Landau-Verwey-Overbeek (DLVO) theory. It is concluded that the presence of a minimum (2.5 k B T) on the potential dependences of the CdS-SiO2 system indicates the formation of CdS-SiO2 aggregates electrostatically bound by heterocoagulation at low concentrations of AOT. The luminescent properties of the obtained ultrafine CdS-SiO2 powders depend on the CdS content.

Aggregation Kinetics of Diesel Soot Nanoparticles in Wet Environments.

PubMed

Chen, Chengyu; Huang, Weilin

2017-02-21

Soot produced during incomplete combustion consists mainly of carbonaceous nanoparticles (NPs) with severe adverse environmental and health effects, and its environmental fate and transport are largely controlled by aggregation. In this study, we examined the aggregation behavior for diesel soot NPs under aqueous condition in an effort to elucidate the fundamental processes that govern soot particle-particle interactions in wet environments such as rain droplets or surface aquatic systems. The influence of electrolytes and aqueous pH on colloidal stability of these NPs was investigated by measuring their aggregation kinetics in different aqueous solution chemistries. The results showed that the NPs had negatively charged surfaces and exhibited both reaction- and diffusion-limited aggregation regimes with rates depended upon solution chemistry. The aggregation kinetics data were in good agreement with the classic Derjaguin-Landau-Verwey-Overbeek (DLVO) theory. The critical coagulation concentrations (CCC) were quantified and the Hamaker constant was derived for the soot (1.4 × 10 -20 J) using the colloidal chemistry approach. The study indicated that, depending upon local aqueous chemistry, single soot NPs could remain stable against self-aggregation in typical freshwater environments and in neutral cloud droplets but are likely to aggregate under salty (e.g., estuaries) or acidic (e.g., acid rain droplets) aquatic conditions or both.

Adhesion of Escherichia coli onto quartz, hematite and corundum: extended DLVO theory and flotation behavior.

PubMed

Farahat, Mohsen; Hirajima, Tsuyoshi; Sasaki, Keiko; Doi, Katsumi

2009-11-01

The adhesion of Escherichia coli onto quartz, hematite and corundum was experimentally investigated. A strain of E. coli was used that had the genes for expressing protein for silica precipitation. The maximum cell adhesion was observed at pH <4.3 for quartz and at pH 4.5-8.5 for corundum. For hematite, cell adhesion remained low at all pH values. The microbe-mineral adhesion was assessed by the extended DLVO theory approach. The essential parameters for calculation of microbe-mineral interaction energy (Hamaker constants and acid-base components) were experimentally determined. The extended DLVO approach could be used to explain the results of the adhesion experiments. The effect of E. coli on the floatability of three oxide minerals was determined and the results showed that E. coli can act as a selective collector for quartz at acidic pH values, with 90% of the quartz floated at 1.5 x 10(9)cells/ml. However, only 9% hematite and 30% corundum could be floated under similar conditions. By using E. coli and no reagents, it was possible to separate quartz from a hematite-quartz mixture with Newton's efficiency of 0.70. Removal of quartz from the corundum mixture was achieved by E. coli with Newton's efficiency of 0.62.

Attractive interactions between reverse aggregates and phase separation in concentrated malonamide extractant solutions

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

Erlinger, C.; Belloni, L.; Zemb, T.

1999-03-30

Using small angle X-ray scattering, conductivity, and phase behavior determination, the authors show that concentrated solutions of malonamide extractants, dimethyldibutyltetradecylmalonamide (DMDBTDMA), are organized in reverse oligomeric aggregates which have many features in common with reverse micelles. The aggregation numbers of these reverse globular aggregates as well as their interaction potential are determined from absolute scattering curves. An attractive interaction is responsible for the demixing of the oil phase when in equilibrium with excess oil. Prediction of conductivity as well as the formation conditions for the third phase is possible using standard liquid theory applied to the extractant aggregates. The interactions,more » modeled with the sticky sphere model proposed by Baster, are shown to be due to steric interactions resulting from the hydrophobic tails of the extractant molecule and van der Waals forces between the highly polarizable water core of the reverse micelles. The attractive interaction in the oil phase, equilibrated with water, is determined as a function of temperature, extractant molecule concentration, and proton and neodynium(III) cation concentration. It is shown that van der Waals interactions, with an effective Hamaker constant of 3kT, quantitatively explain the behavior of DMDBTDMA in n-dodecane in terms of scattering as well as phase stability limits.« less

Double vibrational collision-induced Raman scattering by SF{sub 6}-N{sub 2}: Beyond the point-polarizable molecule model

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

Verzhbitskiy, I. A.; Chrysos, M.; Kouzov, A. P.

2010-11-15

Collision-induced Raman bandshapes and zeroth-order spectral moments are calculated both for the depolarized spectrum and for the extremely weak isotropic spectrum of the SF{sub 6}({nu}{sub 1}) +N{sub 2}({nu}{sub 1}) double-Raman-scattering band. A critical comparison is made with experiments conducted recently by the authors [Phys. Rev. A 81, 012702 (2010); 81, 042705 (2010)]. The study of this transition, hitherto restricted to the model framework of two point-polarizable molecules, is now completed to incorporate effects beyond the point-molecule approximation. Whereas the extended model offers a few percent improvement in the depolarized spectrum, it reveals a huge 80% increase in the isotropic spectrummore » and its moment, owing essentially to the polarizability anisotropy of N{sub 2}. For both spectra, agreement between quantum-mechanical calculations and our experiments is found, provided that the best ab initio data for the (hyper)polarizability parameters are used. This refined study shows clearly the need to include all mechanisms and data to a high level of accuracy and allows one to decide between alternatives about difficult and controversial issues such as the intermolecular potential or the sensitive Hamaker force constants.« less

Liquid film drag out in the presence of molecular forces

NASA Astrophysics Data System (ADS)

Schmidhalter, I.; Cerro, R. L.; Giavedoni, M. D.; Saita, F. A.

2013-03-01

From a practical as well as a conceptual point of view, one of the most interesting problems of physicochemical hydrodynamics is the drag out of a liquid film by a moving solid out of a pool of liquid. The basic problem, sometimes denoted the Landau-Levich problem [L. Landau and B. Levich, "Dragging of a liquid by a moving plate," Acta Physicochim. USSR 17, 42-54 (1942)], involves an interesting blend of capillary and viscous forces plus a matching of the static solution for capillary rise with a numerical solution of the film evolution equation, neglecting gravity, on the downstream region of the flow field. The original solution describes experimental data for a wide range of Capillary numbers but fails to match results for large and very small Capillary numbers. Molecular level forces are introduced to create an augmented version of the film evolution equation to show the effect of van der Waals forces at the lower range of Capillary numbers. A closed form solution for static capillary rise, including molecular forces, was matched with a numerical solution of the augmented film evolution equation in the dynamic meniscus region. Molecular forces do not sensibly modify the static capillary rise region, since film thicknesses are larger than the range of influence of van der Waals forces, but are determinant in shaping the downstream dynamic meniscus of the very thin liquid films. As expected, a quantitatively different level of disjoining pressure for different values of molecular constants remains in the very thin liquid film far downstream. Computational results for a wide range of Capillary numbers and Hamaker constants show a clear transition towards a region where the film thickness becomes independent of the coating speed.

Casimir forces from conductive silicon carbide surfaces

NASA Astrophysics Data System (ADS)

Sedighi, M.; Svetovoy, V. B.; Broer, W. H.; Palasantzas, G.

2014-05-01

Samples of conductive silicon carbide (SiC), which is a promising material due to its excellent properties for devices operating in severe environments, were characterized with the atomic force microscope for roughness, and the optical properties were measured with ellipsometry in a wide range of frequencies. The samples show significant far-infrared absorption due to concentration of charge carriers and a sharp surface phonon-polariton peak. The Casimir interaction of SiC with different materials is calculated and discussed. As a result of the infrared structure and beyond to low frequencies, the Casimir force for SiC-SiC and SiC-Au approaches very slowly the limit of ideal metals, while it saturates significantly below this limit if interaction with insulators takes place (SiC-SiO2). At short separations (<10 nm) analysis of the van der Waals force yielded Hamaker constants for SiC-SiC interactions lower but comparable to those of metals, which is of significance to adhesion and surface assembly processes. Finally, bifurcation analysis of microelectromechanical system actuation indicated that SiC can enhance the regime of stable equilibria against stiction.

Dispersion and surface functionalization of oxide nanoparticles for transparent photocatalytic and UV-protecting coatings and sunscreens

NASA Astrophysics Data System (ADS)

Faure, Bertrand; Salazar-Alvarez, German; Ahniyaz, Anwar; Villaluenga, Irune; Berriozabal, Gemma; De Miguel, Yolanda R.; Bergström, Lennart

2013-04-01

This review describes recent efforts on the synthesis, dispersion and surface functionalization of the three dominating oxide nanoparticles used for photocatalytic, UV-blocking and sunscreen applications: titania, zinc oxide, and ceria. The gas phase and liquid phase synthesis is described briefly and examples are given of how weakly aggregated photocatalytic or UV-absorbing oxide nanoparticles with different composition, morphology and size can be generated. The principles of deagglomeration are reviewed and the specific challenges for nanoparticles highlighted. The stabilization of oxide nanoparticles in both aqueous and non-aqueous media requires a good understanding of the magnitude of the interparticle forces and the surface chemistry of the materials. Quantitative estimates of the Hamaker constants in various media and measurements of the isoelectric points for the different oxide nanoparticles are presented together with an overview of different additives used to prepare stable dispersions. The structural and chemical requirements and the various routes to produce transparent photocatalytic and nanoparticle-based UV-protecting coatings, and UV-blocking sunscreens are described and discussed.

Dispersion and surface functionalization of oxide nanoparticles for transparent photocatalytic and UV-protecting coatings and sunscreens

PubMed Central

Faure, Bertrand; Salazar-Alvarez, German; Ahniyaz, Anwar; Villaluenga, Irune; Berriozabal, Gemma; De Miguel, Yolanda R; Bergström, Lennart

2013-01-01

This review describes recent efforts on the synthesis, dispersion and surface functionalization of the three dominating oxide nanoparticles used for photocatalytic, UV-blocking and sunscreen applications: titania, zinc oxide, and ceria. The gas phase and liquid phase synthesis is described briefly and examples are given of how weakly aggregated photocatalytic or UV-absorbing oxide nanoparticles with different composition, morphology and size can be generated. The principles of deagglomeration are reviewed and the specific challenges for nanoparticles highlighted. The stabilization of oxide nanoparticles in both aqueous and non-aqueous media requires a good understanding of the magnitude of the interparticle forces and the surface chemistry of the materials. Quantitative estimates of the Hamaker constants in various media and measurements of the isoelectric points for the different oxide nanoparticles are presented together with an overview of different additives used to prepare stable dispersions. The structural and chemical requirements and the various routes to produce transparent photocatalytic and nanoparticle-based UV-protecting coatings, and UV-blocking sunscreens are described and discussed. PMID:27877568

Aggregation of TiO2-graphene nanocomposites in aqueous environment: Influence of environmental factors and UV irradiation.

PubMed

Hua, Zulin; Zhang, Jianan; Bai, Xue; Ye, Zhengfang; Tang, Zhiqiang; Liang, Lu; Liu, Yuqi

2016-01-01

The aggregation kinetics of TiO2-graphene nanocomposites in aqueous solution affected by solution pH, salt types (NaCl, CaCl2) and concentrations of electrolytes, and stability induced by UV irradiation was investigated in this study. The zeta potentials and hydrodynamic diameter of the nanoparticles were used as bases to assess the aggregation behavior, and stability of nanocomposites exposed to UV irradiation was expressed in terms of supernatant concentration. The aggregation of TiO2-graphene nanoparticles in aqueous media followed the colloidal theory. TiO2-graphene nanoparticles were significantly aggregated in the presence of a diavalent cation compared with monovalent cation because the former was more capable of effective charge screening and neutralization. The calculated Hamaker constant of the TiO2-graphene nanocomposites in aqueous solution prepared in the lab was 2.31×10(-20)J. The stability of this composite nanoparticles was between those of pure TiO2 and graphene. A known intensity of UV irradiation was beneficial in the formation of TiO2-graphene nanoparticle aggregates. However, prolonged UV irradiation may stabilize the nanoparticles. These results provided critical information about the colloidal properties of the new TiO2-graphene nanocomposites and were useful in predicting the fate and transport of TiO2-graphene nanocomposites in natural water environments. Copyright © 2015 Elsevier B.V. All rights reserved.

Silicon nanoporous membranes as a rigorous platform for validation of biomolecular transport models

PubMed Central

Feinberg, Benjamin J.; Hsiao, Jeff C.; Park, Jaehyun; Zydney, Andrew L.; Fissell, William H.; Roy, Shuvo

2017-01-01

Microelectromechanical systems (MEMS), a technology that resulted from significant innovation in semiconductor fabrication, have recently been applied to the development of silicon nanopore membranes (SNM). In contrast to membranes fabricated from polymeric materials, SNM exhibit slit-shaped pores, monodisperse pore size, constant surface porosity, zero pore overlap, and sub-micron thickness. This development in membrane fabrication is applied herein for the validation of the XDLVO (extended Derjaguin, Landau, Verwey, and Overbeek) theory of membrane transport within the context of hemofiltration. In this work, the XDLVO model has been derived for the unique slit pore structure of SNM. Beta-2-microglobulin (B2M), a clinically relevant “middle molecular weight” solute in kidney disease, is highlighted in this study as the solute of interest. In order to determine interaction parameters within the XDLVO model for B2M and SNM, goniometric measurements were conducted, yielding a Hamaker constant of 4.61× 10−21 J and an acid-base Gibbs free energy at contact of 41 mJ/m2. The XDLVO model was combined with existing models for membrane sieving, with predictions of the refined model in good agreement with experimental data. Furthermore, the results show a significant difference between the XDLVO model and the simpler steric predictions typically applied in membrane transport. The refined model can be used as a tool to tailor membrane chemistry and maximize sieving or rejection of different biomolecules. PMID:28936029

Roles of additives and surface control in slurry atomization. Final project report

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

Tsai, S.C.

1992-12-31

This project studies the rheology and airblast atomization of micronized coal slurries. Its major objectives are (1) to promote further understanding of the mechanisms and the roles of additives in airblast atomization of coal water slurry (CWS), and (2) to investigate the impacts of coal particle surface properties and interparticle forces on CWS rheology. We have found that the flow behavior index (n) of a suspension (or slurry) is determined by the relative importance of the interparticle van der Waals attraction and the interparticle electrostatic repulsion. The interparticle attraction, measured by the Hamaker constant scaled to the thermal energy atmore » 25{degrees}C (A/kT), causes particle aggregation, which breaks down at high shear rates, and thus leads to slurry pseudoplastic behavior (n< 1). At a constant particle volume fraction and surface charge density (qualitatively measured by the zeta potential in deionized water), n decreases linearly as A/kT increases. The relative viscosity of the pseudoplastic suspension with respect to that of the suspending liquid is found to be independent of particle density and correlate well with the particle Peclet number which equals the particle diffusional relaxation time multiplied by shear rate. Specifically, the relative viscosities of the pseudoplastic glycerol/water coal slurry and the ethylene glycol/glycerol sand slurry, at same volume fractions as well as similar particle size distributions and liquid viscosities, as functions of the particle Peclet number fall along the same line.« less

Roles of additives and surface control in slurry atomization

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

Tsai, S.C.

1992-01-01

This project studies the rheology and airblast atomization of micronized coal slurries. Its major objectives are (1) to promote further understanding of the mechanisms and the roles of additives in airblast atomization of coal water slurry (CWS), and (2) to investigate the impacts of coal particle surface properties and interparticle forces on CWS rheology. We have found that the flow behavior index (n) of a suspension (or slurry) is determined by the relative importance of the interparticle van der Waals attraction and the interparticle electrostatic repulsion. The interparticle attraction, measured by the Hamaker constant scaled to the thermal energy atmore » 25[degrees]C (A/kT), causes particle aggregation, which breaks down at high shear rates, and thus leads to slurry pseudoplastic behavior (n< 1). At a constant particle volume fraction and surface charge density (qualitatively measured by the zeta potential in deionized water), n decreases linearly as A/kT increases. The relative viscosity of the pseudoplastic suspension with respect to that of the suspending liquid is found to be independent of particle density and correlate well with the particle Peclet number which equals the particle diffusional relaxation time multiplied by shear rate. Specifically, the relative viscosities of the pseudoplastic glycerol/water coal slurry and the ethylene glycol/glycerol sand slurry, at same volume fractions as well as similar particle size distributions and liquid viscosities, as functions of the particle Peclet number fall along the same line.« less

Foaming of Aircraft-Engine Oils as a Problem in Colloid Chemistry - 1

DTIC Science & Technology

1944-09-01

34been found at an equilibrium distance varying from 200 to 70,000 1 from each other. The Dutch school, led by Hamaker and Freundlich, considered that...0010(0) Iron (colorimetric) .003(3) .009(2) 1 .003(3) .009(2) Spectrographic Analysis (Estimated percentages of inorganic portion—not

The Effect of a Yield Stress on the Drainage of the Thin Film Between Two Colliding Newtonian Drops

NASA Astrophysics Data System (ADS)

Goel, Sachin; Ramachandran, Arun

2016-11-01

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

van der Waals torque

NASA Astrophysics Data System (ADS)

Esquivel-Sirvent, Raul; Schatz, George

2014-03-01

The theory of generalized van der Waals forces by Lifshtz when applied to optically anisotropic media predicts the existence of a torque. In this work we present a theoretical calculation of the van der Waals torque for two systems. First we consider two isotropic parallel plates where the anisotropy is induced using an external magnetic field. The anisotropy will in turn induce a torque. As a case study we consider III-IV semiconductors such as InSb that can support magneto plasmons. The calculations of the torque are done in the Voigt configuration, that occurs when the magnetic field is parallel to the surface of the slabs. The change in the dielectric function as the magnetic field increases has the effect of decreasing the van der Waals force and increasing the torque. Thus, the external magnetic field is used to tune both the force and torque. The second example we present is the use of the torque in the non retarded regime to align arrays of nano particle slabs. The torque is calculated within Barash and Ginzburg formalism in the nonretarded limit, and is quantified by the introduction of a Hamaker torque constant. Calculations are conducted between anisotropic slabs of materials including BaTiO3 and arrays of Ag nano particles. Depending on the shape and arrangement of the Ag nano particles the effective dielectric function of the array can be tuned as to make it more or less anisotropic. We show how this torque can be used in self assembly of arrays of nano particles. ref. R. Esquivel-Sirvent, G. C. Schatz, Phys. Chem C, 117, 5492 (2013). partial support from DGAPA-UNAM.

Nonadditivity of van der Waals forces on liquid surfaces

NASA Astrophysics Data System (ADS)

Venkataram, Prashanth S.; Whitton, Jeremy D.; Rodriguez, Alejandro W.

2016-09-01

We present an approach for modeling nanoscale wetting and dewetting of textured solid surfaces that exploits recently developed, sophisticated techniques for computing exact long-range dispersive van der Waals (vdW) or (more generally) Casimir forces in arbitrary geometries. We apply these techniques to solve the variational formulation of the Young-Laplace equation and predict the equilibrium shapes of liquid-vacuum interfaces near solid gratings. We show that commonly employed methods of computing vdW interactions based on additive Hamaker or Derjaguin approximations, which neglect important electromagnetic boundary effects, can result in large discrepancies in the shapes and behaviors of liquid surfaces compared to exact methods.

Near-field deformation of a liquid interface by atomic force microscopy.

PubMed

Mortagne, C; Chireux, V; Ledesma-Alonso, R; Ogier, M; Risso, F; Ondarçuhu, T; Legendre, D; Tordjeman, Ph

2017-07-01

We experiment the interaction between a liquid puddle and a spherical probe by Atomic Force Microscopy (AFM) for a probe radius R ranging from 10 nm to 30 μm. We have developed a new experimental setup by coupling an AFM with a high-speed camera and an inverted optical microscope. Interaction force-distance curves (in contact mode) and frequency shift-distance curves (in frequency modulation mode) are measured for different bulk model liquids for which the probe-liquid Hamaker constant H_{pl} is known. The experimental results, analyzed in the frame of the theoretical model developed in Phys. Rev. Lett. 108, 106104 (2012)PRLTAO0031-900710.1103/PhysRevLett.108.106104 and Phys. Rev. E 85, 061602 (2012)PLEEE81539-375510.1103/PhysRevE.85.061602, allow to determine the "jump-to-contact" critical distance d_{min} below which the liquid jumps and wets the probe. Comparison between theory and experiments shows that the probe-liquid interaction at nanoscale is controlled by the liquid interface deformation. This work shows a very good agreement between the theoretical model and the experiments and paves the way to experimental studies of liquids at the nanoscale.

Adhesion of Ferroplasma acidiphilum onto pyrite calculated from the extended DLVO theory using the van Oss-Good-Chaudhury approach.

PubMed

Farahat, Mohsen; Hirajima, Tsuyoshi; Sasaki, Keiko

2010-09-15

The adhesion behavior of Ferroplasma acidiphilum archaeon to pyrite mineral was investigated experimentally and theoretically. F. acidiphilum showed high affinity to adhere to pyrite surface at acidic regions, however low affinity was observed at neutral and alkaline regions. The microbe-mineral adhesion was assessed by the extended DLVO theory. Hamaker constants, electron donors, electron acceptors and surface charges for the microbe and the mineral were experimentally determined. The extended DLVO theory was used to explain the adhesion results. Significant changes to the pyrite surface properties after being treated with the microbial cells were observed. Pyrite lost its hydrophobic nature and became hydrophilic, the contact angle of untreated pyrite was 61 degrees and this decreased to 36 degrees after the treatment. As a consequence, the flotation experiment results showed that F. acidiphilum strain could act as a good depressant for pyrite in xanthat flotation; where in absence of F. acidiphilum cells, over 95% of pyrite can be recovered as a float. However, when the mineral was pretreated with F. acidiphilum cells, less than 20% can be recovered as a float. Copyright 2010 Elsevier Inc. All rights reserved.

Spreading of a liquid film on a substrate by the evaporation-adsorption process

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

Wayner, P.C. Jr.; Schonberg, J.

1992-09-01

The importance of evaporation followed by multilayer adsorption in comparison to liquid flow at the leading edge of a volatile spreading film is analyzed. Presuming that both flows are functions of the same chemical potential gradient, a dimensionless group (N) which delineates the relative importance of vapor diffusion flow to viscous flow on the surface is obtained: N = [rho][sub i]D[nu]x/([minus][bar A][pi]). The relative importance of vapor flow increases with the vapor-pressure dependent partial density, [rho][sub i], and diffusivity, D, of the diffusing vapor, the kinematic viscosity of the liquid, [nu], and the distance downstream from the bulk liquid region,more » x, and decreases with the Hamaker constant, 6[pi][bar A]. Using physical properties the modifiers volatile'' and nonvolatile'' can thereby be put in perspective. Changes in the interfacial force field are a function of [bar A]. The spreading velocity due to the vapor diffusion process is obtained and is found to decrease with a decrease in the interfacial force field and the bulk vapor pressure. The infinite stress at the contact line can be easily relieved by evaporation-adsorption in many systems.« less

Microscopic image processing systems for measuring nonuniform film thickness profiles

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

Liu, A.H.; Plawsky, J.L.; DasGupta, S.

1994-01-01

In very thin liquid films. transport processes are controlled by the temperature and the interfacial intermolecular force field which is a function of the film thickness profile and interfacial properties. The film thickness profile and interfacial properties can be measured most efficiently using a microscopic image processing system. IPS, to record the intensity pattern of the reflected light from the film. There are two types of IPS: an image analyzing interferometer (IAI) and/or an image scanning ellipsometer (ISE). The ISE is a novel technique to measure the two dimensional thickness profile of a nonuniform, thin film, from 1 nm upmore » to several {mu}m, in a steady state as well as in a transient state. It is a full field imaging technique which can study every point on the surface simultaneously with high spatial resolution and thickness sensitivity, i.e., it can measure and map the 2-D film thickness profile. Using the ISE, the transient thickness profile of a draining thin liquid film was measured and modeled. The interfacial conditions were determined in situ by measuring the Hamaker constant. The ISE and IAI systems are compared.« less

Near-field deformation of a liquid interface by atomic force microscopy

NASA Astrophysics Data System (ADS)

Mortagne, C.; Chireux, V.; Ledesma-Alonso, R.; Ogier, M.; Risso, F.; Ondarçuhu, T.; Legendre, D.; Tordjeman, Ph.

2017-07-01

We experiment the interaction between a liquid puddle and a spherical probe by Atomic Force Microscopy (AFM) for a probe radius R ranging from 10 nm to 30 μ m . We have developed a new experimental setup by coupling an AFM with a high-speed camera and an inverted optical microscope. Interaction force-distance curves (in contact mode) and frequency shift-distance curves (in frequency modulation mode) are measured for different bulk model liquids for which the probe-liquid Hamaker constant Hp l is known. The experimental results, analyzed in the frame of the theoretical model developed in Phys. Rev. Lett. 108, 106104 (2012), 10.1103/PhysRevLett.108.106104 and Phys. Rev. E 85, 061602 (2012), 10.1103/PhysRevE.85.061602, allow to determine the "jump-to-contact" critical distance dmin below which the liquid jumps and wets the probe. Comparison between theory and experiments shows that the probe-liquid interaction at nanoscale is controlled by the liquid interface deformation. This work shows a very good agreement between the theoretical model and the experiments and paves the way to experimental studies of liquids at the nanoscale.

Materials cohesion and interaction forces.

PubMed

Rosenholm, Jarl B; Peiponen, Kai-Erik; Gornov, Evgeny

2008-09-01

The most important methods to determine the cohesive interactions of materials and adhesive interactions between different substances are reviewed. The term cohesion is generalized as representing the unifying interaction forces of a single material and adhesion forces between different substances due to attraction. The aim is to interlink a number of frequently used interaction parameters in order to promote the understanding of materials research executed within different scientific (Material, Colloid, Sol-Gel and Nano) communities. The modern interdisciplinary research requires a removal of the historical obstacles represented by widely differing nomenclature used for the same material properties. The interaction parameters of different models are reviewed and representative numerical values computed from tabulated thermodynamic and spectroscopic material constants. The results are compared with published values. The models are grouped to represent single and two component systems, respectively. The latter group includes models for films on substrates and work of adhesion between liquids and solids. In most cases rather rough approximations have been employed, mostly relating to van der Waals substances for which the gas state is common reference state. In order to improve the predictability of the key Hamaker constant, a novel model for interpreting the dielectric spectrum is presented. The interrelation between thermodynamic, electronic, spectroscopic and dielectric parameters is illustrated by model calculations on typical inorganic materials of current interest as model compounds. The ionic solids are represented by NaCl and KCl, while ZnO, FeO, Fe(2)O(3), Fe(3)O(4), Al(2)O(3), SiO(2), TiO(2), ZrO(2), SnO, SnO(2) represent ceramic oxides and semiconductors. The model compounds thus illustrate the effect of bond type (covalent or ionic) and valence (charge number and sign) of the constituent elements. However, since the focus is placed on a phenomenological analysis, the number of examples remains self-evidently incomplete.

Evaluation of six pesticides leaching indexes using field data of herbicide application in Casablanca Valley, Chile.

PubMed

Kogan, M; Rojas, S; Gómez, P; Suárez, F; Muñoz, J F; Alister, C

2007-01-01

A field study was performed to evaluate the accuracy of six pesticide screening leaching indexes for herbicide movement. Adsorption, dissipation and soil movement were studied in a vineyard in a sandy loam soil during 2005 season. Simazine, diuron, pendimethalin, oxyfluorfen and flumioxazin were applied to bare soil at rates commonly used, and their soil concentrations throughout soil profile were determined at 0, 10, 20, 40 and 90 days after application (DAA). Herbicides were subjected to two pluviometric regimens, natural field condition and modified conditions (plus natural rainfall 180 mm). Leaching indexes utilized were: Briggs's Rf, Hamaker's Rf, LEACH, LPI, GUS and LIX. Simazine reached 120 cm, diuron 90 cm, flumioxazin 30 cm soil depth respectively. Pendimethalin and oxyfluorfen were retained up to 5 cm. None of the herbicides leaching was affected by rainfall regimen. Only flumioxazin field dissipation was clearly affected by pluviometric condition. The best representation of the herbicide soil depth movement and leaching below 15 cm soil depth were: Hamaker's Rf < Briggs's Rf < GUS < LPI, < LEACH < LIX. Field results showed a good correlation between herbicides K(d) and their soil depth movement and mass leached below 15 cm soil depth.

Theoretical Insight into Dispersion of Silica Nanoparticles in Polymer Melts.

PubMed

Wei, Zhaoyang; Hou, Yaqi; Ning, Nanying; Zhang, Liqun; Tian, Ming; Mi, Jianguo

2015-07-30

Silica nanoparticles dispersed in polystyrene, poly(methyl methacrylate), and poly(ethylene oxide) melts have been investigated using a density functional approach. The polymers are regarded as coarse-grained semiflexible chains, and the segment sizes are represented by their Kuhn lengths. The particle-particle and particle-polymer interactions are calculated with the Hamaker theory to reflect the relationship between particles and polymer melts. The effects of particle volume fraction and size on the particle dispersion have been quantitatively determined to evaluate their dispersion/aggregation behavior in these polymer melts. It is shown that theoretical predictions are generally in good agreement with the corresponding experimental results, providing the reasonable verification of particle dispersion/agglomeration and polymer depletion.

Mathematical Modeling on the Growth and Removal of Non-metallic Inclusions in the Molten Steel in a Two-Strand Continuous Casting Tundish

NASA Astrophysics Data System (ADS)

Ling, Haitao; Zhang, Lifeng; Li, Hong

2016-10-01

In the current study, mathematical models were developed to predict the transient concentration and size distribution of inclusions in a two-strand continuous casting tundish. The collision and growth of inclusions were considered. The contribution of turbulent collision and Stokes collision was evaluated. The removal of inclusions from the top surface was modeled by considering the properties of inclusions and the molten steel, such as the wettability, density, size, and interfacial tension. The effect of composition of inclusions on the collision of inclusions was included through the Hamaker constant. Meanwhile, the effect of the turbulent fluctuation velocity on the removal of inclusions at the top surface was also studied. Inclusions in steel samples were detected using automatic SEM Scanning so that the amount, morphology, size, and composition of inclusions were achieved. In the simulation, the size distribution of inclusions at the end steel refining was used as the initial size distribution of inclusions at tundish inlet. The equilibrium time when the collision and coalescence of inclusions reached the steady state was equal to 3.9 times of the mean residence time. When Stokes collision, turbulent collision, and removal by floating were included, the removal fraction of inclusions was 16.4 pct. Finally, the removal of solid and liquid inclusions, such as Al2O3, SiO2, and 12CaO·7Al2O3, at the interface between the molten steel and slag was studied. Compared with 12CaO·7Al2O3 inclusions, the silica and alumina inclusions were much easier to be removed from the molten steel and their removal fractions were 36.5 and 39.2 pct, respectively.

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.

Force Measurements in Short-Duration Hypersonic Facilities

DTIC Science & Technology

1975-11-01

method which depends upon a double differentiation of experimental data, albeit smoothed. When the motion is non -plarnar, the tricyclic method of...J.0. & Hamaker, F.M. An experimental investigation of the base pressure characteristics of (1955) non -lifting bodies of revolution at Mach numbers...AD-AO18 842 FORCE MEASUREMENTS IN SHORT-DURATION HYPERSONIC FACILITIES Leonard Bernstein, et al Advisory Group for Aerospace Research and Development

Application of the Baxter model for hard-spheres with surface adhesion to SANS data for the U(VI) - HNO{sub 3}, TBP-n-dodecane system.

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

Chiarizia, R.; Nash, K. L.; Jensen, M. P.

2003-11-11

Small-angle neutron scattering (SANS) data for the tri-n-butyl phosphate (TBP)-n-dodecane, HNO{sub 3}-UO{sub 2}(NO{sub 3}){sub 2} solvent extraction system have been interpreted using the Baxter model for hard spheres with surface adhesion. The increase in the scattering intensity in the low Q range observed when increasing amounts of HNO{sub 3} or UO{sub 2}(NO{sub 3}){sub 2} are transferred into the organic phase has been interpreted as arising from interactions between solute particles. The SANS data have been reproduced using a 12--16 {angstrom} diameter of the hard sphere, d{sub hs}, and a 5.6k{sub B}T-7.1k{sub B}T stickiness parameter, {tau}{sup -1}. When in contact withmore » an aqueous phase, TBP in n-dodecane forms small reverse micelles containing three TBP molecules. Upon extraction of water, HNO{sub 3}, and UO{sub 2}(NO{sub 3}){sub 2}, the swollen micelles interact through attractive forces between their polar cores with a potential energy of about 2k{sub B}T and an effective Hamaker constant of about 4k{sub B}T. The intermicellar attraction, under suitable conditions, leads to third-phase formation. Upon phase splitting, most of the solutes in the original organic phase (water, TBP, HNO{sub 3}, and UO{sub 2}(NO{sub 3}){sub 2}) separate in a continuous phase containing interspersed layers of n-dodecane.« less

Film and membrane-model thermodynamics of free thin liquid films.

PubMed

Radke, C J

2015-07-01

In spite of over 7 decades of effort, the thermodynamics of thin free liquid films (as in emulsions and foams) lacks clarity. Following a brief review of the meaning and measurement of thin-film forces (i.e., conjoining/disjoining pressures), we offer a consistent analysis of thin-film thermodynamics. By carefully defining film reversible work, two distinct thermodynamic formalisms emerge: a film model with two zero-volume membranes each of film tension γ(f) and a membrane model with a single zero-volume membrane of membrane tension 2γ(m). In both models, detailed thermodynamic analysis gives rise to thin-film Gibbs adsorption equations that allow calculation of film and membrane tensions from measurements of disjoining-pressure isotherms. A modified Young-Laplace equation arises in the film model to calculate film-thickness profiles from the film center to the surrounding bulk meniscus. No corresponding relation exists in the membrane model. Illustrative calculations of disjoining-pressure isotherms for water are presented using square-gradient theory. We report considerable deviations from Hamaker theory for films less than about 3 nm in thickness. Such thin films are considerably more attractive than in classical Hamaker theory. Available molecular simulations reinforce this finding. Copyright © 2014 Elsevier Inc. All rights reserved.

Hydrophobic forces in thin water films stabilized by dodecylammonium chloride

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

Yoon, R.H.; Aksoy, B.S.

1999-03-01

A thin film balance of Scheludko-Exerowa type was used to determine equilibrium film thicknesses of dodecylammonium chloride (RNH{sub 3}Cl) solutions. The data were analyzed in view of the extended DLVO theory, which considers electrostatic, van der Waals. and hydrophobic forces. The hydrophobic force was represented as a power law which is of the same form as for the van der Waals force, so that its constant K{sub 232} can be directly compared with the Hamaker constant, A{sub 232}. The results showed that at low surfactant concentrations, K{sub 232} is positive and decreases with increasing surfactant concentration, suggesting that hydrophobic forcemore » plays an important role in thin films. When the K{sub 232} versus concentration plot was extrapolated to very dilute solutions, K{sub 232} approaches 10{sup {minus}17} J, which is approximately 270 times larger than A{sub 232}. When the surfactant concentration was increased above 2 {times} 10{sup {minus}3} M, however, K{sub 232} becomes negative, indicating that hydration force appears at high surfactant concentrations. These results suggest that air bubbles are hydrophobic and the hydrophobicity decreases with increasing surfactant concentration. A TFB was used to obtain a disjoining pressure isotherm at 10{sup {minus}3} M RNH{sub 3}Cl in the presence of 10{sup {minus}4} M NaCl. The results can be fitted to the extended DLVO theory with K{sub 232} = 6 {times} 10{sup {minus}19} J. Consideration of hydrophobic force predicted a rupture thickness larger than predicted using the DLVO theory, but is substantially smaller than the experimental result. This discrepancy may be ascribed to the hydrodynamic force operating in the film thinning process.« less

Saturated Particle Transport in Porous Media: An Investigation into the Influence of Flow Direction and Particle Size Distribution

DTIC Science & Technology

2015-06-28

also as a sorbed phase on moving particulate matter such as humic substances, clay particles, colloidal silica and metal oxides [Šimůnek et al., 2006a...dynamic viscosity , µ 9.98·10-6 kg/m/sec Cation valance, zce 2 Separation distance, h 1·10-6 m Molar concentration of cations, C0 1·10-5 moles Hamaker

Heat Treatment and Properties of Iron and Steel

DTIC Science & Technology

1966-11-01

requirements for quenching media are met satisfactorily by water or aqueous solu- tions of inorganic salts such as table salt or caustic soda, or by...organic chemicals and dyestuffs, and a wide variety of inorganic chemicals. Typical applications are for out- door trim, kitchen equipment, dairy...Steel Co., Reading, Pa. (1948) 564 pages. G. A. Roberts, J. C. Hamaker Jr. and A. R. Johnson, Tool steels, 3rd edition, Am. Soc. Metals, Metals Park

Impact of environmental conditions on aggregation kinetics of hematite and goethite nanoparticles

NASA Astrophysics Data System (ADS)

Xu, Chen-yang; Deng, Kai-ying; Li, Jiu-yu; Xu, Ren-kou

2015-10-01

Hematite and goethite nanoparticles were used as model minerals to investigate their aggregation kinetics under soil environmental conditions in the present study. The hydrodynamic diameters of hematite and goethite nanoparticles were 34.4 and 66.3 nm, respectively. The positive surface charges and zeta potential values for goethite were higher than for hematite. The effective diameter for goethite was much larger than for hematite due to anisotropic sticking of needle-shaped goethite during aggregation. Moreover, the critical coagulation concentration (CCC) values of nanoparticles in solutions of NaNO3, NaCl, NaF, and Na2SO4 were 79.2, 75.0, 7.8, and 0.5 mM for hematite and they were 54.7, 62.6, 5.5, and 0.2 mM for goethite, respectively. The disparity of anions in inducing hematite or goethite aggregation lay in the differences in interfacial interactions. NO3 - and Cl- could decrease the zeta potential and enhance aggregation mainly through increasing ionic strength and compressing electric double layers of hematite and goethite nanoparticles. F- and SO4 2- highly destabilized the suspensions of nanoparticles mainly through specific adsorption and then neutralizing the positive surface charges of nanoparticles. Specific adsorption of cations could increase positive surface charges and stabilize hematite and goethite nanoparticles. The Hamaker constants of hematite and goethite nanoparticles were calculated to be 2.87 × 10-20 and 2.29 × 10-20 J-1, respectively. The predicted CCC values based on DLVO theory were consistent well with the experimentally determined CCC values in NaNO3, NaCl, NaF, and Na2SO4 systems, which demonstrated that DLVO theory could successfully predict the aggregation kinetics even when specific adsorption of ions occurred.

GaAsP Top Solar Cells for Increased Solar Conversion Efficiency

DTIC Science & Technology

1989-01-01

responsible for high surface recombination in devices made from that material. Inorganic sulfide films have been used on GaAs to reduce surface recom...same time, Hamaker et al [2] demonstrated less radiation damage in 1.93 eV AlGaAs solar cells than GaAs counterparts. In very recent results on...material. Yablonovitch and coworkers [25] have used inorganic sulfide films on GaAs to reduce surface recombination rates to that of the nearly ideal AlGaAs

Species Profiles: Life Histories and Environmental Requirements of Coastal Fishes and Invertebrates (North Atlantic), Sandworm and Bloodworm

DTIC Science & Technology

1988-04-01

industry jeopardizing its Bryan, G.W. , and P.E. Gibbs. 1979. future. Natl. Fisherman 59(9):77. Zinc--a major inorganic component of nereid polychaete...Physiol. (A) 52:501-503. search. culture methods and oral administration of a polychlorinated Hamaker , J.1. 1898. The nervous r biphenyl. Veroeff...Environ. Contam. Toxicol. 13:347- Blackburn. 198). The influence of 355. benthic infauna on exchange rates of inorganic nitrogen between sediment Goerke, H

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

PubMed

Missana; Adell

2000-10-01

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

Multiscale contact mechanics model for RF-MEMS switches with quantified uncertainties

NASA Astrophysics Data System (ADS)

Kim, Hojin; Huda Shaik, Nurul; Xu, Xin; Raman, Arvind; Strachan, Alejandro

2013-12-01

We introduce a multiscale model for contact mechanics between rough surfaces and apply it to characterize the force-displacement relationship for a metal-dielectric contact relevant for radio frequency micro-electromechanicl system (MEMS) switches. We propose a mesoscale model to describe the history-dependent force-displacement relationships in terms of the surface roughness, the long-range attractive interaction between the two surfaces, and the repulsive interaction between contacting asperities (including elastic and plastic deformation). The inputs to this model are the experimentally determined surface topography and the Hamaker constant as well as the mechanical response of individual asperities obtained from density functional theory calculations and large-scale molecular dynamics simulations. The model captures non-trivial processes including the hysteresis during loading and unloading due to plastic deformation, yet it is computationally efficient enough to enable extensive uncertainty quantification and sensitivity analysis. We quantify how uncertainties and variability in the input parameters, both experimental and theoretical, affect the force-displacement curves during approach and retraction. In addition, a sensitivity analysis quantifies the relative importance of the various input quantities for the prediction of force-displacement during contact closing and opening. The resulting force-displacement curves with quantified uncertainties can be directly used in device-level simulations of micro-switches and enable the incorporation of atomic and mesoscale phenomena in predictive device-scale simulations.

The power laws of nanoscale forces in ambient conditions

NASA Astrophysics Data System (ADS)

Chiesa, Matteo; Santos, Sergio; Lai, Chia-Yun

Power laws are ubiquitous in the physical sciences and indispensable to qualitatively and quantitatively describe physical phenomena. A nanoscale force law that accurately describes the phenomena observed in ambient conditions at several nm or fractions of a nm above a surface however is still lacking. Here we report a power law derived from experimental data and describing the interaction between an atomic force microscope AFM tip modelled as a sphere and a surface in ambient conditions. By employing a graphite surface as a model system the resulting effective power is found to be a function of the tip radius and the distance. The data suggest a nano to mesoscale transition in the power law that results in relative agreement with the distance-dependencies predicted by the Hamaker and Lifshitz theories for van der Waals forces for the larger tip radii only

Can nonadditive dispersion forces explain chain formation of nanoparticles?

NASA Astrophysics Data System (ADS)

Kwaadgras, Bas W.; Verdult, Maarten W. J.; Dijkstra, Marjolein; van Roij, René

2013-03-01

We study to what extent dielectric nanoparticles prefer to self-assemble into linear chains or into more compact structures. To calculate the Van der Waals (VdW) attraction between the clusters we use the Coupled Dipole Method (CDM), which treats each atom in the nanoparticle as an inducible oscillating point dipole. The VdW attraction then results from the full many-body interactions between the dipoles. For non-capped nanoparticles, we calculate in which configuration the VdW attraction is maximal. We find that in virtually all cases we studied, many-body effects only result in local potential minima at the linear configuration, as opposed to global ones, and that these metastable minima are in most cases rather shallow compared to the thermal energy. In this work, we also compare the CDM results with those from Hamaker-de Boer and Axilrod-Teller theory to investigate the influence of the many-body effects and the accuracy of these two approximate methods.

Brownian dynamics of sterically-stabilized colloidal suspensions

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

TeGrotenhuis, W.E.; Radke, C.J.; Denn, M.M.

1994-02-01

One application where microstructure plays a critical role is in the production of specialty ceramics, where colloidal suspensions act as precursors; here the microstructure influences the structural, thermal, optical and electrical properties of the ceramic products. Using Brownian dynamics, equilibrium and dynamic properties are calculated for colloidal suspensions that are stabilized through the Milner, Witten and Cates (1988) steric potential. Results are reported for osmotic pressures, radial distributions functions, static structure factors, and self-diffusion coefficients. The sterically-stabilized systems are also approximated by equivalent hard spheres, with good agreement for osmotic pressure and long-range structure. The suitability of the potential tomore » model the behavior of a real system is explored by comparing static structure factors calculated from Brownian dynamics simulations to those measured using SANS. Finally, the effects of Hamaker and hydrodynamic forces on calculated properties are investigated.« less

Deposition and reentrainment of Brownian particles in porous media under unfavorable chemical conditions: some concepts and applications.

PubMed

Hahn, Melinda W; O'Meliae, Charles R

2004-01-01

The deposition and reentrainment of particles in porous media have been examined theoretically and experimentally. A Brownian Dynamics/Monte Carlo (MC/BD) model has been developed that simulates the movement of Brownian particles near a collector under "unfavorable" chemical conditions and allows deposition in primary and secondary minima. A simple Maxwell approach has been used to estimate particle attachment efficiency by assuming deposition in the secondary minimum and calculating the probability of reentrainment. The MC/BD simulations and the Maxwell calculations support an alternative view of the deposition and reentrainment of Brownian particles under unfavorable chemical conditions. These calculations indicate that deposition into and subsequent release from secondary minima can explain reported discrepancies between classic model predictions that assume irreversible deposition in a primary well and experimentally determined deposition efficiencies that are orders of magnitude larger than Interaction Force Boundary Layer (IFBL) predictions. The commonly used IFBL model, for example, is based on the notion of transport over an energy barrier into the primary well and does not address contributions of secondary minimum deposition. A simple Maxwell model based on deposition into and reentrainment from secondary minima is much more accurate in predicting deposition rates for column experiments at low ionic strengths. It also greatly reduces the substantial particle size effects inherent in IFBL models, wherein particle attachment rates are predicted to decrease significantly with increasing particle size. This view is consistent with recent work by others addressing the composition and structure of the first few nanometers at solid-water interfaces including research on modeling water at solid-liquid interfaces, surface speciation, interfacial force measurements, and the rheological properties of concentrated suspensions. It follows that deposition under these conditions will depend on the depth of the secondary minimum and that some transition between secondary and primary depositions should occur when the height of the energy barrier is on the order of several kT. When deposition in secondary minima predominates, observed deposition should increase with increasing ionic strength, particle size, and Hamaker constant. Since an equilibrium can develop between bound and bulk particles, the collision efficiency [alpha] can no longer be considered a constant for a given physical and chemical system. Rather, in many cases it can decrease over time until it eventually reaches zero as equilibrium is established.

Stability of a thin elastic film close to a rigid plate

NASA Astrophysics Data System (ADS)

Chen, Yi-chao; Fried, Eliot; Tortorelli, Daniel A.

2012-05-01

We introduce and study a variational model for the formation of patterns induced by bringing the surface of a rigid plate into contact proximity with the surface of a polymeric film strongly bonded to a substrate. We treat the film as a homogeneous, isotropic, hyperelastic solid and account for both attractive and repulsive van der Waals interactions between the film surface and the proximate contractor. Aside from confirming the intuitive expectation that the presence of a repulsive contribution to the van der Waals potential should stabilize patterns that form on the film surface, we elucidate the role of repulsive interactions at the onset of instability. For a recently proposed van der Waals potential involving two parameters, the Hamaker constant A and the equilibrium spacing de, our results include estimates for the critical gap dc at which undulations appear on the film surface, the corresponding wavenumber kc of the undulations, and a lower bound fm for the attractive force needed to induce the undulations. To leading order, dc˜(Ah/μ), kc˜1/h, and fm˜(μ3A/h3), where h and μ denote the thickness and infinitesimal shear modulus of the film. Correction terms due to repulsive interactions indicate that, while kc may be influenced by μ and A, dc may also be influenced by de. Granted knowledge of μ and A, our results also suggest a simple experimental protocol for determining de.

Interaction Forces and Aggregation Rates of Colloidal Latex Particles in the Presence of Monovalent Counterions.

PubMed

Montes Ruiz-Cabello, F Javier; Trefalt, Gregor; Oncsik, Tamas; Szilagyi, Istvan; Maroni, Plinio; Borkovec, Michal

2015-06-25

Force profiles and aggregation rates involving positively and negatively charged polystyrene latex particles are investigated in monovalent electrolyte solutions, whereby the counterions are varied within the Hofmeister series. The force measurements are carried out with the colloidal probe technique, which is based on the atomic force microscope (AFM), while the aggregation rates are measured with time-resolved multiangle light scattering. The interaction force profiles cannot be described by classical DLVO theory, but an additional attractive short-ranged force must be included. An exponential force profile with a decay length of about 0.5 nm is consistent with the measured forces. Furthermore, the Hamaker constants extracted from the measured force profiles are substantially smaller than the theoretical values calculated from dielectric spectra. The small surface roughness of the latex particles (below 1 nm) is probably responsible for this deviation. Based on the measured force profiles, the aggregation rates can be predicted without adjustable parameters. The measured absolute aggregation rates in the fast regime are somewhat lower than the calculated ones. The critical coagulation concentration (CCC) agrees well with the experiment, including the respective shifts of the CCC within the Hofmeister series. These shifts are particularly pronounced for the positively charged particles. However, the consideration of the additional attractive short-ranged force is essential to quantify these shifts correctly. In the slow regime, the calculated rates are substantially smaller than the experimental ones. This disagreement is probably related to surface charge heterogeneities.

Determination of the saturated film conductivity to improve the EMFX model in describing the soil hydraulic properties over the entire moisture range

NASA Astrophysics Data System (ADS)

Wang, Yunquan; Ma, Jinzhu; Guan, Huade; Zhu, Gaofeng

2017-06-01

Difficulty in measuring hydraulic conductivity, particularly under dry conditions, calls for methods of predicting the conductivity from easily obtained soil properties. As a complement to the recently published EMFX model, a method based on two specific suction conditions is proposed to estimate saturated film conductivity from the soil water retention curve. This method reduces one fitting parameter in the previous EMFX model, making it possible to predict the hydraulic conductivity from the soil water retention curve over the complete moisture range. Model performance is evaluated with published data of soils in a broad texture range from sand to clay. The testing results indicate that 1) the modified EMFX model (namely the EMFX-K model), incorporating both capillary and adsorption forces, provides good agreement with the conductivity data over the entire moisture range; 2) a value of 0.5 for the tortuosity factor in the EMFX-K model as that in the Mualem's model gives comparable estimation of the relative conductivity associated with the capillary force; and 3) a value of -1.0 × 10-20 J for the Hamaker constant, rather than the commonly used value of -6.0 × 10-20 J, appears to be more appropriate to represent solely the effect of the van der Waals forces and to predict the film conductivity. In comparison with the commonly used van Genuchten-Mualem model, the EMFX-K model significantly improves the prediction of hydraulic conductivity under dry conditions. The sensitivity analysis result suggests that the uncertainty in the film thickness estimation is important in explaining the model underestimation of hydraulic conductivity for the soils with fine texture, in addition to the uncertainties from the measurements and the model structure. High quality data that cover the complete moisture range for a variety of soil textures are required to further test the method.

Simulation of nanopowder compaction in terms of granular dynamics

NASA Astrophysics Data System (ADS)

Boltachev, G. Sh.; Volkov, N. B.

2011-07-01

The uniaxial compaction of nanopowders is simulated using the granular dynamics in the 2D geometry. The initial arrangement of particles is represented by (i) a layer of particles executing Brownian motion (isotropic structures) and (ii) particles falling in the gravity field (anisotropic structures). The influence of size effects and the size of a model cell on the properties of the structures are studied. The compaction of the model cell is simulated with regard to Hertz elastic forces between particles, Cattaneo-Mindlin-Deresiewicz shear friction forces, and van der Waals-Hamaker dispersion forces of attraction. Computation is performed for monodisperse powders with particle sizes ranging from 10 to 400 nm and for "cohesionless" powder, in which attractive forces are absent. It is shown that taking into account dispersion forces makes it possible to simulate the size effect in the nanopowder compaction: the compressibility of the nanopowder drops as the particles get finer. The mean coordination number and the axial and lateral pressures in the powder systems are found, and the effect of the density and isotropy of the initial structure on the compressibility is analyzed. The applicability of well-known Rumpf's formula for the size effect is discussed.

The search for the hydrophobic force law

PubMed Central

Hammer, Malte U.; Anderson, Travers H.; Chaimovich, Aviel; Scott Shell, M.

2010-01-01

After nearly 30 years of research on the hydrophobic interaction, the search for the hydrophobic force law is still continuing. Indeed, there are more questions than answers, and the experimental data are often quite different for nominally similar conditions, as well as, apparently, for nano-, micro-, and macroscopic surfaces. This has led to the conclusion that the experimentally observed force–distance relationships are either a combination of different ‘fundamental’ interactions, or that the hydrophobic force-law, if there is one, is complex – depending on numerous parameters. The only unexpectedly strong attractive force measured in all experiments so far has a range of D ≈ 100–200 Å, increasing roughly exponentially down to ~ 10–20 Å and then more steeply down to adhesive contact at D = 0 or, for power-law potentials, effectively at D ≈ 2 Å. The measured forces in this regime (100–200 Å) and especially the adhesive forces are much stronger, and have a different distance-dependence from the continuum VDW force (Lifshitz theory) for non-conducting dielectric media. We suggest a three-regime force-law for the forces observed between hydrophobic surfaces: In the first, from 100–200 Å to thousands of ångstroms, the dominating force is created by complementary electrostatic domains or patches on the apposing surfaces and/or bridging vapour cavities; a ‘pure’ but still not well-understood ‘long-range hydrophobic force’ dominates the second regime from ~ 150 to ~ 15 Å, possibly due to an enhanced Hamaker constant associated with the ‘proton-hopping’ polarizability of water; while below ~ 10–15 Å to contact there is another ‘pure short-range hydrophobic force’ related to water structuring effects associated with surface-induced changes in the orientation and/or density of water molecules and H-bonds at the water–hydrophobic interface. We present recent SFA and other experimental results, as well as a simplified model for water based on a spherically-symmetric potential that is able to capture some basic features of hydrophobic association. Such a model may be useful for theoretical studies of the HI over the broad range of scales observed in SFA experiments. PMID:21043428

The search for the hydrophobic force law.

PubMed

Hammer, Malte U; Anderson, Travers H; Chaimovich, Aviel; Shell, M Scott; Israelachvili, Jacob

2010-01-01

After nearly 30 years of research on the hydrophobic interaction, the search for the hydrophobic force law is still continuing. Indeed, there are more questions than answers, and the experimental data are often quite different for nominally similar conditions, as well as, apparently, for nano-, micro-, and macroscopic surfaces. This has led to the conclusion that the experimentally observed force-distance relationships are either a combination of different 'fundamental' interactions, or that the hydrophobic force-law, if there is one, is complex--depending on numerous parameters. The only unexpectedly strong attractive force measured in all experiments so far has a range of D approximately 100-200 angstroms, increasing roughly exponentially down to approximately 10-20 angstroms and then more steeply down to adhesive contact at D = 0 or, for power-law potentials, effectively at D approximately 2 angstroms. The measured forces in this regime (100-200 angstroms) and especially the adhesive forces are much stronger, and have a different distance-dependence from the continuum VDW force (Lifshitz theory) for non-conducting dielectric media. We suggest a three-regime force-law for the forces observed between hydrophobic surfaces: In the first, from 100-200 angstroms to thousands of angstroms, the dominating force is created by complementary electrostatic domains or patches on the apposing surfaces and/or bridging vapour cavities; a 'pure' but still not well-understood 'long-range hydrophobic force' dominates the second regime from approximately 150 to approximately 15 angstroms, possibly due to an enhanced Hamaker constant associated with the 'proton-hopping' polarizability of water; while below approximately 10-15 anstroms to contact there is another 'pure short-range hydrophobic force' related to water structuring effects associated with surface-induced changes in the orientation and/or density of water molecules and H-bonds at the water-hydrophobic interface. We present recent SFA and other experimental results, as well as a simplified model for water based on a spherically-symmetric potential that is able to capture some basic features of hydrophobic association. Such a model may be useful for theoretical studies of the HI over the broad range of scales observed in SFA experiments.

FY04 LDRD Final Report: Interaction of Viruses with Membranes and Soil Materials

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

Schaldach, C M

2005-02-08

The influence of ionic strength on the electrostatic interaction of viruses with environmentally relevant surfaces was determined for three viruses, MS2, Q{beta} and Norwalk. The environmental surface is modeled as charged Gouy-Chapman plane with and without a finite atomistic region (patch) of opposite charge. The virus is modeled as a particle comprised of ionizable amino acid residues in a shell surrounding a spherical RNA core of negative charge, these charges being compensated for by a Coulomb screening due to intercalated ions. Surface potential calculations for each of the viruses show excellent agreement with electrophoretic mobility and zeta potential measurements asmore » a function of pH. The results indicate that the electrostatic interaction between the virus and the planar surface, mitigated by the ionic strength of the solute, is dependent upon the spatial distribution of the amino acid residues in the different viruses. Specifically, the order of interaction energies with the patch (MS2 greatest at 5 mM; Norwalk greatest at 20 mM) is dependent upon the ionic strength of the fluid as a direct result of the viral coat amino acid distributions. We have developed an atomistic-scale method of calculation of the binding energy of viruses to surfaces including electrostatic, van der Waals, electron-overlap repulsion, surface charge polarization (images), and hydrophobic effects. The surface is treated as a Gouy-Chapman plane allowing inclusion of pH and ionic strength effects on the electrostatic potential at each amino acid charge. Van der Waals parameters are obtained from the DREIDING force field and from Hamaker constant measurements. We applied this method to the calculation of the Cowpea Mosaic Virus (CPMV), a negatively charged virus at a pH of 7.0, and find that the viral-gold surface interaction is very long range for both signs of surface potential, a result due to the electrostatic forces. For a negative (Au) surface potential of -0.05 volts, a nearly 4 eV barrier must be overcome to reach 1 nm from the surface.« less

Physicochemical controls on absorbed water film thickness in unsaturated geological media

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

Tokunaga, T.

2011-06-14

Adsorbed water films commonly coat mineral surfaces in unsaturated soils and rocks, reducing flow and transport rates. Therefore, it is important to understand how adsorbed film thickness depends on matric potential, surface chemistry, and solution chemistry. Here, the problem of adsorbed water film thickness is examined through combining capillary scaling with the Derjaguin-Landau-Verwey-Overbeek (DLVO) theory. Novel aspects of this analysis include determining capillary influences on film thicknesses, and incorporating solution chemistry-dependent electrostatic potential at air-water interfaces. Capillary analysis of monodisperse packings of spherical grains provided estimated ranges of matric potentials where adsorbed films are stable, and showed that pendular ringsmore » within drained porous media retain most of the 'residual' water except under very low matric potentials. Within drained pores, capillary contributions to thinning of adsorbed films on spherical grains are shown to be small, such that DLVO calculations for flat surfaces are suitable approximations. Hamaker constants of common soil minerals were obtained to determine ranges of the dispersion component to matric potential-dependent film thickness. The pressure component associated with electrical double layer forces was estimated using the compression and linear superposition approximations. The pH-dependent electrical double layer pressure component is the dominant contribution to film thicknesses at intermediate values of matric potential, especially in lower ionic strength solutions (< 10 mol m{sup -3}) on surfaces with higher magnitude electrostatic potentials (more negative than - 50 mV). Adsorbed water films are predicted to usually range in thickness from 1 to 20 nm in drained pores and fractures of unsaturated environments.« less

Physicochemical controls on adsorbed water film thickness in unsaturated geological media

NASA Astrophysics Data System (ADS)

Tokunaga, Tetsu K.

2011-08-01

Adsorbed water films commonly coat mineral surfaces in unsaturated soils and rocks, reducing flow and transport rates. Therefore, it is important to understand how adsorbed film thickness depends on matric potential, surface chemistry, and solution chemistry. Here the problem of adsorbed water film thickness is examined by combining capillary scaling with the Derjaguin-Landau-Verwey-Overbeek (DLVO) theory. Novel aspects of this analysis include determining capillary influences on film thicknesses and incorporating solution chemistry-dependent electrostatic potential at air-water interfaces. Capillary analysis of monodisperse packings of spherical grains provided estimated ranges of matric potentials where adsorbed films are stable and showed that pendular rings within drained porous media retain most of the "residual" water except under very low matric potentials. Within drained pores, capillary contributions to thinning of adsorbed films on spherical grains are shown to be small, such that DLVO calculations for flat surfaces are suitable approximations. Hamaker constants of common soil minerals were obtained to determine ranges of the dispersion component to matric potential-dependent film thickness. The pressure component associated with electrical double-layer forces was estimated using the compression and linear superposition approximations. The pH-dependent electrical double-layer pressure component is the dominant contribution to film thicknesses at intermediate values of matric potential, especially in lower ionic strength solutions (<10 mol m-3) on surfaces with higher-magnitude electrostatic potentials (more negative than ≈-50 mV). Adsorbed water films are predicted to usually range in thickness from ≈1 to 20 nm in drained pores and fractures of unsaturated environments.

Probing Atom-Surface Interactions by Diffraction of Bose-Einstein Condensates

NASA Astrophysics Data System (ADS)

Bender, Helmar; Stehle, Christian; Zimmermann, Claus; Slama, Sebastian; Fiedler, Johannes; Scheel, Stefan; Buhmann, Stefan Yoshi; Marachevsky, Valery N.

2014-01-01

In this article, we analyze the Casimir-Polder interaction of atoms with a solid grating and the repulsive interaction between the atoms and the grating in the presence of an external laser source. The Casimir-Polder potential is evaluated exactly in terms of Rayleigh reflection coefficients and via an approximate Hamaker approach. The laser-tuned repulsive interaction is given in terms of Rayleigh transmission coefficients. The combined potential landscape above the solid grating is probed locally by diffraction of Bose-Einstein condensates. Measured diffraction efficiencies reveal information about the shape of the potential landscape in agreement with the theory based on Rayleigh decompositions.

Responsive and Hybrid Nanostructures through Self-Assembly of Polymeric Macroions, Inorganic Nanoclusters and Dyes

NASA Astrophysics Data System (ADS)

Groehn, Franziska; Duering, Jasmin; Moldenhauer, Daniel; Interdisciplinary CenterMolecular Materials Team

2013-03-01

Recently we have introduced a novel type of self-assembled ``nano-objects'' in solution: From the association of macroions and multivalent counterions well-defined and stable structures in the shape of spheres, rod, rings, hollow spheres and networks can form in solution. Using light-addressable counterions, it is possible to switch the particle size through UV irradiation. Building blocks can be of organic or inorganic nature: Using gold or cadmium sulphide nanoclusters results in hybrid assemblies which also functionally combine nanoparticle and dye. Thermodynamic studies in combination with a detailed structural characterization yield insight into driving forces and structural control in the self-assembly process. Crucial is the delicate interplay of ionic, π - π , and Hamaker interaction. The concept is particularly attractive, as it relies on general physical effects - that is the combination of different non-covalent interactions - and hence is very versatile. Great potential of the structures presented lies in areas such as catalysis and energy conversion.

Localization of excitons by molecular layer formation in a polymer film

NASA Astrophysics Data System (ADS)

Chattopadhyay, S.; Datta, A.

2005-10-01

Spin coated films of atactic polystyrene of two different molecular weights have been studied with uv spectroscopy and x-ray reflectivity, the film thickness (d) varying from ˜2Rg to ˜12Rg where Rg is the unperturbed radius of gyration of the polymer. uv extinction due to the pure electronic singlet A1g1→E1u1 is seen to increase with d-1 for 4Rg⩽d⩽12Rg (region 1). This suggests excitonic interaction along d . The variation of total exciton energy (E) of the A1g→E1u singlet with d in region 1 can be well explained by formation of linear J -aggregates of polystyrene molecules, in a lattice with spacing “ a ” (in Å) Rg0 at d≃4Rg , where the exciton is still delocalized. Layering reduces the Hamaker constant (AH) , deciding the cohesive force, between the layers and this reduction, ΔAH , is found to be less than Ae at d⩾4Rg , where iAe/ℏ is the amplitude for exciton transfer between neighboring molecules in the excitonic lattice of region 1. On the other hand, ΔAH in region 2 starts from a value larger than Ae . This indicates that ΔAH acts as a barrier between the layer, which localizes the exciton within the layers.

Recycle polymer characterization and adhesion modeling

NASA Astrophysics Data System (ADS)

Holbery, James David

Contaminants from paper product producers that adversely affect fiber yield have been collected from mills located in three North American geographic regions. Samples have been fractionated using a modified solvent extraction process and subsequently quantitatively characterized and it was found that agglomerates were comprised of the following: approximately 30% extractable polymeric material, 25--35% fiber, 12--15% inorganic material, 15% non-extractable high molecular-weight polyethylene or cross-linked polymers, and 2--4% starch residue. Three representative polymers, paraffin, low-molecular weight polyethylene, and a commercial hot-melt adhesive were selected for further analysis to model the attractive and repulsive behavior using Scanning Probe Microscopy in an aqueous cell. Scanning force probes were characterized using an original technique utilizing a nano-indentation apparatus that is non-destructive and is accurate to within 10% for probes with force constants as low as 1 N/m. Surface force measurements were performed between a Poly (Styrene/30% Butyl Methacrylate) sphere and substrates produced from paraffin, polyethylene, and a commercial hot-melt adhesive in solutions ranging in NaF ionic concentrations from 0.001M to 1M. Reasonable theoretical agreement with experimental data has been shown between a combined model applying van der Waals force contributions using the Derjaguin approximation and electrostatic contributions as predicted by a Debye-Huckel linearization of the Poisson-Boltzmann equation utilizing Hamaker constants derived from critical surface energies determined from Zisman and Lifshitz-van der Waals energy approaches. This model has been applied to measured data and indicates the strength of adhesion for the hot-melt to be 0.14 nN while that of paraffin is 1.9 nN and polyethylene 2.8 nN. Paraffin and polyethylene are 13.5 and 20 times greater in attraction than the hot-melt adhesive. Hot-melt adhesive repulsion is predicted to be 220 pN while for paraffin it is 9.1 nN and polyethylene 12.2 nN, a factor of 41 and 55 greater for paraffin and polyethylene, respectively. Decay lengths for repulsion is fit to be 2.3 nm for hotmelt indicating, approximately one-third that of paraffin and polyethylene. Johnson-Kendall-Roberts contact mechanic theory for viscoelastic materials has been applied with reasonable accuracy, particularly in experiments performed in solutions, to model the approach snap-in magnitude and detachment forces between sphere and substrate. Two representative commercial agglomeration formulations have been analyzed to determine the impact on adhesion and detachment forces although at room temperature, no measurable effect was identified.

Growth and dielectric properties of ZnO nanoparticles deposited by using electrophoretic deposition

NASA Astrophysics Data System (ADS)

Chung, Yoonsung; Park, Hyejin; Kim, Dong-Joo; Cho, Sung Baek; Yoon, Young Soo

2015-05-01

The deposition behavior of ZnO nanoparticles on metal plates and conductive fabrics was investigated using electrophoretic deposition (EPD). The deposition kinetics on both metal plates and fabrics were examined using the Hamaker equation. Fabric substrates give more deposited weight than flat substrates due to their rougher shape and higher surface area. The morphologies and the structures of the deposited ZnO layers showed uniform deposition without any preferred orientation on both substrates. The dielectric properties of the ZnO layers formed by using EPD showed values that were reduced, but comparable to those of bulk ZnO. This result suggests that EPD is a convenient method to deposit functional oxides on flexible substrates.

Formation and Restacking of Disordered Smectite Osmotic Hydrates

DOE PAGES

Gilbert, Benjamin; Comolli, Luis R.; Tinnacher, Ruth M.; ...

2015-12-01

Clay swelling, an important phenomenon in natural systems, can dramatically affect the properties of soils and sediments. Something of particular interest in low-salinity, saturated systems are osmotic hydrates, forms of smectite in which the layer separation greatly exceeds the thickness of a single smectite layer due to the intercalation of water. In situ X-ray diffraction (XRD) studies have shown a strong link between ionic strength and average interlayer spacing in osmotic hydrates but also indicate the presence of structural disorder that has not been fully described. In the present study the structural state of expanded smectite in sodium chloride solutionsmore » was investigated by combining very low electron dose, high-resolution cryogenic-transmission electron microscopy observations with XRD experiments. Wyoming smectite (SWy-2) was embedded in vitreous ice to evaluate clay structure in aqua. Lattice-fringe images showed that smectite equilibrated in aqueous, low-ionic-strength solutions, exists as individual smectite layers, osmotic hydrates composed of parallel layers, as well as disordered layer conformations. There was no evidence found here for edge-to-sheet attractions, but significant variability in interlayer spacing was observed. Whether this variation could be explained by a dependence of the magnitude of long-range cohesive (van der Waals) forces on the number of layers in a smectite particle was investigated here. Calculations of the Hamaker constant for layer-layer interactions showed that van der Waals forces may span at least five layers plus the intervening water and confirmed that forces vary with layer number. The drying of the disordered osmotic hydrates induced re-aggregation of the smectite to form particles that exhibited coherent scattering domains. Clay disaggregation and restacking may be considered as an example of oriented attachment, with the unusual distinction that it may be cycled repeatedly by changing solution conditions.« less

Critical evaluation of dipolar, acid-base and charge interactions I. Electron displacement within and between molecules, liquids and semiconductors.

PubMed

Rosenholm, Jarl B

2017-09-01

Specific dipolar, acid-base and charge interactions involve electron displacements. For atoms, single bonds and molecules electron displacement is characterized by electronic potential, absolute hardness, electronegativity and electron gap. In addition, dissociation, bonding, atomization, formation, ionization, affinity and lattice enthalpies are required to quantify the electron displacement in solids. Semiconductors are characterized by valence and conduction band energies, electron gaps and average Fermi energies which in turn determine Galvani potentials of the bulk, space charge layer and surface states. Electron displacement due to interaction between (probe) molecules, liquids and solids are characterized by parameters such as Hamaker constant, solubility parameter, exchange energy density, surface tension, work of adhesion and immersion. They are determined from permittivity, refractive index, enthalpy of vaporization, molar volume, surface pressure and contact angle. Moreover, acidic and basic probes may form adducts which are adsorbed on target substrates in order to establish an indirect measure of polarity, acidity, basicity or hydrogen bonding. Acidic acceptor numbers (AN), basic donor numbers (DN), acidic and basic "electrostatic" (E) and "covalent" (C) parameters determined by enthalpy of adduct formation are considered as general acid-base scales. However, the formal grounds for assignments as dispersive, Lifshitz-van der Waals, polar, acid, base and hydrogen bond interactions are inconsistent. Although correlations are found no of the parameters are mutually fully compatible and moreover the enthalpies of acid-base interaction do not correspond to free energies. In this review the foundations of different acid-base parameters relating to electron displacement within and between (probe) molecules, liquids and (semiconducting) solids are thoroughly investigated and their mutual relationships are evaluated. Copyright © 2017 Elsevier B.V. All rights reserved.

Formation and Restacking of Disordered Smectite Osmotic Hydrates

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

Gilbert, Benjamin; Comolli, Luis R.; Tinnacher, Ruth M.

Clay swelling, an important phenomenon in natural systems, can dramatically affect the properties of soils and sediments. Something of particular interest in low-salinity, saturated systems are osmotic hydrates, forms of smectite in which the layer separation greatly exceeds the thickness of a single smectite layer due to the intercalation of water. In situ X-ray diffraction (XRD) studies have shown a strong link between ionic strength and average interlayer spacing in osmotic hydrates but also indicate the presence of structural disorder that has not been fully described. In the present study the structural state of expanded smectite in sodium chloride solutionsmore » was investigated by combining very low electron dose, high-resolution cryogenic-transmission electron microscopy observations with XRD experiments. Wyoming smectite (SWy-2) was embedded in vitreous ice to evaluate clay structure in aqua. Lattice-fringe images showed that smectite equilibrated in aqueous, low-ionic-strength solutions, exists as individual smectite layers, osmotic hydrates composed of parallel layers, as well as disordered layer conformations. There was no evidence found here for edge-to-sheet attractions, but significant variability in interlayer spacing was observed. Whether this variation could be explained by a dependence of the magnitude of long-range cohesive (van der Waals) forces on the number of layers in a smectite particle was investigated here. Calculations of the Hamaker constant for layer-layer interactions showed that van der Waals forces may span at least five layers plus the intervening water and confirmed that forces vary with layer number. The drying of the disordered osmotic hydrates induced re-aggregation of the smectite to form particles that exhibited coherent scattering domains. Clay disaggregation and restacking may be considered as an example of oriented attachment, with the unusual distinction that it may be cycled repeatedly by changing solution conditions.« less

Self assembly, mobilization, and flotation of crude oil contaminated sand particles as granular shells on gas bubbles in water.

PubMed

Tansel, Berrin; Boglaienko, Daria

2017-01-01

Contaminant fate and transport studies and models include transport mechanisms for colloidal particles and dissolved ions which can be easily moved with water currents. However, mobilization of much larger contaminated granular particles (i.e., sand) in sediments have not been considered as a possible mechanism due to the relatively larger size of sand particles and their high bulk density. We conducted experiments to demonstrate that oil contaminated granular particles (which exhibit hydrophobic characteristics) can attach on gas bubbles to form granular shells and transfer from the sediment phase to the water column. The interactions and conditions necessary for the oil contaminated granular particles to self assemble as tightly packed granular shells on the gas bubbles which transfer from sediment phase to the water column were evaluated both experimentally and theoretically for South Louisiana crude oil and quartz sand particles. Analyses showed that buoyancy forces can be adequate to move the granular shell forming around the air bubbles if the bubble radius is above 0.001mm for the sand particles with 0.28mm diameter. Relatively high magnitude of the Hamaker constant for the oil film between sand and air (5.81×10 -20 J for air-oil-sand) indicates that air bubbles have high affinity to attach on the oil film that is on the sand particles in comparison to attaching to the sand particles without the oil film in water (1.60×10 -20 J for air-water-sand). The mobilization mechanism of the contaminated granular particles with gas bubbles can occur in natural environments resulting in transfer of granular particles from sediments to the water column. Copyright © 2016 Elsevier B.V. All rights reserved.

Exploring Thermoresponsive Affinity Agents to Enhance Microdialysis Sampling Efficiency of Proteins

NASA Astrophysics Data System (ADS)

Vasicek, Thaddeus

Affinity agents increase microdialysis protein relative recovery, yet they have not seen widespread use within the microdialysis community due to their additional instrumentation requirements and prohibitive cost. This dissertation describes new affinity agents for microdialysis that require no additional instrumentation to use, have nearly 100% particle recovery, are 7 times more cost efficient than alternatives, and have low specificity enabling their use for a wide variety of proteins. Initially gold nanoparticles were chosen as an affinity ligand support due to their high surface area/volume ratio and colloidal stability. Poly (N-isopropylacrylamide) was immobilized to the gold nanoparticles, which served to sterically stabilize the particles and to act as a generic, reversible protein capture agent. A method was developed to reproducibly vary and quantify poly (N-isopropylacrylamide) graft density from 0.09 to 0.40 ligands/nm2 on gold nanoparticles. During characterization of the polymer coated gold nanoparticles, irreversible particle agglomeration was observed at low polymer graft density in ionic solutions, which prevented further development as a protein capture agent. Poly (N-isopropylacrylamide) nanogels, which have low nonspecific adsorption, low interparticle attractive forces owing to the low curvature of the particle, and a low Hamaker constant, were synthesized to overcome the agglomeration problem. A generic protein affinity ligand cibacron blue, was immobilized to the nanogels, which enabled rapid determination of particle recovery. The perfusion of the nanogels through a microdialysis probe was optimized yielding 100% particle recovery using a combination of a syringe and peristaltic pump. The microdialysis collection efficiency of CCL2, a physiologically relevant cytokine, was increased 3-fold with addition of the nanogel to the microdialysis perfusion fluid. The reduction in instrumentation requirements, low cost, and low specificity obtained with the new affinity agents will lead to increased affinity agent use for microdiaylsis protein sampling.

Development of a picture of the van der Waals interaction energy between clusters of nanometer-range particles

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

Arunachalam, V.; Marlow, W.H.; Lu, J.X.

1998-09-01

The importance of the long-range Lifshitz{endash}van der Waals interaction energy between condensed bodies is well known. However, its implementation for interacting bodies that are highly irregular and separated by distances varying from contact to micrometers has received little attention. As part of a study of collisions of irregular aerosol particles, an approach based on the Lifshitz theory of van der Waals interaction has been developed to compute the interaction energy between a sphere and an aggregate of spheres at all separations. In the first part of this study, the iterated sum-over-dipole interactions between pairs of approximately spherical molecular clusters aremore » compared with the Lifshitz and Lifshitz-Hamaker interaction energies for continuum spheres of radii equal to those of the clusters{close_quote} circumscribed spheres and of the same masses as the clusters. The Lifshitz energy is shown to converge to the iterated dipolar energy for quasispherical molecular clusters for sufficiently large separations, while the energy calculated by using the Lifshitz-Hamaker approach does not. Next, the interaction energies between a contacting pair of these molecular clusters and a third cluster in different relative positions are calculated first by coupling all molecules in the three-cluster system and second by ignoring the interactions between the molecules of the adhering clusters. The error calculated by this omission is shown to be very small, and is an indication of the error in computing the long-range interaction energy between a pair of interacting spheres and a third sphere as a simple sum over the Lifshitz energies between individual, condensed-matter spheres. This Lifshitz energy calculation is then combined with the short-separation, nonsingular van der Waals energy calculation of Lu, Marlow, and Arunachalam, to provide an integrated picture of the van der Waals energy from large separations to contact. {copyright} {ital 1998} {ital The American Physical Society}« less

Effects of Ether vs. Ester Linkage on Lipid Bilayer Structure and Water Permeability

PubMed Central

Guler, S. Deren; Ghosh, D. Dipon; Pan, Jianjun; Matthai, John C.; Zeidel, Mark L.; Nagle, John F.; Tristram-Nagle, Stephanie

2009-01-01

The structure and water permeability of bilayers composed of the ether linked lipid, dihexadecylphosphatidylcholine (DHPC), were studied and compared with the ester linked lipid, dipalmitoylphosphaditdylcholine (DPPC). Wide angle x-ray scattering on oriented bilayers in the fluid phase indicate that the area per lipid A is slightly larger for DHPC than for DPPC. Low angle x-ray scattering yields A=65.1Å2 for DHPC at 48°C. LAXS data provide the bending modulus, KC=4.2×10−13erg, and the Hamaker parameter H=7.2×10−14erg for the van der Waals attractive interaction between neighboring bilayers. For the low temperature phases with ordered hydrocarbon chains, we confirm the transition from a tilted Lß’ gel phase to an untilted, interdigitated LßI phase as the sample hydrates at 20°C. Our measurement of water permeability, Pf=0.022 cm/s at 48 °C for fluid phase DHPC is slightly smaller than that of DPPC, (Pf=0.027 cm/s) at 50 °C, consistent with our triple slab theory of permeability. PMID:19416724

Capillary wave theory of adsorbed liquid films and the structure of the liquid-vapor interface

NASA Astrophysics Data System (ADS)

MacDowell, Luis G.

2017-08-01

In this paper we try to work out in detail the implications of a microscopic theory for capillary waves under the assumption that the density is given along lines normal to the interface. Within this approximation, which may be justified in terms of symmetry arguments, the Fisk-Widom scaling of the density profile holds for frozen realizations of the interface profile. Upon thermal averaging of capillary wave fluctuations, the resulting density profile yields results consistent with renormalization group calculations in the one-loop approximation. The thermal average over capillary waves may be expressed in terms of a modified convolution approximation where normals to the interface are Gaussian distributed. In the absence of an external field we show that the phenomenological density profile applied to the square-gradient free energy functional recovers the capillary wave Hamiltonian exactly. We extend the theory to the case of liquid films adsorbed on a substrate. For systems with short-range forces, we recover an effective interface Hamiltonian with a film height dependent surface tension that stems from the distortion of the liquid-vapor interface by the substrate, in agreement with the Fisher-Jin theory of short-range wetting. In the presence of long-range interactions, the surface tension picks up an explicit dependence on the external field and recovers the wave vector dependent logarithmic contribution observed by Napiorkowski and Dietrich. Using an error function for the intrinsic density profile, we obtain closed expressions for the surface tension and the interface width. We show the external field contribution to the surface tension may be given in terms of the film's disjoining pressure. From literature values of the Hamaker constant, it is found that the fluid-substrate forces may be able to double the surface tension for films in the nanometer range. The film height dependence of the surface tension described here is in full agreement with results of the capillary wave spectrum obtained recently in computer simulations, and the predicted translation mode of surface fluctuations reproduces to linear order in field strength an exact solution of the density correlation function for the Landau-Ginzburg-Wilson Hamiltonian in an external field.

Calculation of noncontact forces between silica nanospheres.

PubMed

Sun, Weifu; Zeng, Qinghua; Yu, Aibing

2013-02-19

Quantification of the interactions between nanoparticles is important in understanding their dynamic behaviors and many related phenomena. In this study, molecular dynamics simulation is used to calculate the interaction potentials (i.e., van der Waals attraction, Born repulsion, and electrostatic interaction) between two silica nanospheres of equal radius in the range of 0.975 to 5.137 nm. The results are compared with those obtained from the conventional Hamaker approach, leading to the development of modified formulas to calculate the van der Waals attraction and Born repulsion between nanospheres, respectively. Moreover, Coulomb's law is found to be valid for calculating the electrostatic potential between nanospheres. The developed formulas should be useful in the study of the dynamic behaviors of nanoparticle systems under different conditions.

Hydrodynamic effects and receptor interactions of platelets and their aggregates in linear shear flow.

PubMed Central

Tandon, P; Diamond, S L

1997-01-01

We have modeled platelet aggregation in a linear shear flow by accounting for two body collision hydrodynamics, platelet activation and receptor biology. Considering platelets and their aggregates as unequal-sized spheres with DLVO interactions (psi(platelet) = -15 mV, Hamaker constant = 10(-19) J), detailed hydrodynamics provided the flow field around the colliding platelets. Trajectory calculations were performed to obtain the far upstream cross-sectional area and the particle flux through this area provided the collision frequency. Only a fraction of platelets brought together by a shearing fluid flow were held together if successfully bound by fibrinogen cross-bridging GPIIb/IIIa receptors on the platelet surfaces. This fraction was calculated by modeling receptor-mediated aggregation using the formalism of Bell (Bell, G. I. 1979. A theoretical model for adhesion between cells mediated by multivalent ligands. Cell Biophys. 1:133-147) where the forward rate of bond formation dictated aggregation during collision and was estimated from the diffusional limited rate of lateral association of receptors multiplied by an effectiveness factor, eta, to give an apparent rate. For a value of eta = 0.0178, we calculated the overall efficiency (including both receptor binding and hydrodynamics effects) for equal-sized platelets with 50,000 receptors/platelet to be 0.206 for G = 41.9 s(-1), 0.05 for G = 335 s(-1), and 0.0086 for G = 1920 s(-1), values which are in agreement with efficiencies determined from initial platelet singlet consumption rates in flow through a tube. From our analysis, we predict that bond formation proceeds at a rate of approximately 0.1925 bonds/microm2 per ms, which is approximately 50-fold slower than the diffusion limited rate of association. This value of eta is also consistent with a colloidal stability of unactivated platelets at low shear rates. Fibrinogen was calculated to mediate aggregation quite efficiently at low shear rates but not at high shear rates. Although secondary collisions (an orbitlike trajectory) form only a small fraction of the total number of collisions, they become important at high shear rates (>750 s(-1)), as these are the only collisions that provide enough time to result in successful aggregate formation mediated by fibrinogen. The overall method provides a hydrodynamic and receptor correction of the Smoluchowski collision kernel and gives a first estimate of eta for the fibrinogen-GPIIb/IIIa cross-bridging of platelets. We also predict that secondary collisions extend the shear rate range at which fibrinogen can mediate successful aggregation. Images FIGURE 2 PMID:9370476

Analysis of dispersive interactions at polymer/TiAlN interfaces by means of dynamic force spectroscopy.

PubMed

Wiesing, M; de Los Arcos, T; Gebhard, M; Devi, A; Grundmeier, G

2017-12-20

The structural and electronic origins of the interactions between polycarbonate and sputter deposited TiAlN were analysed using a combined electron and force spectroscopic approach. Interaction forces were measured by means of dynamic force spectroscopy and the surface polarizability was analysed by X-ray photoelectron valence band spectroscopy. It could be shown that the adhesive interactions between polycarbonate and TiAlN are governed by van der Waals forces. Different surface cleansing and oxidizing treatments were investigated and the effect of the surface chemistry on the force interactions was analysed. Intense surface oxidation resulted in a decreased adhesion force by a factor of two due to the formation of a 2 nm thick Ti 0.21 Al 0.45 O surface oxide layer. The origin of the residual adhesion forces caused by the mixed Ti 0.21 Al 0.45 O surface oxide was clarified by considering the non-retarded Hamaker coefficients as calculated by Lifshitz theory, based on optical data from Reflection Electron Energy Loss Spectroscopy. This disclosed increased dispersion forces of Ti 0.21 Al 0.45 O due to the presence of Ti(iv) ions and related Ti 3d band optical transitions.

A review on data and predictions of water dielectric spectra for calculations of van der Waals surface forces.

PubMed

Wang, Jianlong; Nguyen, Anh V

2017-12-01

Van der Waals forces are one of the important components of intermolecular, colloidal and surface forces governing many phenomena and processes. The latest examples include the colloidal interactions between hydrophobic colloids and interfaces in ambient (non-degassed) water in which dissolved gases and nanobubbles are shown to affect the van der Waals attractions significantly. The advanced computation of van der Waals forces in aqueous systems by the Lifshitz theory requires reliable data for water dielectric spectra. In this paper we review the available predictions of water dielectric spectra for calculating colloidal and surface van der Waals forces. Specifically, the available experimental data for the real and imaginary parts of the complex dielectric function of liquid water in the microwave, IR and UV regions and various corresponding predictions of the water spectra are critically reviewed. The data in the UV region are critical, but the available predictions are still based on the outdated data obtained in 1974 (for frequency only up to 25.5eV). We also reviewed and analysed the experimental data obtained for the UV region in 2000 (for frequency up to 50eV) and 2015 (for frequency up to 100eV). The 1974 and 2000 data require extrapolations to higher frequencies needed for calculating the van der Waals forces but remain inaccurate. Our analysis shows that the latest data of 2015 do not require the extrapolation and can be used to reliably calculate van der Waals forces. The most recent water dielectric spectra gives the (non-retarded) Hamaker constant, A=5.20×10 -20 J, for foam films of liquid water. This review provides the most updated and reliable water dielectric spectra to compute van der Waals forces in aqueous systems. Copyright © 2017 Elsevier B.V. All rights reserved.

Colloidal Dispersions in Polymeric Media: Interparticle Forces, Microstructure and Rheology

NASA Astrophysics Data System (ADS)

Ndong, Rose Seynabou

To enhance properties of the ultimate materials, melt processed polymers are commonly filled with colloidal particles, such as inorganic oxides. Dispersing such particles in a melt is generally difficult due to the strong van der Waals attractions. These attractive forces can be modulated through surface modifications such as polymer adsorption and grafting. Indeed, the relative viscosity of 430 nm Al2O3particles stabilized by end-tethered poly(dimethylsiloxane) (PDMS) in PDMS melts decreases with increasing graft density and molecular weight as expected, but also with increasing molecular weight of the melt, contrary to well established theories. The relative steady shear viscosity exhibits neither a low shear limit nor a yield stress, but follows a power law characterized by relative high shear viscosity (eta infinity/mu) and a structural relaxation time (tau). The measured structural time can be correlated reasonably well with a characteristic relaxation time, tauo, estimated by equating the viscous resistance with the maximum attractive force. We further explored the significance of this power law with TiO2 nanoparticles in PDMS melts with a reduction in size and an increase in Hamaker constant. Bare, octadecyl-coated, and 9k-PDMS grafted TiO2 particles dispersed in neat and binary PDMS melts revealed behavior similar to that of the large alumina particles, as the increased strength of van der Waals forces offset the reduction in size. To complete the study ZrO2 nanoparticles were dispersed in solution of associative polymers and characterized by small amplitude oscillatory shear. The data exhibits two relaxation modes: Maxwellian behavior at high frequency imparted by the associating polymers and a power law spectrum at low frequency from the particles. The timescales and volume fraction dependence reflect the attractions between particles with adsorbed polymer layers dispersed in a percolated network of associative polymers. Together these studies demonstrate the range and origin of the rheology possible with particles dispersed in polymeric media.

Reversible uptake of water on NaCl nanoparticles at relative humidity below deliquescence point observed by noncontact environmental atomic force microscopy

NASA Astrophysics Data System (ADS)

Bruzewicz, Derek A.; Checco, Antonio; Ocko, Benjamin M.; Lewis, Ernie R.; McGraw, Robert L.; Schwartz, Stephen E.

2011-01-01

The behavior of NaCl nanoparticles as a function of relative humidity (RH) has been characterized using non-contact environmental atomic force microscopy (e-AFM) to measure the heights of particles deposited on a prepared hydrophobic surface. Cubic NaCl nanoparticles with sides of 35 and 80 nm were found to take up water reversibly with increasing RH well below the bulk deliquescence relative humidity (DRH) of 75% at 23° C, and to form a liquid-like surface layer of thickness 2 to 5 nm, with measurable uptake ( >2 nm increase in particle height) beginning at 70% RH. The maximum thickness of the layer increased with increasing RH and increasing particle size over the range studied. The liquid-like behavior of the layer was indicated by a reversible rounding at the upper surface of the particles, fit to a parabolic cross-section, where the ratio of particle height to maximum radius of curvature increases from zero (flat top) at 68% RH to 0.7 ± 0.3 at 74% RH. These observations, which are consistent with a reorganization of mass on the solid NaCl nanocrystal at RH below the DRH, suggest that the deliquescence of NaCl nanoparticles is more complex than an abrupt first-order phase transition. The height measurements are consistent with a phenomenological model that assumes favorable contributions to the free energy of formation of a liquid layer on solid NaCl due both to van der Waals interactions, which depend partly upon the Hamaker constant, A_{{film}}, of the interaction between the thin liquid film and the solid NaCl, and to a longer-range electrostatic interaction over a characteristic length of persistence, ξ; the best fit to the data corresponded to A_{{film}} = 1 kT and ξ = 2.33 nm.

Localization of excitons by molecular layer formation in a polymer film

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

Chattopadhyay, S.; Datta, A.

2005-10-15

Spin coated films of atactic polystyrene of two different molecular weights have been studied with uv spectroscopy and x-ray reflectivity, the film thickness (d) varying from {approx}2R{sub g} to {approx}12R{sub g} where R{sub g} is the unperturbed radius of gyration of the polymer. uv extinction due to the pure electronic singlet {sup 1}A{sub 1g}{yields}{sup 1}E{sub 1u} is seen to increase with d{sup -1} for 4R{sub g}{<=}d{<=}12R{sub g} (region 1). This suggests excitonic interaction along d. The variation of total exciton energy (E) of the A{sub 1g}{yields}E{sub 1u} singlet with d in region 1 can be well explained by formation ofmore » linear J-aggregates of polystyrene molecules, in a lattice with spacing 'a' (in A) R{sub g}0 at d{approx_equal}4R{sub g}, where the exciton is still delocalized. Layering reduces the Hamaker constant (A{sub H}), deciding the cohesive force, between the layers and this reduction, {delta}A{sub H}, is found to be less than A{sub e} at d{>=}4R{sub g}, where iA{sub e}/({Dirac_h}/2{pi}) is the amplitude for exciton transfer between neighboring molecules in the excitonic lattice of region 1. On the other hand, {delta}A{sub H} in region 2 starts from a value larger than A{sub e}. This indicates that {delta}A{sub H} acts as a barrier between the layer, which localizes the exciton within the layers.« less

Turbulent coagulation of particles smaller than the length scales of turbulence and equilibrium sorption of phenanthrene to clay: Implications for pollutant transport in the estuarine water column

NASA Astrophysics Data System (ADS)

Brunk, Brett Kenneth

1997-11-01

Pollutant and particle transport in estuaries is affected by a multitude of physical, chemical and biological processes. In this research the importance of equilibrium sorption and turbulent coagulation were studied. Sorption in estuaries was modeled using phenanthrene, bacterial extracellular polymer and kaolinite clay as surrogates for a hydrophobic organic pollutant, dissolved organic matter and inorganic suspended sediment, respectively. Experiments over a range of estuarine salinities showed that ionic strength had the largest effect on the extent of sorption, while the effect of extracellular polymer coatings on the mineral surfaces was insignificant. Further calculations using typical estuarine suspended sediment concentrations indicated that equilibrium sorption could not fully account for the solid/solution phase distribution of hydrophobic organic compounds in the estuarine water column. For particles that are small compared to the length scales of turbulence, the rate of coagulation is related to the dynamics of the smallest turbulent eddies since they have the highest shear rate. Experimental and theoretical effort focused on determining the coagulation rate of spherical particles in isotropic turbulence. A pair diffusion approximation valid for rapidly fluctuating flows was used to calculate the rate of coagulation in a randomly varying isotropic linear flow field. Dynamic simulations of particle coagulation in Gaussian turbulence were computed over a range of representative values of particle-particle interactions (i.e, hydrodynamic interactions and van der Waals attraction) and total strain (i.e., the product of the strain rate and its time scale). The computed coagulation rates for isotropic turbulence differed from analytical approximations valid at large and small total strain. As expected, particle interactions were found to be significant. Experimental measurements of coagulation in grid-generated turbulence were obtained by measuring the loss of singlet particles from an initially monodisperse suspension as a function of turbulence intensity. Model predictions based on the particle Hamaker constant and spatial distribution of turbulence in the reactor agreed well with the experiments without the use of any fitting parameters. The close agreement of simulations and observations indicate the numerical model has successfully captured the relevant physics that governs the aggregation of colloidal particles in turbulent flows. This work is the first successful description of turbulent coagulation. Given the ubiquity of turbulent suspensions in engineered and natural systems, the ability to quantitatively describe particle behavior under these conditions is expected to have considerable utility.

Tension Amplification in Molecular Brushes in Solutions and on Substrates

PubMed Central

Panyukov, Sergey; Zhulina, Ekaterina B.; Sheiko, Sergei S.; Randall, Greg C.; Brock, James; Rubinstein, Michael

2009-01-01

Molecular bottle-brushes are highly branched macromolecules with side chains densely grafted to a long polymer backbone. The brush-like architecture allows focusing of the side-chain tension to the backbone and its amplification from the picoNewton to nanoNewton range. The backbone tension depends on the overall molecular conformation and the surrounding environment. Here we study the relation between the tension and conformation of the molecular brushes in solutions, melts, and on substrates. In solutions, we find that the backbone tension in dense brushes with side chains attached to every backbone monomer is on the order of f0N3/8 in athermal solvents, f0N1/3 in θ-solvents, and f0 in poor solvents and melts, where N is the degree of polymerization of side chains, f0≃ kBT/b is the maximum tension in side chains, b is the Kuhn length, kB is Boltzmann constant, and T is absolute temperature. Depending on the side chain length and solvent quality, molecular brushes in solutions develop tension on the order of 10–100 picoNewtons, which is sufficient to break hydrogen bonds. Significant amplification of tension occurs upon adsorption of brushes onto a substrate. On a strongly attractive substrate, maximum tension in the brush backbone is ~ f0N, reaching values on the order of several nanoNewtons which exceed the strength of a typical covalent bond. At low grafting density and high spreading parameter the cross-sectional profile of adsorbed molecular brush is approximately rectangular with thicknes ~bA/S, where A is the Hamaker constant and S is the spreading parameter. At a very high spreading parameter (S > A), the brush thickness saturates at monolayer ~ b. At a low spreading parameter, the cross-sectional profile of adsorbed molecular brush has triangular tent-like shape. In the cross-over between these two opposite cases, covering a wide range of parameter space, the adsorbed molecular brush consists of two layers. Side chains in the lower layer gain surface energy due to the direct interaction with the substrate, while the second layer spreads on the top of the first layer. Scaling theory predicts that this second layer has a triangular cross-section with width R ~ N3/5 and height h ~ N2/5. Using self-consistent field theory we calculate the cap profile y (x) = h (1 − x2/R2)2, where x is the transverse distance from the backbone. The predicted cap shape is in excellent agreement with both computer simulation and experiment. PMID:19673133

Continuum Mean-Field Theories for Molecular Fluids, and Their Validity at the Nanoscale

NASA Astrophysics Data System (ADS)

Hanna, C. B.; Peyronel, F.; MacDougall, C.; Marangoni, A.; Pink, D. A.; AFMNet-NCE Collaboration

2011-03-01

We present a calculation of the physical properties of solid triglyceride particles dispersed in an oil phase, using atomic- scale molecular dynamics. Significant equilibrium density oscillations in the oil appear when the interparticle distance, d , becomes sufficiently small, with a global minimum in the free energy found at d ~ 1.4 nm. We compare the simulation values of the Hamaker coefficient with those of models which assume that the oil is a homogeneous continuum: (i) Lifshitz theory, (ii) the Fractal Model, and (iii) a Lennard-Jones 6-12 potential model. The last-named yields a minimum in the free energy at d ~ 0.26 nm. We conclude that, at the nanoscale, continuum Lifshitz theory and other continuum mean-field theories based on the assumption of homogeneous fluid density can lead to erroneous conclusions. CBH supported by NSF DMR-0906618. DAP supported by NSERC. This work supported by AFMNet-NCE.

Tailoring Interfacial Properties by Controlling Carbon Nanotube Coating Thickness on Glass Fibers Using Electrophoretic Deposition.

PubMed

Tamrakar, Sandeep; An, Qi; Thostenson, Erik T; Rider, Andrew N; Haque, Bazle Z Gama; Gillespie, John W

2016-01-20

The electrophoretic deposition (EPD) method was used to deposit polyethylenimine (PEI) functionalized multiwall carbon nanotube (CNT) films onto the surface of individual S-2 glass fibers. By varying the processing parameters of EPD following Hamaker's equation, the thickness of the CNT film was controlled over a wide range from 200 nm to 2 μm. The films exhibited low electrical resistance, providing evidence of coating uniformity and consolidation. The effect of the CNT coating on fiber matrix interfacial properties was investigated through microdroplet experiments. Changes in interfacial properties due to application of CNT coatings onto the fiber surface with and without a CNT-modified matrix were studied. A glass fiber with a 2 μm thick CNT coating and the unmodified epoxy matrix showed the highest increase (58%) in interfacial shear strength (IFSS) compared to the baseline. The increase in the IFSS was proportional to CNT film thickness. Failure analysis of the microdroplet specimens indicated higher IFSS was related to fracture morphologies with higher levels of surface roughness. EPD enables the thickness of the CNT coating to be adjusted, facilitating control of fiber/matrix interfacial resistivity. The electrical sensitivity provides the opportunity to fabricate a new class of sizing with tailored interfacial properties and the ability to detect damage initiation.

Three-dimensional simulations of nanopowder compaction processes by granular dynamics method.

PubMed

Boltachev, G Sh; Lukyashin, K E; Shitov, V A; Volkov, N B

2013-07-01

In order to describe and to study the processes of cold compaction within the discrete element method a three-dimensional model of nanosized powder is developed. The elastic forces of repulsion, the tangential forces of "friction" (Cattaneo-Mindlin), and the dispersion forces of attraction (van der Waals-Hamaker), as well as the formation and destruction of hard bonds between the individual particles are taken into account. The monosized powders with the size of particles in the range 10-40 nm are simulated. The simulation results are compared to the experimental data of the alumina nanopowders compaction. It is shown that the model allows us to reproduce experimental data reliably and, in particular, describes the size effect in the compaction processes. A number of different external loading conditions is used in order to perform the theoretical and experimental researches. The uniaxial compaction (the closed-die compaction), the biaxial (radial) compaction, and the isotropic compaction (the cold isostatic pressing) are studied. The real and computed results are in a good agreement with each other. They reveal a weak sensitivity of the oxide nanopowders to the loading condition (compaction geometry). The application of the continuum theory of the plastically hardening porous body, which is usually used for the description of powders, is discussed.

Adhesive behavior of micro/nano-textured surfaces

NASA Astrophysics Data System (ADS)

Zhang, Yuyan; Wang, Xiaoli; Li, Hanqing; Wang, Ben

2015-02-01

A numerical model of the adhesive contact between a rigid smooth sphere and an elastic textured surface based on the Lennard-Jones interatomic potential law and the Hamaker summation method is established. Textures are considered by introducing the texture height distribution into the gap equation. Simulation results show that the pull-off force on textured surfaces decreases compared to that on smooth surfaces. Furthermore, effects of sphere-shaped textures on reducing adhesion are more obvious than cylinder-shaped or cube-shaped textures when the coverage area ratio, maximum height and interval of textures are fixed. For surfaces with sphere-shaped textures, variation trends of the mean pull-off force with texture density are not monotonous, and there exists a certain range of texture densities in which the mean pull-off force is small and its variation is insignificant. In addition, the pull-off force depends also on the maximum height and radius of textures. On one hand, if the texture radius is fixed, larger maximum height results in smaller pull-off force, and if the maximum height is fixed, the pull-off force tends to increase almost linearly with increases in texture radius. On the other hand, if the height-diameter ratio of textures is fixed, the pull-off force reaches a minimum at an optimum texture radius or maximum height.

Long-range wetting transparency on top of layered metal-dielectric substrates

NASA Astrophysics Data System (ADS)

Noginov, M. A.; Barnakov, Yuri A.; Liberman, Vladimir; Prayakarao, Srujana; Bonner, Carl E.; Narimanov, Evgenii E.

2016-06-01

It has been recently shown that scores of physical and chemical phenomena (including spontaneous emission, scattering and Förster energy transfer) can be controlled by nonlocal dielectric environments provided by metamaterials with hyperbolic dispersion and simpler metal/dielectric structures. At this time, we have researched van der Waals interactions and experimentally studied wetting of several metallic, dielectric and composite multilayered substrates. We have found that the wetting angle of water on top of MgF2 is highly sensitive to the thickness of the MgF2 layer and the nature of the underlying substrate that could be positioned as far as ~100 nm beneath the water/MgF2 interface. We refer to this phenomenon as long range wetting transparency. The latter effect cannot be described in terms of the most basic model of dispersion van der Waals-London forces based on pair-wise summation of dipole-dipole interactions across an interface or a gap separating the two media. We infer that the experimentally observed gradual change of the wetting angle with increase of the thickness of the MgF2 layer can possibly be explained by the distance dependence of the Hamaker function (describing the strength of interaction), which originates from retardation of electromagnetic waves at the distances comparable to a wavelength.

Three-dimensional simulations of nanopowder compaction processes by granular dynamics method

NASA Astrophysics Data System (ADS)

Boltachev, G. Sh.; Lukyashin, K. E.; Shitov, V. A.; Volkov, N. B.

2013-07-01

In order to describe and to study the processes of cold compaction within the discrete element method a three-dimensional model of nanosized powder is developed. The elastic forces of repulsion, the tangential forces of “friction” (Cattaneo-Mindlin), and the dispersion forces of attraction (van der Waals-Hamaker), as well as the formation and destruction of hard bonds between the individual particles are taken into account. The monosized powders with the size of particles in the range 10-40 nm are simulated. The simulation results are compared to the experimental data of the alumina nanopowders compaction. It is shown that the model allows us to reproduce experimental data reliably and, in particular, describes the size effect in the compaction processes. A number of different external loading conditions is used in order to perform the theoretical and experimental researches. The uniaxial compaction (the closed-die compaction), the biaxial (radial) compaction, and the isotropic compaction (the cold isostatic pressing) are studied. The real and computed results are in a good agreement with each other. They reveal a weak sensitivity of the oxide nanopowders to the loading condition (compaction geometry). The application of the continuum theory of the plastically hardening porous body, which is usually used for the description of powders, is discussed.

Long-range wetting transparency on top of layered metal-dielectric substrates.

PubMed

Noginov, M A; Barnakov, Yuri A; Liberman, Vladimir; Prayakarao, Srujana; Bonner, Carl E; Narimanov, Evgenii E

2016-06-21

It has been recently shown that scores of physical and chemical phenomena (including spontaneous emission, scattering and Förster energy transfer) can be controlled by nonlocal dielectric environments provided by metamaterials with hyperbolic dispersion and simpler metal/dielectric structures. At this time, we have researched van der Waals interactions and experimentally studied wetting of several metallic, dielectric and composite multilayered substrates. We have found that the wetting angle of water on top of MgF2 is highly sensitive to the thickness of the MgF2 layer and the nature of the underlying substrate that could be positioned as far as ~100 nm beneath the water/MgF2 interface. We refer to this phenomenon as long range wetting transparency. The latter effect cannot be described in terms of the most basic model of dispersion van der Waals-London forces based on pair-wise summation of dipole-dipole interactions across an interface or a gap separating the two media. We infer that the experimentally observed gradual change of the wetting angle with increase of the thickness of the MgF2 layer can possibly be explained by the distance dependence of the Hamaker function (describing the strength of interaction), which originates from retardation of electromagnetic waves at the distances comparable to a wavelength.

Long-range wetting transparency on top of layered metal-dielectric substrates

PubMed Central

Noginov, M. A.; Barnakov, Yuri A.; Liberman, Vladimir; Prayakarao, Srujana; Bonner, Carl E.; Narimanov, Evgenii E.

2016-01-01

It has been recently shown that scores of physical and chemical phenomena (including spontaneous emission, scattering and Förster energy transfer) can be controlled by nonlocal dielectric environments provided by metamaterials with hyperbolic dispersion and simpler metal/dielectric structures. At this time, we have researched van der Waals interactions and experimentally studied wetting of several metallic, dielectric and composite multilayered substrates. We have found that the wetting angle of water on top of MgF2 is highly sensitive to the thickness of the MgF2 layer and the nature of the underlying substrate that could be positioned as far as ~100 nm beneath the water/MgF2 interface. We refer to this phenomenon as long range wetting transparency. The latter effect cannot be described in terms of the most basic model of dispersion van der Waals-London forces based on pair-wise summation of dipole-dipole interactions across an interface or a gap separating the two media. We infer that the experimentally observed gradual change of the wetting angle with increase of the thickness of the MgF2 layer can possibly be explained by the distance dependence of the Hamaker function (describing the strength of interaction), which originates from retardation of electromagnetic waves at the distances comparable to a wavelength. PMID:27324650

Multiscale deformation of a liquid surface in interaction with a nanoprobe

NASA Astrophysics Data System (ADS)

Ledesma-Alonso, R.; Tordjeman, P.; Legendre, D.

2012-06-01

The interaction between a nanoprobe and a liquid surface is studied. The surface deformation depends on physical and geometric parameters, which are depicted by employing three dimensionless parameters: Bond number Bo, modified Hamaker number Ha, and dimensionless separation distance D*. The evolution of the deformation is described by a strongly nonlinear partial differential equation, which is solved by means of numerical methods. The dynamic analysis of the liquid profile points out the existence of a critical distance Dmin*, below which the irreversible wetting process of the nanoprobe happens. For D*≥Dmin*, the numerical results show the existence of two deformation profiles, one stable and another unstable from the energetic point of view. Different deformation length-scales, characterizing the stable liquid equilibrium interface, define the near- and the far-field deformation zones, where self-similar profiles are found. Finally, our results allow us to provide simple relationships between the parameters, which leads to determine the optimal conditions when performing atomic force microscope measurements over liquids.

Investigation for Molecular Attraction Impact Between Contacting Surfaces in Micro-Gears

NASA Astrophysics Data System (ADS)

Yang, Ping; Li, Xialong; Zhao, Yanfang; Yang, Haiying; Wang, Shuting; Yang, Jianming

2013-10-01

The aim of this research work is to provide a systematic method to perform molecular attraction impact between contacting surfaces in micro-gear train. This method is established by integrating involute profile analysis and molecular dynamics simulation. A mathematical computation of micro-gear involute is presented based on geometrical properties, Taylor expression and Hamaker assumption. In the meantime, Morse potential function and the cut-off radius are introduced with a molecular dynamics simulation. So a hybrid computational method for the Van Der Waals force between the contacting faces in micro-gear train is developed. An example is illustrated to show the performance of this method. The results show that the change of Van Der Waals force in micro-gear train has a nonlinear characteristic with parameters change such as the modulus of the gear and the tooth number of gear etc. The procedure implies a potential feasibility that we can control the Van Der Waals force by adjusting the manufacturing parameters for gear train design.

Electrosteric stabilization of heteroflocculating suspensions and its application to the processing of self-compacting engineered cementitious composites

NASA Astrophysics Data System (ADS)

Kong, Hyun-Joon

This dissertation investigates a dispersion/stabilization technique to improve the fluidity of heteroflocculating concentrated suspensions, and applies the technique to develop self-compacting Engineered Cementitious Composites (ECC), defined as a cementitious material which compacts without any external consolidation in the fresh state, while exhibiting strain-hardening performance in the hardened state. To meet the criteria of micromechanical design to achieve the ductile performance and processing design to attain high fluidity, this work has focused on preparing cement suspensions with low viscosity and high cohesiveness at a particle loading determined by the micromechanical design. Therefore, the goal of this work is to quantify how to adjust the strong flocculation between cement particles due to electrostatic and van der Waals attractive forces. For this purpose, a strong polyelectrolyte, melamine formaldehyde sulfonate (MFS), to disperse the oppositely-charged particles present in the cement dispersion, is combined with a non-ionic polymer, hydroxypropylmethylcellulose (HPMC). The combination of these two polymers to prevent re-flocculation leads to "complementary electrosteric dispersion/ stabilization". With these polymers, suspensions with the desired fluidity for processing are obtained. To quantify the roles of the two polymers in imparting stability, a heteroflocculating model suspension was developed, which facilitates the control of the interactions typical of cement suspensions, but without irreversible hydration. This model suspension is composed of alumina and silica particles, which bear surface potentials of opposite sign at intermediate pHs, as well as has a comparable magnitude of the Hamaker constant as compared to cement particles. As a result, the model system displays not only van der Waals attraction but also electrostatic attraction between dissimilar particles. Rheological studies of the model system stabilized by MFS and HPMC show behavior identical to that of the cement suspensions, allowing the model system to be used to interpret the role of the stabilizers in altering the system microstructure and fluidity. Finally, the self-compacting performance of fresh ECC mixes made with the electrosterically stabilized fresh matrix mix and the ductile strain-hardening performance of the hardened ECC were demonstrated.

Diffusion of microspheres in shear flow near a wall: use to measure binding rates between attached molecules.

PubMed Central

Pierres, A; Benoliel, A M; Zhu, C; Bongrand, P

2001-01-01

The rate and distance-dependence of association between surface-attached molecules may be determined by monitoring the motion of receptor-bearing spheres along ligand-coated surfaces in a flow chamber (Pierres et al., Proc. Natl. Acad. Sci. U.S.A. 95:9256-9261, 1998). Particle arrests reveal bond formation, and the particle-to-surface distance may be estimated from the ratio between the velocity and the wall shear rate. However, several problems are raised. First, data interpretation requires extensive computer simulations. Second, the relevance of standard results from fluid mechanics to micrometer-size particles separated from surfaces by nanometer distances is not fully demonstrated. Third, the wall shear rate must be known with high accuracy. Here we present a simple derivation of an algorithm permitting one to simulate the motion of spheres near a plane in shear flow. We check that theoretical predictions are consistent with the experimental dependence of motion on medium viscosity or particle size, and the requirement for equilibrium particle height distribution to follow Boltzman's law. The determination of the statistical relationship between particle velocity and acceleration allows one to derive the wall shear rate with 1-s(-1) accuracy and the Hamaker constant of interaction between the particle and the wall with a sensitivity better than 10(-21) J. It is demonstrated that the correlation between particle height and mean velocity during a time interval Deltat is maximal when Deltat is about 0.1-0.2 s for a particle of 1.4-microm radius. When the particle-to-surface distance ranges between 10 and 40 nm, the particle height distribution may be obtained with a standard deviation ranging between 8 and 25 nm, provided the average velocity during a 160-ms period of time is determined with 10% accuracy. It is concluded that the flow chamber allows one to detect the formation of individual bonds with a minimal lifetime of 40 ms in presence of a disruptive force of approximately 5 pN and to assess the distance dependence within the tens of nanometer range. PMID:11423392

Formation of organized nanostructures from unstable bilayers of thin metallic liquids

NASA Astrophysics Data System (ADS)

Khenner, Mikhail; Yadavali, Sagar; Kalyanaraman, Ramki

2011-12-01

Dewetting of pulsed-laser irradiated, thin (<20 nm), optically reflective metallic bilayers on an optically transparent substrate with a reflective support layer is studied within the lubrication equations model. A steady-state bilayer film thickness (h) dependent temperature profile is derived based on the mean substrate temperature estimated from the elaborate thermal model of transient heating and melting/freezing. Large thermocapillary forces are observed along the plane of the liquid-liquid and liquid-gas interfaces due to this h-dependent temperature, which, in turn, is strongly influenced by the h-dependent laser light reflection and absorption. Consequently the dewetting is a result of the competition between thermocapillary and intermolecular forces. A linear analysis of the dewetting length scales established that the non-isothermal calculations better predict the experimental results as compared to the isothermal case within the bounding Hamaker coefficients. Subsequently, a computational non-linear dynamics study of the dewetting pathway was performed for Ag/Co and Co/Ag bilayer systems to predict the morphology evolution. We found that the systems evolve towards formation of different morphologies, including core-shell, embedded, or stacked nanostructure morphologies.

Pollenkitt wetting mechanism enables species-specific tunable pollen adhesion.

PubMed

Lin, Haisheng; Gomez, Ismael; Meredith, J Carson

2013-03-05

Plant pollens are microscopic particles exhibiting a remarkable breadth of complex solid surface features. In addition, many pollen grains are coated with a viscous liquid, "pollenkitt", thought to play important roles in pollen dispersion and adhesion. However, there exist no quantitative studies of the effects of solid surface features or pollenkitt on adhesion of pollen grains, and it remains unclear what role these features play in pollen adhesion and transport. We report AFM adhesion measurements of five pollen species with a series of test surfaces in which each pollen has a unique solid surface morphology and pollenkitt volume. The results indicate that the combination of surface morphology (size and shape of echinate or reticulate features) with the pollenkitt volume provides pollens with a remarkably tunable adhesion to surfaces. With pollenkitt removed, pollen grains had relatively low adhesion strengths that were independent of surface chemistry and scalable with the tip radius of the pollen's ornamentation features, according to the Hamaker model. With the pollenkitt intact, adhesion was up to 3-6 times higher than the dry grains and exhibited strong substrate dependence. The adhesion enhancing effect of pollenkitt was driven by the formation of pollenkitt capillary bridges and was surprisingly species-dependent, with echinate insect-pollinated species (dandelion and sunflower) showing significantly stronger adhesion and higher substrate dependence than wind-pollinated species (ragweed, poplar, and olive). The combination of high pollenkitt volume and large convex, spiny surface features in echinate entomophilous varieties appears to enhance the spreading area of the liquid pollenkitt relative to varieties of pollen with less pollenkitt volume and less pronounced surface features. Measurements of pollenkitt surface energy indicate that the adhesive strength of capillary bridges is primarily dependent on nonpolar van der Waals interactions, with some contribution from the Lewis basic component of surface energy.

Improved rubber nanofillers

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

Boyle, T. J.

2012-03-01

During this task, Silane functionalized TiO2 and HK3Ti4O4(SiO4)3 were sent to Goodyear (GY) for testing. These materials were characterized based on their interaction with the model elastomer, squalene. The Van der Waals interactions and Hamaker Constants for ZnO particles in squalene and rubber materials were characterized and it was determined that a 10-20 nm spacing was necessary between primary filler particles to maintain a stable nanocomposite. Contact angle measurements on the ZnO and ZnO-silane materials indicated that the solvent should wet the particles, and solvophobic attractions should not be present. These studies showed that the surface modification with sulfosilane couplingmore » agents was successful, and high levels of dispersion of the particles remained possible. Further, a novel surface charging phenomenon where negative surface charging is developed in the squalene environment was observed and corroborated by measurements of particle size and of the surface modified materials in squalene. This impacts the dispersion of the particles according to the traditional colloidal interpretation of electrostatic repulsive forces between particles. Additionally, thin nanocomposite fibers were developed using electrospinning. The size and shape of the oxides did not change during the electrospinning process, although the shape of the fiber and the distribution of the particles, particularly for ZnO, was not ideal. There was an obvious increase in elastic modulus and hardness from the addition of the oxides, but differentiating the oxides, and particularly the surfactants, was difficult. The A-1289 lead to the greatest dispersion of the filler particles, while the A-1589 and the NXT produced clustered particle aggregates. This agrees with previous study of these materials in low molecular weight squalene solvent studies reported earlier. The behavior of the nanoparticle ZnO and the microparticle silica is different as well, with the ZnO being contained within the elastomer, and the SiO2 forming monolayers at the surface of the elastomer. The dynamic mechanical analysis did not show clear trends between the surface modification and the aggregate structure. In the silica particles, the NXT led to the least particle interaction, followed by the A-1289 and highest particle interaction found for the A-1589. For the nanosized ZnO, the best dispersion was found for the A-1589, with both the A-1289 and NXT exhibiting frequency dependent responses.« less

Experimental determination of the effective strong coupling constant

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

Alexandre Deur; Volker Burkert; Jian-Ping Chen

2007-07-01

We extract an effective strong coupling constant from low Q{sup 2} data on the Bjorken sum. Using sum rules, we establish its Q{sup 2}-behavior over the complete Q{sup 2}-range. The result is compared to effective coupling constants extracted from different processes and to calculations based on Schwinger-Dyson equations, hadron spectroscopy or lattice QCD. Although the connection between the experimentally extracted effective coupling constant and the calculations is not clear, the results agree surprisingly well.

The Gaseous Explosive Reaction : The Effect of Inert Gases

NASA Technical Reports Server (NTRS)

Stevens, F W

1928-01-01

Attention is called in this report to previous investigations of gaseous explosive reactions carried out under constant volume conditions, where the effect of inert gases on the thermodynamic equilibrium was determined. The advantage of constant pressure methods over those of constant volume as applied to studies of the gaseous explosive reaction is pointed out and the possibility of realizing for this purpose a constant pressure bomb mentioned. The application of constant pressure methods to the study of gaseous explosive reactions, made possible by the use of a constant pressure bomb, led to the discovery of an important kinetic relation connecting the rate of propagation of the zone of explosive reaction within the active gases, with the initial concentrations of those gases: s = K(sub 1)(A)(sup n1)(B)(sup n2)(C)(sup n3)------. By a method analogous to that followed in determining the effect of inert gases on the equilibrium constant K, the present paper records an attempt to determine their kinetic effect upon the expression given above.

The significance of the source of zinc and its anti-VSC effect.

PubMed

Rölla, G; Jonski, G; Young, A

2002-06-01

The anti-VSC (volatile sulphur compounds) effect of zinc is known to be associated with free zinc ions. To examine whether zinc salts with low stability constants were more suitable as sources of zinc in zinc lozenges than zinc salts with high stability constants. The former provide free zinc ions upon dissolution in water, whereas the latter provide few such ions. Identical lozenges were produced which contained either zinc acetate, zinc gluconate (low stability constants), zinc citrate or amino-acid chelated zinc (extremely high stability constants). All the lozenges contained 0.1 per cent of zinc. A test panel of 10 volunteers used the different lozenges randomly. VSC were measured by GC. The lozenge with the highest stability constant was as effective as those with very low stability constants. The anti-VSC effect was thus not related to this constant. These findings may be explained by the possibility that alternative ligands with stronger affinity for zinc than the original ligands in the lozenges may be present in the oral cavity. An in vitro experiment indicated that the sulphide ion (S2-) may be such a ligand.

UHV AFM based colloidal probe studies of adhesive properties of VAlN hard coatings

NASA Astrophysics Data System (ADS)

Wiesing, M.; de los Arcos, T.; Grundmeier, G.

2018-01-01

The adhesion of polystyrene (PS) on V0.27Al0.29N0.44 and the related influence of the oxidation states of both surfaces was investigated using X-Ray Photoelectron Spectroscopy (XPS) and Colloidal Force Spectroscopy (CFS) in Ultra-High Vacuum (UHV). Complementary, the intimate relation between the adhesion force, the chemical structure and surface polarizability was investigated by XPS valence band spectroscopy and the calculation of non-retarded Hamaker coefficients using Lifshitz theory based on optical data as derived from Reflection Electron Energy Loss Spectroscopy (REELS) spectra. The combined electron and force spectroscopic analysis of the interaction forces disclosed quantitatively the separation of the adhesion force in van der Waals and Lewis acid-base contributions. Further, the surface polarizability of VAlN was shown to be unaffected by oxygen incorporation due to the formation of an only gradually oxidized surface comprising a range of vanadium oxidation states. In contrast, the adhesion force analysis revealed additional Lewis acid-base interactions between the oxidized and non-oxidized VAlN surfaces and carboxyl groups present in the surface of PS after an oxidative oxygen beam treatment.

A simple model for heterogeneous nucleation of isotactic polypropylene

NASA Astrophysics Data System (ADS)

Howard, Michael; Milner, Scott

2013-03-01

Flow-induced crystallization (FIC) is of interest because of its relevance to processes such as injection molding. It has been suggested that flow increases the homogeneous nucleation rate by reducing the melt state entropy. However, commercial polypropylene (iPP) exhibits quiescent nucleation rates that are much too high to be consistent with homogeneous nucleation in carefully purified samples. This suggests that heterogeneous nucleation is dominant for typical samples used in FIC experiments. We describe a simple model for heterogeneous nucleation of iPP, in terms of a cylindrical nucleus on a flat surface with the critical size and barrier set by the contact angle. Analysis of quiescent crystallization data with this model gives reasonable values for the contact angle. We have also employed atomistic simulations of iPP crystals to determine surface energies with vacuum and with Hamaker-matched substrates, and find values consistent with the contact angles inferred from heterogeneous nucleation experiments. In future work, these results combined with calculations from melt rheology of entropy reduction due to flow can be used to estimate the heterogeneous nucleation barrier reduction due to flow, and hence the increase in nucleation rate due to FIC for commecial iPP.

Dietary starch breakdown product sensing mobilizes and apically activates α-glucosidases in small intestinal enterocytes.

PubMed

Chegeni, Mohammad; Amiri, Mahdi; Nichols, Buford L; Naim, Hassan Y; Hamaker, Bruce R

2018-02-20

Dietary starch is finally converted to glucose for absorption by the small intestine mucosal α-glucosidases (sucrase-isomaltase [SI] and maltase-glucoamylase), and control of this process has health implications. Here, the molecular mechanisms were analyzed associated with starch-triggered maturation and transport of SI. Biosynthetic pulse-chase in Caco-2 cells revealed that the high MW SI species (265 kDa) induced by maltose (an α-amylase starch digestion product) had a higher rate of early trafficking and maturation compared with a glucose-induced SI (245 kDa). The maltose-induced SI was found to have higher affinity to lipid rafts, which are associated with enhanced targeting to the apical membrane and higher activity. Accordingly, in situ maltose-hydrolyzing action was enhanced in the maltose-treated cells. Thus, starch digestion products at the luminal surface of small intestinal enterocytes are sensed and accelerate the intracellular processing of SI to enhance starch digestion capacity in the intestinal lumen.-Chegeni, M., Amiri, M., Nichols, B. L., Naim, H. Y., Hamaker, B. R. Dietary starch breakdown product sensing mobilizes and apically activates α-glucosidases in small intestinal enterocytes.

Simple theory for the dependence of the electrical resistance of the magnetic superconductors TmRh/sub 4/B/sub 4/ and ErRh/sub 4/B/sub 4/ on temperature and field

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

Meijer, H.C.; Andriessen, J.; Postma, H.

1986-04-01

A phenomenological description for the temperature and magnetic field dependence of the electrical resistance R of polycrystalline samples of the reentrant superconductors TmRh/sub 4/B/sub 4/ and ErRh/sub 4/B/sub 4/ is given on the basis of two assumptions: (1) Due to the anisotropic values of the rare-earth ions the critical field of the crystallites depends on the direction of the externally applied field, which leads to an increasing number of normal crystallites with increasing field. For the dependence of the magnetization M on temperature, a molecular field model is used. (2) The bulk resistance R of the sample depends in amore » linear way on the fraction of normal crystallites. There is a qualitative agreement with the experimental results of Hamaker et al. and of Ott et al. It is also shown that an applied field H/sub e/ is equal to the orbital critical field H(/sub c//sub 2/ for the temperature at which R(H/sub e/, T) starts deviating from the resistance of the normal sample.« less

The effect of diamic acid additives on the dielectric constant of polyimides

NASA Technical Reports Server (NTRS)

Stoakley, Diane M.; St. Clair, Anne K.

1988-01-01

The effect of six selected diamic acids additives (including 2,2-prime bis(3,4-dicarboxyphenyl) hexafluoropropane dianhydride-aniline (An); 4,4-prime-oxydiphthalic anhydride-An, 3,3-prime diaminodiphenyl sulfone-phthalic anhydride (PA); 4,4-prime-oxydianiline-PA; 2,2-bis 4(4-aminophenoxy)phenyl hexafluoropropane-PA; and 2,2-bis 4(3-aminophenoxy)phenyl hexafluoropropane-PA) on the dielectric constants of low-dielectric-constant polyimide resins was evaluated. It was found that the effect of the incorporation of the diamic acids on reducing the dielectric constant of polyimides may be limited as the dielectric constant of the base resin itself becomes very low. The additives were found to lower the resin's values of glass transition temperature, with no effect on thermooxidative stability.

Rate constants for proteins binding to substrates with multiple binding sites using a generalized forward flux sampling expression

NASA Astrophysics Data System (ADS)

Vijaykumar, Adithya; ten Wolde, Pieter Rein; Bolhuis, Peter G.

2018-03-01

To predict the response of a biochemical system, knowledge of the intrinsic and effective rate constants of proteins is crucial. The experimentally accessible effective rate constant for association can be decomposed in a diffusion-limited rate at which proteins come into contact and an intrinsic association rate at which the proteins in contact truly bind. Reversely, when dissociating, bound proteins first separate into a contact pair with an intrinsic dissociation rate, before moving away by diffusion. While microscopic expressions exist that enable the calculation of the intrinsic and effective rate constants by conducting a single rare event simulation of the protein dissociation reaction, these expressions are only valid when the substrate has just one binding site. If the substrate has multiple binding sites, a bound enzyme can, besides dissociating into the bulk, also hop to another binding site. Calculating transition rate constants between multiple states with forward flux sampling requires a generalized rate expression. We present this expression here and use it to derive explicit expressions for all intrinsic and effective rate constants involving binding to multiple states, including rebinding. We illustrate our approach by computing the intrinsic and effective association, dissociation, and hopping rate constants for a system in which a patchy particle model enzyme binds to a substrate with two binding sites. We find that these rate constants increase as a function of the rotational diffusion constant of the particles. The hopping rate constant decreases as a function of the distance between the binding sites. Finally, we find that blocking one of the binding sites enhances both association and dissociation rate constants. Our approach and results are important for understanding and modeling association reactions in enzyme-substrate systems and other patchy particle systems and open the way for large multiscale simulations of such systems.

Graviton fluctuations erase the cosmological constant

NASA Astrophysics Data System (ADS)

Wetterich, C.

2017-10-01

Graviton fluctuations induce strong non-perturbative infrared renormalization effects for the cosmological constant. The functional renormalization flow drives a positive cosmological constant towards zero, solving the cosmological constant problem without the need to tune parameters. We propose a simple computation of the graviton contribution to the flow of the effective potential for scalar fields. Within variable gravity, with effective Planck mass proportional to the scalar field, we find that the potential increases asymptotically at most quadratically with the scalar field. The solutions of the derived cosmological equations lead to an asymptotically vanishing cosmological "constant" in the infinite future, providing for dynamical dark energy in the present cosmological epoch. Beyond a solution of the cosmological constant problem, our simplified computation also entails a sizeable positive graviton-induced anomalous dimension for the quartic Higgs coupling in the ultraviolet regime, substantiating the successful prediction of the Higgs boson mass within the asymptotic safety scenario for quantum gravity.

Relationship between regolith particle size and porosity on small bodies

NASA Astrophysics Data System (ADS)

Kiuchi, M.; Nakamura, A.

2014-07-01

Small planetary bodies are covered by a particle layer called the regolith. The particle size and porosity of the regolith surface of the small bodies are important physical properties. The responses of the surface to solar irradiation depend on the particle size and porosity. The particle size and porosity have influences on the dynamic responses of the surface, such as cratering efficiency. In previous studies, these two quantities were measured or estimated by various methods. Here we propose a semi-empirical relationship between the particle size and porosity for small bodies' surfaces. An empirical relationship between the porosity of granular materials in loose packing state under 1G and the ratio of the magnitudes of the interparticle force and gravity which act on a particle was presented in a previous study [1]. In this study, we assume that the van der Waals force F_{V} is predominant in the interparticle forces and adopt a model formula [2] which is different from that adopted in the previous study [1]: F_{V} = {AS^{2}}/{48Ω ^{2}}r, where A is the Hamaker constant, r is the particle radius, Ω is the diameter of an O^{-2} ion, and S is the cleanliness ratio which shows the smallness of a number of the adsorbate molecules [2]. It was shown that the cleanliness ratio S is approximately 0.1 on the Earth, and is almost unity in the interplanetary space. In addition to the data of the several previous studies, our own measurement result for micron-sized fly-ash particles in atmospheric conditions is used in the present analysis. We calculate F_{V} using Eq. (1), and obtain a relationship between porosity and the ratio R_{F} = F_{V}/F_{g}, where F_{g} is gravity. An empirical formula used in the previous study [1], p = p_{0}+(1-p_{0})exp(-m{R_{F}}^{-n}), is applied to fit the data, where p is the porosity and p_{0}, m and n are constants. We assume that p_{0} is 0.36. By substituting Eq. (1) to Eq. 2, we obtain p = p_{0}+(1-p_{0})exp {-m({AS^{2}}/{64πΩ ^{2}ρ g r^{2}})^{-2} }, where ρ is particle density and g is the gravitational acceleration. We found that previous data and our own measurement result were fit successfully by Eq. (3) as shown in the figure (left). We then apply Eq. (3) to the conditions of small bodies' surfaces to derive the relationship between particle radius and porosity for the several objects as shown in the figure (right). For example, in the case of asteroid (25143) Itokawa, the range of porosity is expected to be between 0.55 and 0.8 for the surface area consisting of particles with mm-cm sizes. Figure: Porosity of granular media as a function of the ratio R_{F} of the magnitudes of the van der Waals force and gravity (left) and porosity as a function of particle radius on the surface of small bodies (right).

Role of dielectric constant in electrohydrodynamics of conducting fluids

NASA Technical Reports Server (NTRS)

Rhodes, Percy H.; Snyder, Robert S.; Roberts, Glyn O.

1992-01-01

Electrohydrodynamic (EHD) flows are driven by the interaction of an electric field with variations in electric conductivity or dielectric constant. In reported EHD experiments on the deformation of drops of immiscible dielectric fluids, the role of conductivity has tended to overshadow the role of dielectric constant. Often, large conductivity contrasts were convenient because the conductivities of the dielectric fluid were relatively uncertain. As a result, the observed effects were always qualitatively the same as if there had been no contrast in dielectric constant. Our early experiments studying the EHC deformations of cylindrical streams readily showed the conductivity effect but the dielectric constant effect was not discernible. We have modified our flow chamber and improved our method of observation and can now see an unequivocal dielectric constant effect which is in agreement with the prior theory. In this paper we first give a brief description of the physics of charge buildup at the interface of an immersed spherical drop or flowing cylindrical sample stream and then show how these charge distributions lead to interface distortions and accompanying viscous flows which constitute EHD. We next review theory and experiment describing the deformation of spherical drops. We show that in the reported drop deformation experiments, the contrast in dielectric constant was never sufficient to reverse the deformation due to the conductivity contrast. We review our work describing the deformation of a cylindrical stream of one fluid flowing in a parallel flow of another, and we compare the deformation equations with those for spherical drops. Finally, we show a definite experimental dielectric constant effect for cylindrical stream of aqueous polystyrene latex suspension. The dielectric constant varies with the frequency of the imposed electric field, and the associated EHD flow change is very apparent.

Examination of Effective Dielectric Constants Derived from Non-Spherical Melting Hydrometeor

NASA Astrophysics Data System (ADS)

Liao, L.; Meneghini, R.

2009-04-01

The bright band, a layer of enhanced radar echo associated with melting hydrometeors, is often observed in stratiform rain. Understanding the microphysical properties of melting hydrometeors and their scattering and propagation effects is of great importance in accurately estimating parameters of the precipitation from spaceborne radar and radiometers. However, one of the impediments in the study of the radar signature of the melting layer is the determination of effective dielectric constants of melting hydrometeors. Although a number of mixing formulas are available to compute the effective dielectric constants, their results vary to a great extent when water is a component of the mixture, such as in the case of melting snow. It is also physically unclear as to how to select among these various formulas. Furthermore, the question remains as to whether these mixing formulas can be applied to computations of radar polarimetric parameters from non-spherical melting particles. Recently, several approaches using numerical methods have been developed to derive the effective dielectric constants of melting hydrometeors, i.e., mixtures consisting of air, ice and water, based on more realistic melting models of particles, in which the composition of the melting hydrometeor is divided into a number of identical cells. Each of these cells is then assigned in a probabilistic way to be water, ice or air according to the distribution of fractional water contents for a particular particle. While the derived effective dielectric constants have been extensively tested at various wavelengths over a range of particle sizes, these numerical experiments have been restricted to the co-polarized scattering parameters from spherical particles. As polarimetric radar has been increasingly used in the study of microphysical properties of hydrometeors, an extension of the theory to polarimetric variables should provide additional information on melting processes. To account for polarimetric radar measurements from melting hydrometeors, it is necessary to move away from the restriction that the melting particles are spherical. In this study, our primary focus is on the derivation of the effective dielectric constants of non-spherical particles that are mixtures of ice and water. The computational model for the ice-water particle is described by a collection of 128x128x128 cubic cells of identical size. Because of the use of such a high-resolution model, the particles can be described accurately not only with regard to shape but with respect to structure as well. The Cartesian components of the mean internal electric field of particles, which are used to infer the effective dielectric constants, are calculated at each cell by the use of the Conjugate Gradient-Fast Fourier Transform (CG-FFT) numerical method. In this work we first check the validity of derived effective dielectric constant from a non-spherical mixed phase particle by comparing the polarimetric scattering parameters of an ice-water spheroid obtained from the CGFFT to those computed from the T-matrix for a homogeneous particle with the same geometry as that of the mixed phase particle (such as size, shape and orientation) and with an effective dielectric constant derived from the internal field of the mixed-phase particle. The accuracy of the effective dielectric constant can be judged by whether the scattering parameters of interest can accurately reproduce those of the exact solution, i.e., the T-matrix results. The purpose of defining an effective dielectric constant is to reduce the complexity of the scattering calculations in the sense that the effective dielectric constant, once obtained, may be applicable to a range of particle sizes, shapes and orientations. Conversely, if a different effective dielectric constant is needed for each particle size or shape, then its utility would be marginal. Having verified that the effective dielectric constant defined for a particular particle with a fixed shape, size, and orientation is valid, a check is performed to see if this effective dielectric constant can be used to characterize a class of particle types (with arbitrary sizes, shapes and orientations) if the fractional ice-water contents of melting particles remain the same. Among the scattering and polarimatric parameters used for examination of effective dielectric constant in this study, are the radar backscattering, extinction and scattering coefficients, asymmetry factor, differential reflectivity factor (ZDR), phase shift and linear polarization ratio (LDR). The goal is to determine whether the effective dielectric constant approach provides a means to compute accurately the radar polarimetric scattering parameters and radiometer brightness temperature quantities from the melting layer in a relatively simple and efficient way.

Nonadiabatic rate constants for proton transfer and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the vibronic coupling expansion

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

Soudackov, Alexander V.; Hammes-Schiffer, Sharon

2015-11-21

Rate constant expressions for vibronically nonadiabatic proton transfer and proton-coupled electron transfer reactions are presented and analyzed. The regimes covered include electronically adiabatic and nonadiabatic reactions, as well as high-frequency and low-frequency proton donor-acceptor vibrational modes. These rate constants differ from previous rate constants derived with the cumulant expansion approach in that the logarithmic expansion of the vibronic coupling in terms of the proton donor-acceptor distance includes a quadratic as well as a linear term. The analysis illustrates that inclusion of this quadratic term in the framework of the cumulant expansion framework may significantly impact the rate constants at highmore » temperatures for proton transfer interfaces with soft proton donor-acceptor modes that are associated with small force constants and weak hydrogen bonds. The effects of the quadratic term may also become significant in these regimes when using the vibronic coupling expansion in conjunction with a thermal averaging procedure for calculating the rate constant. In this case, however, the expansion of the coupling can be avoided entirely by calculating the couplings explicitly for the range of proton donor-acceptor distances sampled. The effects of the quadratic term for weak hydrogen-bonding systems are less significant for more physically realistic models that prevent the sampling of unphysical short proton donor-acceptor distances. Additionally, the rigorous relation between the cumulant expansion and thermal averaging approaches is clarified. In particular, the cumulant expansion rate constant includes effects from dynamical interference between the proton donor-acceptor and solvent motions and becomes equivalent to the thermally averaged rate constant when these dynamical effects are neglected. This analysis identifies the regimes in which each rate constant expression is valid and thus will be important for future applications to proton transfer and proton-coupled electron transfer in chemical and biological processes.« less

Effect on head-wind profiles and mean head-wind velocity on landing capacity flying constant-airspeed and constant-groundspeed approaches

NASA Technical Reports Server (NTRS)

Hastings, E. C., Jr.; Kelley, W. W.

1979-01-01

A study was conducted to determine the effect of head-wind profiles and mean head-wind velocities on runway landing capacity for airplanes flying constant-airspeed and constant-groundspeed approaches. It was determined that when the wind profiles were encountered with the currently used constant airspeed approach method, the landing capacity was reduced. The severity of these reductions increased as the mean head-wind value of the profile increased. When constant-groundspeed approaches were made in the same wind profiles, there were no losses in landing capacity. In an analysis of mean head winds, it was determined that in a mean head wind of 35 knots, the landing capacity using constant-airspeed approaches was 13% less than for the no wind condition. There were no reductions in landing capacity with constant-groundspeed approaches for mean head winds less than 35 knots. This same result was observed when the separation intervals between airplanes was reduced.

NMR shielding and spin–rotation constants of {sup 175}LuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I) molecules

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

Demissie, Taye B.

2015-12-31

This presentation demonstrates the relativistic effects on the spin-rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants and shielding spans of {sup 175}LuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I) molecules. The results are obtained from calculations performed using density functional theory (non-relativistic and four-component relativistic) and coupled-cluster calculations. The spin-rotation constants are compared with available experimental values. In most of the molecules studied, relativistic effects make an order of magnitude difference on the NMR absolute shielding constants.

Simulated Seasonal Photoperiods and Fluctuating Temperatures Have Limited Effects on Blood Feeding and Life History in Aedes triseriatus (Diptera: Culicidae)

PubMed Central

Westby, K. M.

2015-01-01

Biotic and abiotic factors change seasonally and impact life history in temperate-zone ectotherms. Temperature and photoperiod are factors that change in predictable ways. Most studies testing for effects of temperature on vectors use constant temperatures and ignore potential correlated effects of photoperiod. In two experiments, we tested for effects of larval rearing environments creating ecologically relevant temperatures and photoperiods simulating early and late season conditions (June and August), or constant temperatures (cool and warm) with the June or August photoperiods, respectively. We determined effects on survivorship, development, size, and a composite performance index in a temperate-zone population of Aedes triseriatus (Say). We followed cohorts of resulting females, all held under the same environmental conditions, to assess carry-over effects of rearing conditions for larvae on longevity, blood feeding, and egg production. Larval survivorship was affected by treatment in one experiment. Development time was greater in the June and cool treatments, but the constant and fluctuating temperatures did not differ. Significantly larger mosquitoes were produced in fluctuating versus constant temperature treatments. There were no significant treatment effects on the composite performance index. Adult female longevity was lower after rearing at constant versus fluctuating temperature, but there was no difference between June and August, nor did size affect longevity. There was no effect of treatments on blood feeding and a limited effect on egg production. We conclude that seasonal temperatures and photoperiods during development have limited effects on this population of A. triseriatus and find little evidence of strong effects of fluctuating versus constant temperatures. PMID:26336255

The effective propagation constants of SH wave in composites reinforced by dispersive parallel nanofibers

NASA Astrophysics Data System (ADS)

Qiang, FangWei; Wei, PeiJun; Li, Li

2012-07-01

In the present paper, the effective propagation constants of elastic SH waves in composites with randomly distributed parallel cylindrical nanofibers are studied. The surface stress effects are considered based on the surface elasticity theory and non-classical interfacial conditions between the nanofiber and the host are derived. The scattering waves from individual nanofibers embedded in an infinite elastic host are obtained by the plane wave expansion method. The scattering waves from all fibers are summed up to obtain the multiple scattering waves. The interactions among random dispersive nanofibers are taken into account by the effective field approximation. The effective propagation constants are obtained by the configurational average of the multiple scattering waves. The effective speed and attenuation of the averaged wave and the associated dynamical effective shear modulus of composites are numerically calculated. Based on the numerical results, the size effects of the nanofibers on the effective propagation constants and the effective modulus are discussed.

Exploring the Angstrom Excursion of Au Nanoparticles Excited away from a Metal Surface by an Impulsive Acoustic Perturbation.

PubMed

Kim, Ji-Wan; Kovalenko, Oleksandr; Liu, Yu; Bigot, Jean-Yves

2016-12-27

We report the anharmonic angstrom dynamics of self-assembled Au nanoparticles (Au:NPs) away from a nickel surface on top of which they are coupled by their near-field interaction. The deformation and the oscillatory excursion away from the surface are induced by picosecond acoustic pulses and probed at the surface plasmon resonance with femtosecond laser pulses. The overall dynamics are due to an efficient transfer of translational momentum from the Ni surface to the Au:NPs, therefore avoiding usual thermal effects and energy redistribution among the electronic states. Two modes are clearly revealed by the oscillatory shift of the Au:NPs surface plasmon resonance-the quadrupole deformation mode due to the transient ellipsoid shape and the excursion mode when the Au:NPs bounce away from the surface. We find that, contrary to the quadrupole mode, the excursion mode is sensitive to the distance between Au:NPs and Ni. Importantly, the excursion dynamics display a nonsinusoidal motion that cannot be explained by a standard harmonic potential model. A detailed modeling of the dynamics using a Hamaker-type Lennard-Jones potential between two media is performed, showing that each Au:NPs coherently evolves in a nearly one-dimensional anharmonic potential with a total excursion of ∼1 Å. This excursion induces a shift of the surface plasmon resonance detectable because of the strong near-field interaction. This general method of observing the spatiotemporal dynamics with angstrom and picosecond resolutions can be directly transposed to many nanostructures or biosystems to reveal the interaction and contact mechanism with their surrounding medium while remaining in their fundamental electronic states.

Caregivers as Teachers: Using Constant Time Delay To Teach Adults How To Use Constant Time Delay.

ERIC Educational Resources Information Center

Wall, Maureen E.; Gast, David L.

1997-01-01

A study involving four caregivers evaluated the effectiveness of a systematic instructional procedure known as constant time delay (CTD) in teaching caregivers how to use CTD to teach their adolescent or adult children, siblings, or clients with disabilities, response chain skills. Results found the procedure to be effective. (CR)

Hall Effect Thruster Ground Testing Challenges

DTIC Science & Technology

2009-08-18

the specic impulse, g is Earth’s gravitational constant, η is the thrust efficiency, ṁ is the propellant...lines form a composite spring with an effective spring constant of K . The thruster displaces the inverted pendulum a distance x, and the thrust stand...destabilizing force as shown in Eqn. 5. x = T K − Mgh (5) The effective spring constant is adjusted such that the unstable condition of K = Mg/h is avoided,

Effect of vacuum-ultraviolet irradiation on the dielectric constant of low-k organosilicate dielectrics

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

Zheng, H.; Shohet, J. L.; Ryan, E. T.

2014-11-17

Vacuum ultraviolet (VUV) irradiation is generated during plasma processing in semiconductor fabrications, while the effect of VUV irradiation on the dielectric constant (k value) of low-k materials is still an open question. To clarify this problem, VUV photons with a range of energies were exposed on low-k organosilicate dielectrics (SiCOH) samples at room temperature. Photon energies equal to or larger than 6.0 eV were found to decrease the k value of SiCOH films. VUV photons with lower energies do not have this effect. This shows the need for thermal heating in traditional ultraviolet (UV) curing since UV light sources do notmore » have sufficient energy to change the dielectric constant of SiCOH and additional energy is required from thermal heating. In addition, 6.2 eV photon irradiation was found to be the most effective in decreasing the dielectric constant of low-k organosilicate films. Fourier Transform Infra-red Spectroscopy shows that these 6.2 eV VUV exposures removed organic porogens. This contributes to the decrease of the dielectric constant. This information provides the range of VUV photon energies that could decrease the dielectric constant of low-k materials most effectively.« less

Evolution of the Carter constant for inspirals into a black hole: Effect of the black hole quadrupole

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

Flanagan, Eanna E.; Laboratory for Elementary Particle Physics, Cornell University, Ithaca, New York 14853; Hinderer, Tanja

2007-06-15

We analyze the effect of gravitational radiation reaction on generic orbits around a body with an axisymmetric mass quadrupole moment Q to linear order in Q, to the leading post-Newtonian order, and to linear order in the mass ratio. This system admits three constants of the motion in absence of radiation reaction: energy, angular momentum along the symmetry axis, and a third constant analogous to the Carter constant. We compute instantaneous and time-averaged rates of change of these three constants. For a point particle orbiting a black hole, Ryan has computed the leading order evolution of the orbit's Carter constant,more » which is linear in the spin. Our result, when combined with an interaction quadratic in the spin (the coupling of the black hole's spin to its own radiation reaction field), gives the next to leading order evolution. The effect of the quadrupole, like that of the linear spin term, is to circularize eccentric orbits and to drive the orbital plane towards antialignment with the symmetry axis. In addition we consider a system of two point masses where one body has a single mass multipole or current multipole of order l. To linear order in the mass ratio, to linear order in the multipole, and to the leading post-Newtonian order, we show that there does not exist an analog of the Carter constant for such a system (except for the cases of an l=1 current moment and an l=2 mass moment). Thus, the existence of the Carter constant in Kerr depends on interaction effects between the different multipoles. With mild additional assumptions, this result falsifies the conjecture that all vacuum, axisymmetric spacetimes possess a third constant of the motion for geodesic motion.« less

Procedural Adaptations for Use of Constant Time Delay to Teach Highly Motivating Words to Beginning Braille Readers

ERIC Educational Resources Information Center

Ivy, Sarah E.; Guerra, Jennifer A.; Hatton, Deborah D.

2017-01-01

Introduction: Constant time delay is an evidence-based practice to teach sight word recognition to students with a variety of disabilities. To date, two studies have documented its effectiveness for teaching braille. Methods: Using a multiple-baseline design, we evaluated the effectiveness of constant time delay to teach highly motivating words to…

Temperature-Dependent Rate Constants and Substituent Effects for the Reactions of Hydroxyl Radicals With Three Partially Fluorinated Ethers

NASA Technical Reports Server (NTRS)

Hsu, K.-J.; DeMore, W. B.

1995-01-01

Rate constants and temperature dependencies for the reactions of OH with CF3OCH3 (HFOC-143a), CF2HOCF2H (HFOC-134), and CF3OCF2H (HFOC-125) were studied using a relative rate technique in the temperature range 298-393 K. The following absolute rate constants were derived: HFOC-143a, 1.9E-12 exp(-1555/T); HFOC-134, 1.9E-12 exp(-2006/T); HFOC-125, 4.7E-13 exp(-2095/T). Units are cm(exp 3)molecule(exp -1) s(exp -1). Substituent effects on OH abstraction rate constants are discussed, and it is shown that the CF3O group has an effect on the OH rate constants similar to that of a fluorine atom. The effects are related to changes in the C-H bond energies of the reactants (and thereby the activation energies) rather than changes in the preexponential factors. On the basis of a correlation of rate constants with bond energies, the respective D(C-H) bond strengths in the three ethers are found to be 102, 104, and 106 kcal/mol, with an uncertainty of about 1 kcal/mol.

Interfacial and transport properties of nanoconstrained inorganic and organic materials

NASA Astrophysics Data System (ADS)

Kocherlakota, Lakshmi Suhasini

Nanoscale constraints impact the material properties of both organic and inorganic systems. The systems specifically studied here are (i) nanoconstrained polymeric systems, poly(l-trimethylsilyl-1-propyne) (PTMSP) and poly(ethylene oxide) (PEO) relevant to gas separation membranes (ii) Zwitterionic polymers poly(sulfobetaine methacrylate)(pSBMA), poly(carboxybetaine acrylamide) (pCBAA), and poly(oligo(ethylene glycol) methyl methacrylate) (PEGMA) brushes critical for reducing bio-fouling (iii) Surface properties of N-layer graphene sheets. Interfacial constraints in ultrathin poly(l-trimethylsilyl-1-propyne) (PTMSP) membranes yielded gas permeabilities and CO2/helium selectivities that exceed bulk PTMSP membrane transport properties by up to three-fold for membranes of submicrometer thickness. Indicative of a free volume increase, a molecular energetic mobility analysis (involving intrinsic friction analysis) revealed enhanced methyl side group mobilities in thin PTMSP membranes with maximum permeation, compared to bulk films. Aging studies conducted over the timescales relevant to the conducted experiments signify that the free volume states in the thin film membranes are highly unstable in the presence of sorbing gases such as CO2. To maintain this high free volume configuration of polymer while improving the temporal stability an "inverse" architecture to conventional polymer nanocomposites was investigated, in which the polymer phase of PTMSP and PEO were interfacially and dimensionally constrained in nanoporous anodic aluminum oxide (AAO) membranes. While with this architecture the benefits of nanocomposite and ultrathin film membranes of PTMSP could be reproduced and improved upon, also the temporal stability could be enhanced substantially. The PEO-AAO nanocomposite membranes also revealed improved gas selectivity properties of CO2 over helium. In the thermal transition studies of zwitterionic pSBMA brushes a reversible critical transition temperature of 60 °C in 27 nm films was evidenced, indicating changes in molecular conformations with respect to the temperature. pCBAA and pEGMA brushes displayed no thermal transitions, suggesting that the molecular conformations of these systems were insensitive to temperature in the investigated regime. The surface energy of a dimensionally constrained inorganic system, graphene is studied via local Hamaker constant determination from a single graphene layer to bulk graphite. Intrinsic friction scattering analysis of dipolar fluctuations of the Van der Waals interactions between an atomic force microscopy tip and graphene layers revealed a four-fold reduction in the surface energy from bulk HOPG to graphene. A numerical analysis based on electron energy loss spectroscopy confirms quantitatively the results.

Nuclear-spin optical rotation in xenon

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

Savukov, Igor Mykhaylovich

We report that the nuclear-spin optical rotation (NSOR) effect, which has potential applications in correlated nuclear-spin-resonance optical spectroscopy, has previously been explored experimentally and theoretically in liquid Xe. Calculations of the Xe NSOR constant are very challenging because the result is sensitive to correlations, relativistic effects, and the choice of basis, with strong cancellation between contributions from lowest and remaining states. The relativistic configuration-interaction many-body-theory approach, presented here, is promising because this approach has been successful in predicting various properties of noble-gas atoms, such as energies, oscillator strengths (OSs), Verdet constants, and photoionization cross sections. However, correlations become stronger alongmore » the sequence of noble-gas atoms and the theoretical accuracy in Xe is not as high as, for example, in neon and argon. To improve the accuracy of the Xe Verdet and NSOR constants, which are calculated as explicit sums over the excited states, theoretical values for the several lowest levels are replaced with empirical values of energies, OSs, and hyperfine structure constants. We found that the Xe Verdet constant is in excellent agreement with accurate measurements. To take into account liquid effects, empirical data for energy shifts were also used to correct the NSOR constant. In conclusion, the resulting Xe NSOR constant is in a good agreement with experiment, although the liquid-state effect is treated quite approximately.« less

Nuclear-spin optical rotation in xenon

DOE PAGES

Savukov, Igor Mykhaylovich

2015-10-29

We report that the nuclear-spin optical rotation (NSOR) effect, which has potential applications in correlated nuclear-spin-resonance optical spectroscopy, has previously been explored experimentally and theoretically in liquid Xe. Calculations of the Xe NSOR constant are very challenging because the result is sensitive to correlations, relativistic effects, and the choice of basis, with strong cancellation between contributions from lowest and remaining states. The relativistic configuration-interaction many-body-theory approach, presented here, is promising because this approach has been successful in predicting various properties of noble-gas atoms, such as energies, oscillator strengths (OSs), Verdet constants, and photoionization cross sections. However, correlations become stronger alongmore » the sequence of noble-gas atoms and the theoretical accuracy in Xe is not as high as, for example, in neon and argon. To improve the accuracy of the Xe Verdet and NSOR constants, which are calculated as explicit sums over the excited states, theoretical values for the several lowest levels are replaced with empirical values of energies, OSs, and hyperfine structure constants. We found that the Xe Verdet constant is in excellent agreement with accurate measurements. To take into account liquid effects, empirical data for energy shifts were also used to correct the NSOR constant. In conclusion, the resulting Xe NSOR constant is in a good agreement with experiment, although the liquid-state effect is treated quite approximately.« less

A New Physical Constant And Its Importance To Energy Production

NASA Astrophysics Data System (ADS)

Angus, Andrew

2003-03-01

The purpose of this paper is to introduce a new physical constant symbolized by the Greek letter lambda. This paper explains how the new physical constant was derived. This paper also explains the significance of the new physical constant as an alternative explanation to Einstein's Law of Photoelectric Effect. The new physical constant leads to a deeper understanding of the nature of the photon. Furthermore, this new physical constant leads us to the existence of two types of photon, the Planck photon and the Angus photon. Finally, the author also explains the importance of this new physical constant in energy production.

Electrostatic and dispersion interactions during protein adsorption on topographic nanostructures.

PubMed

Elter, Patrick; Lange, Regina; Beck, Ulrich

2011-07-19

Recently, biomaterials research has focused on developing functional implant surfaces with well-defined topographic nanostructures in order to influence protein adsorption and cellular behavior. To enhance our understanding of how proteins interact with such surfaces, we analyze the adsorption of lysozyme on an oppositely charged nanostructure using a computer simulation. We present an algorithm that combines simulated Brownian dynamics with numerical field calculation methods to predict the preferred adsorption sites for arbitrarily shaped substrates. Either proteins can be immobilized at their initial adsorption sites or surface diffusion can be considered. Interactions are analyzed on the basis of Derjaguin-Landau-Verway-Overbeek (DLVO) theory, including electrostatic and London dispersion forces, and numerical solutions are derived using the Poisson-Boltzmann and Hamaker equations. Our calculations show that for a grooved nanostructure (i.e., groove and plateau width 8 nm, height 4 nm), proteins first contact the substrate primarily near convex edges because of better geometric accessibility and increased electric field strengths. Subsequently, molecules migrate by surface diffusion into grooves and concave corners, where short-range dispersion interactions are maximized. In equilibrium, this mechanism leads to an increased surface protein concentration in the grooves, demonstrating that the total amount of protein per surface area can be increased if substrates have concave nanostructures.

Graded Interface Models for more accurate Determination of van der Waals-London Dispersion Interactions across Grain Boundaries

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

van Benthem, Klaus; Tan, Guolong; French, Roger H

2006-01-01

Attractive van der Waals V London dispersion interactions between two half crystals arise from local physical property gradients within the interface layer separating the crystals. Hamaker coefficients and London dispersion energies were quantitatively determined for 5 and near- 13 grain boundaries in SrTiO3 by analysis of spatially resolved valence electron energy-loss spectroscopy (VEELS) data. From the experimental data, local complex dielectric functions were determined, from which optical properties can be locally analysed. Both local electronic structures and optical properties revealed gradients within the grain boundary cores of both investigated interfaces. The obtained results show that even in the presence ofmore » atomically structured grain boundary cores with widths of less than 1 nm, optical properties have to be represented with gradual changes across the grain boundary structures to quantitatively reproduce accurate van der Waals V London dispersion interactions. London dispersion energies of the order of 10% of the apparent interface energies of SrTiO3 were observed, demonstrating their significance in the grain boundary formation process. The application of different models to represent optical property gradients shows that long-range van der Waals V London dispersion interactions scale significantly with local, i.e atomic length scale property variations.« less

Structure and interactions of fully hydrated dioleoylphosphatidylcholine bilayers.

PubMed Central

Tristram-Nagle, S; Petrache, H I; Nagle, J F

1998-01-01

This study focuses on dioleoylphosphatidylcholine (DOPC) bilayers near full hydration. Volumetric data and high-resolution synchrotron x-ray data are used in a method that compares DOPC with well determined gel phase dipalmitoylphosphatidylcholine (DPPC). The key structural quantity obtained is fully hydrated area/lipid A0 = 72.2 +/- 1.1 A2 at 30 degrees C, from which other quantities such as thickness of the bilayer are obtained. Data for samples over osmotic pressures from 0 to 56 atmospheres give an estimate for the area compressibility of KA = 188 dyn/cm. Obtaining the continuous scattering transform and electron density profiles requires correction for liquid crystal fluctuations. Quantitation of these fluctuations opens an experimental window on the fluctuation pressure, the primary repulsive interaction near full hydration. The fluctuation pressure decays exponentially with water spacing, in agreement with analytical results for soft confinement. However, the ratio of decay length lambda(fl) = 5.8 A to hydration pressure decay length lambda = 2.2 A is significantly larger than the value of 2 predicted by analytical theory and close to the ratio obtained in recent simulations. We also obtain the traditional osmotic pressure versus water spacing data. Our analysis of these data shows that estimates of the Hamaker parameter H and the bending modulus Kc are strongly coupled. PMID:9675192

Role of endothelium sensitivity to shear stress in noradrenaline-induced constriction of feline femoral arterial bed under constant flow and constant pressure perfusions.

PubMed

Kartamyshev, Sergey P; Balashov, Sergey A; Melkumyants, Arthur M

2007-01-01

The effect of shear stress at the endothelium in the attenuation of the noradrenaline-induced constriction of the femoral vascular bed perfused at a constant blood flow was investigated in 16 anesthetized cats. It is known that the adrenergic vasoconstriction of the femoral vascular bed is considerably greater at a constant pressure perfusion than at a constant blood flow. This difference may depend on the ability of the endothelium to relax smooth muscle in response to an increase in wall shear stress. Since the shear stress is directly related to the blood flow and inversely related to the third power of vessel diameter, vasoconstriction at a constant blood flow increases the wall shear stress that is the stimulus for smooth muscle relaxation opposing constriction. On the other hand, at a constant perfusion pressure, vasoconstriction is accompanied by a decrease in flow rate, which prevents a wall shear stress increase. To reveal the effect of endothelial sensitivity to shear stress, we compared noradrenaline-induced changes in total and proximal arterial resistances during perfusion of the hind limb at a constant blood flow and at a constant pressure in vessels with intact and injured endothelium. We found that in the endothelium-intact bed the same concentration of noradrenaline at a constant flow caused an increase in overall vascular peripheral resistance that was half as large as at a constant perfusion pressure. This difference is mainly confined to the proximal arterial vessels (arteries and large arterioles) whose resistance at a constant flow increased only 0.19 +/- 0.03 times compared to that at a constant pressure. The removal of the endothelium only slightly increased constrictor responses at the perfusion under a constant pressure (noradrenaline-induced increases of both overall and proximal arterial resistance augmented by 12%), while the responses of the proximal vessels at a constant flow became 4.7 +/- 0.4 times greater than in the endothelium-intact bed. A selective blockage of endothelium sensitivity to shear stress using a glutaraldehyde dimer augmented the constrictor responses of the proximal vessels at a constant flow 4.6-fold (+/-0.3), but had no significant effect on the responses at a constant pressure. These results are consistent with the conclusion that the difference in constrictor responses at constant flow and pressure perfusions depends mainly on the smooth muscle relaxation caused by increased wall shear stress. Copyright (c) 2007 S. Karger AG, Basel.

Ortho effects in quantitative structure-activity relationships for acetylcholinesterase inhibition by aryl carbamates.

PubMed

Lin, Gialih; Liu, Yu-Chen; Lin, Yan-Fu; Wu, Yon-Gi

2004-10-01

Ortho-substituted phenyl-N-butyl carbamates (1-9) are characterized as "pseudo-pseudo-substrate" inhibitors of acetylcholinesterase. Since the inhibitors protonate at pH 7.0 buffer solution, the virtual inhibition constants (K'is) of the protonated inhibitors are calculated from the equation, - logK'i = - logKi - logKb. The logarithms of the inhibition constant (Ki), the carbamylation constant (k(c)), and the bimolecular inhibition constant (k(i)) for the enzyme inhibitions by carbamates 1-9 are multiply linearly correlated with the Hammett para-substituent constant (sigma(p)), the Taft-Kutter-Hansch ortho steric constant (E(S)), and the Swan-Lupton ortho polar constant (F). Values of rho, delta, and f for the - logKi-, logk(c)-, and logk(i)-correlations are -0.6, -0.16, 0.7; 0.11, 0.03, -0.3; and - 0.5, - 0.12, 0.4, respectively. The Ki step further divides into two steps: 1) the pre-equilibrium protonation of the inhibitors, Kb step and 2) formation of a negatively charged enzyme-inhibitor Michaelis-Menten complex--virtual inhibition, K'i step. The Ki step has little ortho steric enhancement effect; moreover, the k(c)step is insensitive to the ortho steric effect. The f value of 0.7 for the Ki step indicates that ortho electron-withdrawing substituents of the inhibitors accelerate the inhibition reactions from the ortho polar effect; however, the f value of -0.3 for the k(c)step implies that ortho electron-withdrawing substituents of the inhibitors lessen the inhibition reactions from the ortho polar effect.

Rate constants measured for hydrated electron reactions with peptides and proteins

NASA Technical Reports Server (NTRS)

Braams, R.

1968-01-01

Effects of ionizing radiation on the amino acids of proteins and the reactivity of the protonated amino group depends upon the pK subscript a of the group. Estimates of the rate constants for reactions involving the amino acid side chains are presented. These rate constants gave an approximate rate constant for three different protein molecules.

Local-duality QCD sum rules for strong isospin breaking in the decay constants of heavy-light mesons.

PubMed

Lucha, Wolfgang; Melikhov, Dmitri; Simula, Silvano

2018-01-01

We discuss the leptonic decay constants of heavy-light mesons by means of Borel QCD sum rules in the local-duality (LD) limit of infinitely large Borel mass parameter. In this limit, for an appropriate choice of the invariant structures in the QCD correlation functions, all vacuum-condensate contributions vanish and all nonperturbative effects are contained in only one quantity, the effective threshold. We study properties of the LD effective thresholds in the limits of large heavy-quark mass [Formula: see text] and small light-quark mass [Formula: see text]. In the heavy-quark limit, we clarify the role played by the radiative corrections in the effective threshold for reproducing the pQCD expansion of the decay constants of pseudoscalar and vector mesons. We show that the dependence of the meson decay constants on [Formula: see text] arises predominantly (at the level of 70-80%) from the calculable [Formula: see text]-dependence of the perturbative spectral densities. Making use of the lattice QCD results for the decay constants of nonstrange and strange pseudoscalar and vector heavy mesons, we obtain solid predictions for the decay constants of heavy-light mesons as functions of [Formula: see text] in the range from a few to 100 MeV and evaluate the corresponding strong isospin-breaking effects: [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text].

Radii effect on the translation spring constant of force transducer beams

NASA Technical Reports Server (NTRS)

Scott, C. E.

1992-01-01

Multi-component strain-gage force transducer design requires the designer to determine the spring constant of the numerous beams or flexures incorporated in the transducer. The classical beam deflection formulae that are used in calculating these spring constants typically assume that the beam has a uniform moment of inertia along the entire beam length. In practice all beams have a radius at the end where the beam interfaces with the shoulder of the transducer, and on short beams in particular this increases the beam spring constant considerably. A Basic computer program utilizing numerical integration is presented to determine this effect.

Colossal dielectric constant in PrFeO 3 semiconductor ceramics

NASA Astrophysics Data System (ADS)

Prasad, Bandi Vittal; Rao, G. Narsinga; Chen, J. W.; Babu, D. Suresh

2012-02-01

The perovskite PrFeO 3 ceramics were synthesized via sol-gel method. The dielectric properties and impedance spectroscopy (IS) of these ceramics were studied in the frequency range from 100 Hz to 1000 kHz in the temperature range from 80 K to 300 K. These materials exhibited colossal dielectric constant value of ˜10 4 at room temperature. The response is similar to that observed for relaxorferroelectrics. IS data analysis indicates the ceramics to be electrically heterogeneous semiconductor consisting of semiconducting grains with dielectric constant 30 and more resistive grain boundaries with effective dielectric constant ˜10 4. We conclude, therefore that grain boundary effect is the primary source for the high effective permittivity in PrFeO 3 ceramics.

Projection rule for complex-valued associative memory with large constant terms

NASA Astrophysics Data System (ADS)

Kitahara, Michimasa; Kobayashi, Masaki

Complex-valued Associative Memory (CAM) has an inherent property of rotation invariance. Rotation invariance produces many undesirable stable states and reduces the noise robustness of CAM. Constant terms may remove rotation invariance, but if the constant terms are too small, rotation invariance does not vanish. In this paper, we eliminate rotation invariance by introducing large constant terms to complex-valued neurons. We have to make constant terms sufficiently large to improve the noise robustness. We introduce a parameter to control the amplitudes of constant terms into projection rule. The large constant terms are proved to be effective by our computer simulations.

Control of the Protein Turnover Rates in Lemna minor

PubMed Central

Trewavas, A.

1972-01-01

The control of protein turnover in Lemna minor has been examined using a method described in the previous paper for determining the rate constants of synthesis and degradation of protein. If Lemna is placed on water, there is a reduction in the rate constants of synthesis of protein and an increase (3- to 6-fold) in the rate constant of degradation. The net effect is a loss of protein from the tissue. Omission of nitrate, phosphate, sulfate, magnesium, or calcium results in increases in the rate constant of degradation of protein. An unusual dual effect of benzyladenine on the turnover constants has been observed. Treatment of Lemna grown on sucrose-mineral salts with benzyladenine results in alterations only in the rate constant of synthesis. Treatment of Lemna grown on water with benzyladenine alters only the rate constant of degradation. Abscisic acid on the other hand alters both rate constants of synthesis and degradation of protein together. Inclusion of growth-inhibiting amino acids in the medium results in a reduction in the rate constants of synthesis and increases in the rate constant of degradation of protein. It is concluded that the rate of turnover of protein in Lemna is very dependent on the composition of the growth medium. Conditions which reduce growth rates also reduce the rates of synthesis of protein and increase those of degradation. PMID:16657895

Galaxy Formation Efficiency and the Multiverse Explanation of the Cosmological Constant with EAGLE Simulations

NASA Astrophysics Data System (ADS)

Barnes, Luke A.; Elahi, Pascal J.; Salcido, Jaime; Bower, Richard G.; Lewis, Geraint F.; Theuns, Tom; Schaller, Matthieu; Crain, Robert A.; Schaye, Joop

2018-04-01

Models of the very early universe, including inflationary models, are argued to produce varying universe domains with different values of fundamental constants and cosmic parameters. Using the cosmological hydrodynamical simulation code from the EAGLE collaboration, we investigate the effect of the cosmological constant on the formation of galaxies and stars. We simulate universes with values of the cosmological constant ranging from Λ = 0 to Λ0 × 300, where Λ0 is the value of the cosmological constant in our Universe. Because the global star formation rate in our Universe peaks at t = 3.5 Gyr, before the onset of accelerating expansion, increases in Λ of even an order of magnitude have only a small effect on the star formation history and efficiency of the universe. We use our simulations to predict the observed value of the cosmological constant, given a measure of the multiverse. Whether the cosmological constant is successfully predicted depends crucially on the measure. The impact of the cosmological constant on the formation of structure in the universe does not seem to be a sharp enough function of Λ to explain its observed value alone.

Galaxy formation efficiency and the multiverse explanation of the cosmological constant with EAGLE simulations

NASA Astrophysics Data System (ADS)

Barnes, Luke A.; Elahi, Pascal J.; Salcido, Jaime; Bower, Richard G.; Lewis, Geraint F.; Theuns, Tom; Schaller, Matthieu; Crain, Robert A.; Schaye, Joop

2018-07-01

Models of the very early Universe, including inflationary models, are argued to produce varying universe domains with different values of fundamental constants and cosmic parameters. Using the cosmological hydrodynamical simulation code from the EAGLE collaboration, we investigate the effect of the cosmological constant on the formation of galaxies and stars. We simulate universes with values of the cosmological constant ranging from Λ = 0 to Λ0 × 300, where Λ0 is the value of the cosmological constant in our Universe. Because the global star formation rate in our Universe peaks at t = 3.5 Gyr, before the onset of accelerating expansion, increases in Λ of even an order of magnitude have only a small effect on the star formation history and efficiency of the universe. We use our simulations to predict the observed value of the cosmological constant, given a measure of the multiverse. Whether the cosmological constant is successfully predicted depends crucially on the measure. The impact of the cosmological constant on the formation of structure in the universe does not seem to be a sharp enough function of Λ to explain its observed value alone.

Magnetic-time model at off-season germination

NASA Astrophysics Data System (ADS)

Mahajan, Tarlochan Singh; Pandey, Om Prakash

2014-03-01

Effect of static magnetic field on germination of mung beans is described. Seeds of mung beans, were exposed in batches to static magnetic fields of 87 to 226 mT intensity for 100 min. Magnetic time constant - 60.743 Th (Tesla hour) was determined experimentally. High value of magnetic time constant signifies lower effect of magnetic field on germination rate as this germination was carried out at off-season (13°C). Using decay function, germination magnetic constant was calculated. There was a linear increase in germination magnetic constant with increasing intensity of magnetic field. Calculated values of mean germination time, mean germination rate, germination rate coefficient, germination magnetic constant, transition time, water uptake, indicate that the impact of applied static magnetic field improves the germination of mung beans seeds even in off-season

Trends in electron-ion dissociative recombination of benzene analogs with functional group substitutions: Negative Hammett σpara values

NASA Astrophysics Data System (ADS)

Osborne, David; Lawson, Patrick Andrew; Adams, Nigel; Dotan, Itzhak

2014-06-01

An in-depth study of the effects of functional group substitution on benzene's electron-ion dissociative recombination (e-IDR) rate constant has been conducted. The e-IDR rate constants for benzene, biphenyl, toluene, ethylbenzene, anisole, phenol, and aniline have been measured using a Flowing Afterglow equipped with an electrostatic Langmuir probe (FALP). These measurements have been made over a series of temperatures from 300 to 550 K. A relationship between the Hammett σpara values for each compound and rate constant has indicated a trend in the e-IDR rate constants and possibly in their temperature dependence data. The Hammett σpara value is a method to describe the effect a functional group substituted to a benzene ring has upon the reaction rate constant.

Constant diurnal temperature regime alters the impact of simulated climate warming on a tropical pseudoscorpion

NASA Astrophysics Data System (ADS)

Zeh, Jeanne A.; Bonilla, Melvin M.; Su, Eleanor J.; Padua, Michael V.; Anderson, Rachel V.; Zeh, David W.

2014-01-01

Recent theory suggests that global warming may be catastrophic for tropical ectotherms. Although most studies addressing temperature effects in ectotherms utilize constant temperatures, Jensen's inequality and thermal stress considerations predict that this approach will underestimate warming effects on species experiencing daily temperature fluctuations in nature. Here, we tested this prediction in a neotropical pseudoscorpion. Nymphs were reared in control and high-temperature treatments under a constant daily temperature regime, and results compared to a companion fluctuating-temperature study. At constant temperature, pseudoscorpions outperformed their fluctuating-temperature counterparts. Individuals were larger, developed faster, and males produced more sperm, and females more embryos. The greatest impact of temperature regime involved short-term, adult exposure, with constant temperature mitigating high-temperature effects on reproductive traits. Our findings demonstrate the importance of realistic temperature regimes in climate warming studies, and suggest that exploitation of microhabitats that dampen temperature oscillations may be critical in avoiding extinction as tropical climates warm.

Ro-vibrational averaging of the isotropic hyperfine coupling constant for the methyl radical

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

Adam, Ahmad Y.; Jensen, Per, E-mail: jensen@uni-wuppertal.de; Yachmenev, Andrey

2015-12-28

We present the first variational calculation of the isotropic hyperfine coupling constant of the carbon-13 atom in the CH{sub 3} radical for temperatures T = 0, 96, and 300 K. It is based on a newly calculated high level ab initio potential energy surface and hyperfine coupling constant surface of CH{sub 3} in the ground electronic state. The ro-vibrational energy levels, expectation values for the coupling constant, and its temperature dependence were calculated variationally by using the methods implemented in the computer program TROVE. Vibrational energies and vibrational and temperature effects for coupling constant are found to be in verymore » good agreement with the available experimental data. We found, in agreement with previous studies, that the vibrational effects constitute about 44% of the constant’s equilibrium value, originating mainly from the large amplitude out-of-plane bending motion and that the temperature effects play a minor role.« less

Defect-induced change of temperature-dependent elastic constants in BCC iron

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

Gao, N.; Setyawan, W.; Zhang, S. H.

2017-07-01

The effects of radiation-induced defects (randomly distributed vacancies, voids, and interstitial dislocation loops) on temperature-dependent elastic constants, C11, C12, and C44 in BCC iron, are studied with molecular dynamics method. The elastic constants are found to decrease with increasing temperatures for all cases containing different defects. The presence of vacancies, voids, or interstitial loops further decreases the elastic constants. For a given number of point defects, the randomly distributed vacancies show the strongest effect compared to voids or interstitial loops. All these results are expected to provide useful information to combine with experimental results for further understanding of radiation damage.

Effects of mucosal loading on vocal fold vibration.

PubMed

Tao, Chao; Jiang, Jack J

2009-06-01

A chain model was proposed in this study to examine the effects of mucosal loading on vocal fold vibration. Mucosal loading was defined as the loading caused by the interaction between the vocal folds and the surrounding tissue. In the proposed model, the vocal folds and the surrounding tissue were represented by a series of oscillators connected by a coupling spring. The lumped masses, springs, and dampers of the oscillators modeled the tissue properties of mass, stiffness, and viscosity, respectively. The coupling spring exemplified the tissue interactions. By numerically solving this chain model, the effects of mucosal loading on the phonation threshold pressure, phonation instability pressure, and energy distribution in a voice production system were studied. It was found that when mucosal loading is small, phonation threshold pressure increases with the damping constant R(r), the mass constant R(m), and the coupling constant R(mu) of mucosal loading but decreases with the stiffness constant R(k). Phonation instability pressure is also related to mucosal loading. It was found that phonation instability pressure increases with the coupling constant R(mu) but decreases with the stiffness constant R(k) of mucosal loading. Therefore, it was concluded that mucosal loading directly affects voice production.

Effects of mucosal loading on vocal fold vibration

NASA Astrophysics Data System (ADS)

Tao, Chao; Jiang, Jack J.

2009-06-01

A chain model was proposed in this study to examine the effects of mucosal loading on vocal fold vibration. Mucosal loading was defined as the loading caused by the interaction between the vocal folds and the surrounding tissue. In the proposed model, the vocal folds and the surrounding tissue were represented by a series of oscillators connected by a coupling spring. The lumped masses, springs, and dampers of the oscillators modeled the tissue properties of mass, stiffness, and viscosity, respectively. The coupling spring exemplified the tissue interactions. By numerically solving this chain model, the effects of mucosal loading on the phonation threshold pressure, phonation instability pressure, and energy distribution in a voice production system were studied. It was found that when mucosal loading is small, phonation threshold pressure increases with the damping constant Rr, the mass constant Rm, and the coupling constant Rμ of mucosal loading but decreases with the stiffness constant Rk. Phonation instability pressure is also related to mucosal loading. It was found that phonation instability pressure increases with the coupling constant Rμ but decreases with the stiffness constant Rk of mucosal loading. Therefore, it was concluded that mucosal loading directly affects voice production.

A LATTICE THEORY OF THE ELECTRO-OPTIC EFFECTS IN SEMICONDUCTORS.

DTIC Science & Technology

A unified lattice theory of the electro - optic effect in semiconductor crystals, which encompasses the piezo-electric and elasto-optic effects, is...presented. Expressions are derived for the constant stress and constant strain electro - optic coefficients and the results are specialized to crystals of the zincblende structure. (Author)

Predicted NMR properties of noble gas hydride cations RgH +

NASA Astrophysics Data System (ADS)

Cukras, Janusz; Sadlej, Joanna

2008-12-01

The NMR shielding constants and, for the first time, the spin-spin coupling constants of Rg and H in RgH + compounds for Rg = Ne, Ar, Kr, Xe have been investigated by non-relativistic Hartree-Fock (HF) and relativistic Dirac-Hartree-Fock (DHF) methods. Electron-correlation effects have been furthermore calculated using SOPPA and CCSD at the non-relativistic level. The correlation effects are large on both parameters and opposite to the relativistic effects. The results indicate that both the relativistic and correlation effects need to be taken into account in a quantitative computations, especially in the case of the spin-spin coupling constants.

Four-Component Relativistic Density-Functional Theory Calculations of Nuclear Spin-Rotation Constants: Relativistic Effects in p-Block Hydrides.

PubMed

Komorovsky, Stanislav; Repisky, Michal; Malkin, Elena; Demissie, Taye B; Ruud, Kenneth

2015-08-11

We present an implementation of the nuclear spin-rotation (SR) constants based on the relativistic four-component Dirac-Coulomb Hamiltonian. This formalism has been implemented in the framework of the Hartree-Fock and Kohn-Sham theory, allowing assessment of both pure and hybrid exchange-correlation functionals. In the density-functional theory (DFT) implementation of the response equations, a noncollinear generalized gradient approximation (GGA) has been used. The present approach enforces a restricted kinetic balance condition for the small-component basis at the integral level, leading to very efficient calculations of the property. We apply the methodology to study relativistic effects on the spin-rotation constants by performing calculations on XHn (n = 1-4) for all elements X in the p-block of the periodic table and comparing the effects of relativity on the nuclear SR tensors to that observed for the nuclear magnetic shielding tensors. Correlation effects as described by the density-functional theory are shown to be significant for the spin-rotation constants, whereas the differences between the use of GGA and hybrid density functionals are much smaller. Our calculated relativistic spin-rotation constants at the DFT level of theory are only in fair agreement with available experimental data. It is shown that the scaling of the relativistic effects for the spin-rotation constants (varying between Z(3.8) and Z(4.5)) is as strong as for the chemical shieldings but with a much smaller prefactor.

Effective transport properties of composites of spheres

NASA Astrophysics Data System (ADS)

Felderhof, B. U.

1994-06-01

The effective linear transport properties of composites of spheres may be studied by the methods of statistical physics. The analysis leads to an exact cluster expansion. The resulting expression for the transport coefficients may be evaluated approximately as the sum of a mean field contribution and correction terms, given by cluster integrals over two-sphere and three-sphere correlation functions. Calculations of this nature have been performed for the effective dielectric constant, as well as the effective elastic constants of composites of spheres. Accurate numerical data for the effective properties may be obtained by computer simulation. An efficient formulation uses multiple expansion in Cartesian coordinates and periodic boundary conditions. Extensive numerical results have been obtained for the effective dielectric constant of a suspension of randomly distributed spheres.

Independence of the effective dielectric constant of an electrolytic solution on the ionic distribution in the linear Poisson-Nernst-Planck model.

PubMed

Alexe-Ionescu, A L; Barbero, G; Lelidis, I

2014-08-28

We consider the influence of the spatial dependence of the ions distribution on the effective dielectric constant of an electrolytic solution. We show that in the linear version of the Poisson-Nernst-Planck model, the effective dielectric constant of the solution has to be considered independent of any ionic distribution induced by the external field. This result follows from the fact that, in the linear approximation of the Poisson-Nernst-Planck model, the redistribution of the ions in the solvent due to the external field gives rise to a variation of the dielectric constant that is of the first order in the effective potential, and therefore it has to be neglected in the Poisson's equation that relates the actual electric potential across the electrolytic cell to the bulk density of ions. The analysis is performed in the case where the electrodes are perfectly blocking and the adsorption at the electrodes is negligible, and in the absence of any ion dissociation-recombination effect.

A first-passage scheme for determination of overall rate constants for non-diffusion-limited suspensions

NASA Astrophysics Data System (ADS)

Lu, Shih-Yuan; Yen, Yi-Ming

2002-02-01

A first-passage scheme is devised to determine the overall rate constant of suspensions under the non-diffusion-limited condition. The original first-passage scheme developed for diffusion-limited processes is modified to account for the finite incorporation rate at the inclusion surface by using a concept of the nonzero survival probability of the diffusing entity at entity-inclusion encounters. This nonzero survival probability is obtained from solving a relevant boundary value problem. The new first-passage scheme is validated by an excellent agreement between overall rate constant results from the present development and from an accurate boundary collocation calculation for the three common spherical arrays [J. Chem. Phys. 109, 4985 (1998)], namely simple cubic, body-centered cubic, and face-centered cubic arrays, for a wide range of P and f. Here, P is a dimensionless quantity characterizing the relative rate of diffusion versus surface incorporation, and f is the volume fraction of the inclusion. The scheme is further applied to random spherical suspensions and to investigate the effect of inclusion coagulation on overall rate constants. It is found that randomness in inclusion arrangement tends to lower the overall rate constant for f up to the near close-packing value of the regular arrays because of the inclusion screening effect. This screening effect turns stronger for regular arrays when f is near and above the close-packing value of the regular arrays, and consequently the overall rate constant of the random array exceeds that of the regular array. Inclusion coagulation too induces the inclusion screening effect, and leads to lower overall rate constants.

Analysis of the Dielectric constant of saline-alkali soils and the effect on radar backscattering coefficient: a case study of soda alkaline saline soils in Western Jilin Province using RADARSAT-2 data.

PubMed

Li, Yang-yang; Zhao, Kai; Ren, Jian-hua; Ding, Yan-ling; Wu, Li-li

2014-01-01

Soil salinity is a global problem, especially in developing countries, which affects the environment and productivity of agriculture areas. Salt has a significant effect on the complex dielectric constant of wet soil. However, there is no suitable model to describe the variation in the backscattering coefficient due to changes in soil salinity content. The purpose of this paper is to use backscattering models to understand behaviors of the backscattering coefficient in saline soils based on the analysis of its dielectric constant. The effects of moisture and salinity on the dielectric constant by combined Dobson mixing model and seawater dielectric constant model are analyzed, and the backscattering coefficient is then simulated using the AIEM. Simultaneously, laboratory measurements were performed on ground samples. The frequency effect of the laboratory results was not the same as the simulated results. The frequency dependence of the ionic conductivity of an electrolyte solution is influenced by the ion's components. Finally, the simulated backscattering coefficients measured from the dielectric constant with the AIEM were analyzed using the extracted backscattering coefficient from the RADARSAT-2 image. The results show that RADARSAT-2 is potentially able to measure soil salinity; however, the mixed pixel problem needs to be more thoroughly considered.

Does 'anchor sleep' entrain circadian rhythms? Evidence from constant routine studies.

PubMed Central

Minors, D S; Waterhouse, J M

1983-01-01

Experiments have been performed in an isolation unit to investigate the effects of abnormal sleep-waking schedules upon circadian rhythms of renal excretion and deep-body temperature. In confirmation of previous work, nychthemeral rhythms appeared to be 'anchored' to a 24 h period if 4 h sleep was taken regularly each day, even though another 4 h was taken irregularly. The endogenous components were investigated by assessing circadian rhythmicity under constant routine conditions, that is, when rhythmic influences in the environment and sleep-waking pattern had been minimized. Analysis of the constant routine data indicated the presence of a rhythmic component which had been stabilized to a period of 24 h by the 'anchor sleep'. In addition, a delayed component was also present. The starting time of the constant routines produced a direct effect upon the rhythms, which was presumed to result from removing the 'masking' effect that sleep normally exerts upon rhythms. There was some evidence that the relative importance of the masking effect and the delayed component depended upon the variable under consideration. The implications of these findings, in terms of the effects of anchor sleep, the presence of more than one internal clock and the usefulness of constant routines, are discussed. PMID:6663508

Artifacts correction for T1rho imaging with constant amplitude spin-lock

NASA Astrophysics Data System (ADS)

Chen, Weitian

2017-01-01

T1rho imaging with constant amplitude spin-lock is prone to artifacts in the presence of B1 RF and B0 field inhomogeneity. Despite significant technological progress, improvements on the robustness of constant amplitude spin-lock are necessary in order to use it for routine clinical practice. This work proposes methods to simultaneously correct for B1 RF and B0 field inhomogeneity in constant amplitude spin-lock. By setting the maximum B1 amplitude of the excitation adiabatic pulses equal to the expected constant amplitude spin-lock frequency, the spins become aligned along the effective field throughout the spin-lock process. This results in T1rho-weighted images free of artifacts, despite the spatial variation of the effective field caused by B1 RF and B0 field inhomogeneity. When the pulse is long, the relaxation effect during the adiabatic half passage may result in a non-negligible error in the mono-exponential relaxation model. A two-acquisition approach is presented to solve this issue. Simulation, phantom, and in-vivo scans demonstrate the proposed methods achieve superior image quality compared to existing methods, and that the two-acquisition method is effective in resolving the relaxation effect during the adiabatic half passage.

Solvent Dependence of Double Proton Transfer in the Formic Acid-Formamidine Complex: Path Integral Molecular Dynamics Investigation.

PubMed

Kungwan, Nawee; Ngaojampa, Chanisorn; Ogata, Yudai; Kawatsu, Tsutomu; Oba, Yuki; Kawashima, Yukio; Tachikawa, Masanori

2017-10-05

Solvent dependence of double proton transfer in the formic acid-formamidine (FA-FN) complex at room temperature was investigated by means of ab initio path integral molecular dynamics (AIPIMD) simulation with taking nuclear quantum and thermal effects into account. The conductor-like screening model (COSMO) was applied for solvent effect. In comparison with gas phase, double proton delocalization between two heavy atoms (O and N) in FA-FN were observed with reduced proton transfer barrier height in low dielectric constant medium (<4.8). For dielectric constant medium at 4.8, the chance of finding these two protons are more pronounced due to the solvent effect which completely washes out the proton transfer barrier. In the case of higher dielectric constant medium (>4.8), the ionic species becomes more stable than the neutral ones and the formate anion and formamidium cation are thermodynamically stable. For ab initio molecular dynamics simulation, in low dielectric constant medium (<4.8) a reduction of proton transfer barrier with solvent effect is found to be less pronounced than the AIPIMD due to the absence of nuclear quantum effect. Moreover, the motions of FA-FN complex are significantly different with increasing dielectric constant medium. Such a difference is revealed in detail by the principal component analysis.

Effects of egg incubation condition on the post-hatching growth and performance of the snapping turtle, Chelydra serpentina

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

Ryan, Kathleen M.

1990-12-01

The effect of incubation temperature on the post-hatching growth and performance capacities of the common snapping turtle, Chelydra serpentina was investigated in the laboratory. Turtle eggs were collected from four sites in New York State and randomly assigned to four incubation temperature treatments to produce males (constant 26°C and downshifted 30-26-30°C) and females (constant 30°C and upshifted 26-30-26°C) under constant and altered temperature regimes. The incubation conditions resulted in 92% males from the constant 26°C group and 93% males from the downshifted group. 100% females resulted from both the constant 30°C group and the upshifted group. Turtles hatching from eggsmore » incubated constantly at 26°C were significantly larger than hatchlings from eggs incubated at a constant 30°C or downshifted. Hatchlings were raised in individual aquaria at 25°C and fed earthworms and fish. After a 9-month growth period, turtles which had been incubated at a constant 30°C gained significantly more mass than did turtles from eggs which had been downshifted or upshifted. There was no extended effect of incubation condition on Post-hatching performance and learning ability as measured by righting and feeding responses. Thus, the mass gain differences seen in this study suggest that physiological differences do result as the consequence of incubation condition. However, these physiological differences are not reflected in normal locomotive or feeding behavior.« less

Effects of egg incubation condition on the post-hatching growth and performance of the snapping turtle, Chelydra serpentina

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

Ryan, K.M.

1990-12-01

The effect of incubation temperature on the post-hatching growth and performance capacities of the common snapping turtle, Chelydra serpentina was investigated in the laboratory. Turtle eggs were collected from four sites in New York State and randomly assigned to four incubation temperature treatments to produce males (constant 26[degree]C and downshifted 30-26-30[degree]C) and females (constant 30[degree]C and upshifted 26-30-26[degree]C) under constant and altered temperature regimes. The incubation conditions resulted in 92% males from the constant 26[degree]C group and 93% males from the downshifted group. 100% females resulted from both the constant 30[degree]C group and the upshifted group. Turtles hatching from eggsmore » incubated constantly at 26[degree]C were significantly larger than hatchlings from eggs incubated at a constant 30[degree]C or downshifted. Hatchlings were raised in individual aquaria at 25[degree]C and fed earthworms and fish. After a 9-month growth period, turtles which had been incubated at a constant 30[degree]C gained significantly more mass than did turtles from eggs which had been downshifted or upshifted. There was no extended effect of incubation condition on Post-hatching performance and learning ability as measured by righting and feeding responses. Thus, the mass gain differences seen in this study suggest that physiological differences do result as the consequence of incubation condition. However, these physiological differences are not reflected in normal locomotive or feeding behavior.« less

Micromechanical Prediction of the Effective Coefficients of Thermo-Piezoelectric Multiphase Composites

NASA Technical Reports Server (NTRS)

Aboudi, Jacob

1998-01-01

The micromechanical generalized method of cells model is employed for the prediction of the effective elastic, piezoelectric, dielectric, pyroelectric and thermal-expansion constants of multiphase composites with embedded piezoelectric materials. The predicted effective constants are compared with other micromechanical methods available in the literature and good agreements are obtained.

The Effect of Temperature on the Enzyme-Catalyzed Reaction: Insights from Thermodynamics

ERIC Educational Resources Information Center

Aledo, Juan Carlos; Jimenez-Riveres, Susana; Tena, Manuel

2010-01-01

When teaching the effect of temperature on biochemical reactions, the problem is usually oversimplified by confining the thermal effect to the catalytic constant, which is identified with the rate constant of the elementary limiting step. Therefore, only positive values for activation energies and values greater than 1 for temperature coefficients…

The computational analysis and modelling of substitution effects on hydrolysis of formanilides in acidic aqueous solutions

NASA Astrophysics Data System (ADS)

Lukeš, Vladimír; Škorňa, Peter; Michalík, Martin; Klein, Erik

2017-11-01

Various para, meta and ortho substituted formanilides have been theoretically studied. For trans and cis-isomers of non-substituted formanilide, the calculated B3LYP vibration normal modes were analyzed. Substituent effect on the selected normal modes was described and the comparison with the available experimental data is presented. The calculated B3LYP proton affinities were correlated with Hammett constants, Fujita-Nishioka equation and the rate constants of the hydrolysis in 1 M HCl. Found linear dependences allow predictions of dissociation constants (pKBH+) and hydrolysis rate constants. Obtained results indicate that protonation of amide group may represent the rate determining step of acid catalyzed hydrolysis.

Effects of constant and cyclical thermal regimes on growth and feeding of juvenile cutthroat trout of variable sizes

Treesearch

M. H. Meeuwig; J. B. Dunham; J. P. Hayes; G. L. Vinyard

2004-01-01

The effects of constant (12, 18, and 24°C) and cyclical (daily variation of 15–21 and 12–24 °C) thermal regimes on the growth and feeding of Lahontan cutthroat trout (Oncorhynchus clarki henshawi) of variable sizes were examined. Higher constant temperatures (i.e., 24°C) and more variable daily temperatures (i.e., 12–24°C daily cycle) negatively...

Calculation of individual isotope equilibrium constants for geochemical reactions

USGS Publications Warehouse

Thorstenson, D.C.; Parkhurst, D.L.

2004-01-01

Theory is derived from the work of Urey (Urey H. C. [1947] The thermodynamic properties of isotopic substances. J. Chem. Soc. 562-581) to calculate equilibrium constants commonly used in geochemical equilibrium and reaction-transport models for reactions of individual isotopic species. Urey showed that equilibrium constants of isotope exchange reactions for molecules that contain two or more atoms of the same element in equivalent positions are related to isotope fractionation factors by ?? = (Kex)1/n, where n is the number of atoms exchanged. This relation is extended to include species containing multiple isotopes, for example 13C16O18O and 1H2H18O. The equilibrium constants of the isotope exchange reactions can be expressed as ratios of individual isotope equilibrium constants for geochemical reactions. Knowledge of the equilibrium constant for the dominant isotopic species can then be used to calculate the individual isotope equilibrium constants. Individual isotope equilibrium constants are calculated for the reaction CO2g = CO2aq for all species that can be formed from 12C, 13C, 16O, and 18O; for the reaction between 12C18 O2aq and 1H218Ol; and among the various 1H, 2H, 16O, and 18O species of H2O. This is a subset of a larger number of equilibrium constants calculated elsewhere (Thorstenson D. C. and Parkhurst D. L. [2002] Calculation of individual isotope equilibrium constants for implementation in geochemical models. Water-Resources Investigation Report 02-4172. U.S. Geological Survey). Activity coefficients, activity-concentration conventions for the isotopic variants of H2O in the solvent 1H216Ol, and salt effects on isotope fractionation have been included in the derivations. The effects of nonideality are small because of the chemical similarity of different isotopic species of the same molecule or ion. The temperature dependence of the individual isotope equilibrium constants can be calculated from the temperature dependence of the fractionation factors. The derivations can be extended to calculation of individual isotope equilibrium constants for ion pairs and equilibrium constants for isotopic species of other chemical elements. The individual isotope approach calculates the same phase isotopic compositions as existing methods, but also provides concentrations of individual species, which are needed in calculations of mass-dependent effects in transport processes. The equilibrium constants derived in this paper are used to calculate the example of gas-water equilibrium for CO2 in an acidic aqueous solution. ?? 2004 Elsevier Ltd.

Calculation of spin-densities within the context of density functional theory. The crucial role of the correlation functional

NASA Astrophysics Data System (ADS)

Filatov, Michael; Cremer, Dieter

2005-09-01

It is demonstrated that the LYP correlation functional is not suited to be used for the calculation of electron spin resonance hyperfine structure (HFS) constants, nuclear magnetic resonance spin-spin coupling constants, magnetic, shieldings and other properties that require a balanced account of opposite- and equal-spin correlation, especially in the core region. In the case of the HFS constants of alkali atoms, LYP exaggerates opposite-spin correlation effects thus invoking too strong in-out correlation effects, an exaggerated spin-polarization pattern in the core shells of the atoms, and, consequently, too large HFS constants. Any correlation functional that provides a balanced account of opposite- and equal-spin correlation leads to improved HFS constants, which is proven by comparing results obtained with the LYP and the PW91 correlation functional. It is suggested that specific response properties are calculated with the PW91 rather than the LYP correlation functional.

Regional Myocardial Blood Flow*

PubMed Central

Sullivan, Jay M.; Taylor, Warren J.; Elliott, William C.; Gorlin, Richard

1967-01-01

A method is described which measures the local effectiveness of the myocardial circulation, expressed as a clearance constant. Uniform clearance constants have been demonstrated in the normal canine and human myocardium. A distinct difference in clearance constants has been demonstrated between the normal canine myocardium and areas of naturally occurring disease. Heterogeneous clearance constants have been found in a majority of human subjects with coronary artery disease—the lowest rates being noted in areas of fibrous aneurysm. PMID:6036537

Incorporation of surface albedo-temperature feedback in a one-dimensional radiative-connective climate model

NASA Technical Reports Server (NTRS)

Wang, W. C.; Stone, P. H.

1979-01-01

The feedback between ice snow albedo and temperature is included in a one dimensional radiative convective climate model. The effect of this feedback on sensitivity to changes in solar constant is studied for the current values of the solar constant and cloud characteristics. The ice snow albedo feedback amplifies global climate sensitivity by 33% and 50%, respectively, for assumptions of constant cloud altitude and constant cloud temperature.

EFFECTIVE ACIDITY CONSTANT BEHAVIOR NEAR ZERO CHARGE CONDITIONS

EPA Science Inventory

Surface site (>SOH group) acidity reactions require expressions of the form: Ka = [>SOHn-1(z-1)]aH+EXP(-DG/RT)/[>SOHnz] (where all variables have their usual meaning). One can rearrange this expression to generate an effective acidity constant historically defined as: Qa = Ka...

ELECTROLYTIC SOLUTIONS. Annual Progress Report, May 1, 1962-June 1, 1963

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

Braunstein, J.

Results of investigations of the thermodynamics of association in molten salts and in concentrated aqueous electrolyte solutions are reported. Association constants of Pb(II) with chloride or bromide and of Cd(II) with chloride or bromide in molten mixtures of LiNC/sub 3/ and KNO/sub 3/ were measured potentiometrically at several temperatures and compared with previous results in mixtures of NaNO/sub 3/ and KNO/sub 3/. The anomalous'' solvent effect of lithium ion, reported previously for the association of Cd(II) with bromide was observed aiso for the other associations and a tentative explanation is suggested. The temperature dependence of the association constants was foundmore » to be in agreement with the quasi-lattice model. The association constant of Ag(I) with iodide in molten mixtures of NaNO/sub 3/ and KNO/sub 3/ was measured and compared with previous results in pure KNO/sub 3/. The solvent effect was consistent with the reciprocal coulomb effect.'' Techniques were developed, and preliminary results obtained for measuring association constants in the solvent system KNO/sub 3/--Ca(NO/sub 3/)/sub 2/ in order to investigate the effect of charge as well as size of solvent cation on association constants in molten salt solutions. The measurement of association constants in concentrated aqueous electrolyte solutions was continued. The association of Cd(II) with bromide in aqueous LiNC/sub 3/ was measured as part of a program to find a system that would lend itself to investigation over the range between anhydrous molten salt and aqueous electrolyte solution. Cells and electrodes were developed for investigating association constants in equimolar LiNO/sub 3/ -KNO/sub 3/ with controlled small water contents, and preliminary results are reported. (auth)« less

Thickness Dependence of the Dzyaloshinskii-Moriya Interaction in Co2 FeAl Ultrathin Films: Effects of Annealing Temperature and Heavy-Metal Material

NASA Astrophysics Data System (ADS)

Belmeguenai, M.; Roussigné, Y.; Bouloussa, H.; Chérif, S. M.; Stashkevich, A.; Nasui, M.; Gabor, M. S.; Mora-Hernández, A.; Nicholson, B.; Inyang, O.-O.; Hindmarch, A. T.; Bouchenoire, L.

2018-04-01

The interfacial Dzyaloshinskii-Moriya interaction (IDMI) is investigated in Co2FeAl (CFA) ultrathin films of various thicknesses (0.8 nm ≤tCFA≤2 nm ) grown by sputtering on Si substrates, using Pt, W, Ir, and MgO buffer or/and capping layers. Vibrating sample magnetometry reveals that the magnetization at saturation (Ms ) for the Pt- and Ir-buffered films is higher than the usual Ms of CFA due to the proximity-induced magnetization (PIM) in Ir and Pt estimated to be 19% and 27%, respectively. The presence of PIM in these materials is confirmed using x-ray resonant magnetic reflectivity. Moreover, while no PIM is induced in W, higher PIM is obtained with Pt when it is used as a buffer layer rather than a capping layer. Brillouin light scattering in the Damon-Eshbach geometry is used to investigate the thickness dependences of the IDMI constants from the spin-wave nonreciprocity and the perpendicular anisotropy field versus the annealing temperature. The IDMI sign is found to be negative for Pt /CFA and Ir /CFA , while it is positive for W /CFA . The thickness dependence of the effective IDMI constant for stacks involving Pt and W shows the existence of two regimes similar to that of the perpendicular anisotropy constant due to the degradation of the interfaces as the CFA thickness approaches a critical thickness. The surface IDMI and anisotropy constants of each stack are determined for the thickest samples where a linear thickness dependence of the effective IDMI constant and the effective magnetization are observed. The interface anisotropy and IDMI constants investigated for the Pt /CFA /MgO system show different trends with the annealing temperature. The decrease of the IDMI constant with increasing annealing temperature is probably due to the electronic structure changes at the interfaces, while the increase of the interface anisotropy constant is coherent with the interface quality and disorder enhancement.

Coupling time constants of striated and copper-plated coated conductors and the potential of striation to reduce shielding-current-induced fields in pancake coils

NASA Astrophysics Data System (ADS)

Amemiya, Naoyuki; Tominaga, Naoki; Toyomoto, Ryuki; Nishimoto, Takuma; Sogabe, Yusuke; Yamano, Satoshi; Sakamoto, Hisaki

2018-07-01

The shielding-current-induced field is a serious concern for the applications of coated conductors to magnets. The striation of the coated conductor is one of the countermeasures, but it is effective only after the decay of the coupling current, which is characterised with the coupling time constant. In a non-twisted striated coated conductor, the coupling time constant is determined primarily by its length and the transverse resistance between superconductor filaments, because the coupling current could flow along its entire length. We measured and numerically calculated the frequency dependences of magnetisation losses in striated and copper-plated coated conductors with various lengths and their stacks at 77 K and determined their coupling time constants. Stacked conductors simulate the turns of a conductor wound into a pancake coil. Coupling time constants are proportional to the square of the conductor length. Stacking striated coated conductors increases the coupling time constants because the coupling currents in stacked conductors are coupled to one another magnetically to increase the mutual inductances for the coupling current paths. We carried out the numerical electromagnetic field analysis of conductors wound into pancake coils and determined their coupling time constants. They can be explained by the length dependence and mutual coupling effect observed in stacked straight conductors. Even in pancake coils with practical numbers of turns, i.e. conductor lengths, the striation is effective to reduce the shielding-current-induced fields for some dc applications.

Note on the initial conditions within the effective field theory approach of cosmic acceleration

NASA Astrophysics Data System (ADS)

Liu, Xue-Wen; Hu, Bin; Zhang, Yi

2017-12-01

By using the effective field theory approach, we investigate the role of initial conditions for the dark energy or modified gravity models. In detail, we consider the constant and linear parametrization of the effective Newton constant models. First, under the adiabatic assumption, the correction from the extra scalar degree of freedom in the beyond Λ CDM model is found to be negligible. The dominant ingredient in this setup is the primordial curvature perturbation originated from the inflation mechanism, and the energy budget of the matter components is not very crucial. Second, the isocurvature perturbation sourced by the extra scalar field is studied. For the constant and linear models of the effective Newton constant, no such kind of scalar mode exists. For the quadratic model, there is a nontrivial one. However, the amplitude of the scalar field is damped away very fast on all scales. Consequently, it could not support a reasonable structure formation. Finally, we study the importance of the setup of the scalar field starting time. By setting different turn-on times, namely, a =10-2 and a =10-7, we compare the cosmic microwave background radiation temperature, lensing deflection angle autocorrelation function, and the matter power spectrum in the constant and linear models. We find there is an order of O (1 %) difference in the observable spectra for constant model, while for the linear model, it is smaller than O (0.1 %).

HO + CO reaction rates and H/D kinetic isotope effects: master equation models with ab initio SCTST rate constants.

PubMed

Weston, Ralph E; Nguyen, Thanh Lam; Stanton, John F; Barker, John R

2013-02-07

Ab initio microcanonical rate constants were computed using Semi-Classical Transition State Theory (SCTST) and used in two master equation formulations (1D, depending on active energy with centrifugal corrections, and 2D, depending on total energy and angular momentum) to compute temperature-dependent rate constants for the title reactions using a potential energy surface obtained by sophisticated ab initio calculations. The 2D master equation was used at the P = 0 and P = ∞ limits, while the 1D master equation with centrifugal corrections and an empirical energy transfer parameter could be used over the entire pressure range. Rate constants were computed for 75 K ≤ T ≤ 2500 K and 0 ≤ [He] ≤ 10(23) cm(-3). For all temperatures and pressures important for combustion and for the terrestrial atmosphere, the agreement with the experimental rate constants is very good, but at very high pressures and T ≤ 200 K, the theoretical rate constants are significantly smaller than the experimental values. This effect is possibly due to the presence in the experiments of dimers and prereactive complexes, which were not included in the model calculations. The computed H/D kinetic isotope effects are in acceptable agreement with experimental data, which show considerable scatter. Overall, the agreement between experimental and theoretical H/D kinetic isotope effects is much better than in previous work, and an assumption of non-RRKM behavior does not appear to be needed to reproduce experimental observations.

Large Electro-Optic Kerr Effect in Ionic Liquid Crystals: Connecting Features of Liquid Crystals and Polyelectrolytes.

PubMed

Schlick, M Christian; Kapernaum, Nadia; Neidhardt, Manuel M; Wöhrle, Tobias; Stöckl, Yannick; Laschat, Sabine; Giesselmann, Frank

2018-06-06

The electro-optic Kerr effect in simple dipolar fluids such as nitrobenzene has been widely applied in electro-optical phase modulators and light shutters. In 2005, the discovery of the large Kerr effect in liquid-crystalline blue phases (Y. Hisakado et al., Adv. Mater. 2005, 17, 96-98.) gave new directions to the search for advanced Kerr effect materials. Even though the Kerr effect is present in all transparent and optically isotropic media, it is well known that the effect can be anomalously large in complex fluids, namely in the isotropic phase of liquid crystals or in polyelectrolyte solutions. Herein, it is shown that the Kerr effect in the isotropic phase of ionic liquid crystals combines the effective counterion polarization mechanism found in polyelectrolytes and the unique pretransitional growth of the Kerr constant found in the isotropic phase of nematic liquid crystals. Maximum Kerr constants in the order of several 10 -11  m V -2 (ten times higher than the Kerr constant of the toxic nitrobenzene and less temperature sensitive than Kerr constants of nematic liquid crystals) make ionic liquid crystals attractive as new class of functional materials in low-speed Kerr effect applications. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Cosmic acceleration in the nonlocal approach to the cosmological constant problem

NASA Astrophysics Data System (ADS)

Oda, Ichiro

2018-04-01

We have recently constructed a manifestly local formulation of a nonlocal approach to the cosmological constant problem which can treat with quantum effects from both matter and gravitational fields. In this formulation, it has been explicitly shown that the effective cosmological constant is radiatively stable even in the presence of the gravitational loop effects. Since we are naturally led to add the R^2 term and the corresponding topological action to an original action, we make use of this formulation to account for the late-time acceleration of expansion of the universe in case of the open universes with infinite space-time volume. We will see that when the "scalaron", which exists in the R^2 gravity as an extra scalar field, has a tiny mass of the order of magnitude {O}(1 meV), we can explain the current value of the cosmological constant in a consistent manner.

Constant DI pacing suppresses cardiac alternans formation in numerical cable models

NASA Astrophysics Data System (ADS)

Zlochiver, S.; Johnson, C.; Tolkacheva, E. G.

2017-09-01

Cardiac repolarization alternans describe the sequential alternation of the action potential duration (APD) and can develop during rapid pacing. In the ventricles, such alternans may rapidly turn into life risking arrhythmias under conditions of spatial heterogeneity. Thus, suppression of alternans by artificial pacing protocols, or alternans control, has been the subject of numerous theoretical, numerical, and experimental studies. Yet, previous attempts that were inspired by chaos control theories were successful only for a short spatial extent (<2 cm) from the pacing electrode. Previously, we demonstrated in a single cell model that pacing with a constant diastolic interval (DI) can suppress the formation of alternans at high rates of activation. We attributed this effect to the elimination of feedback between the pacing cycle length and the last APD, effectively preventing restitution-dependent alternans from developing. Here, we extend this idea into cable models to study the extent by which constant DI pacing can control alternans during wave propagation conditions. Constant DI pacing was applied to ventricular cable models of up to 5 cm, using human kinetics. Our results show that constant DI pacing significantly shifts the onset of both cardiac alternans and conduction blocks to higher pacing rates in comparison to pacing with constant cycle length. We also demonstrate that constant DI pacing reduces the propensity of spatially discordant alternans, a precursor of wavebreaks. We finally found that the protective effect of constant DI pacing is stronger for increased electrotonic coupling along the fiber in the sense that the onset of alternans is further shifted to higher activation rates. Overall, these results support the potential clinical applicability of such type of pacing in improving protocols of implanted pacemakers, in order to reduce the risk of life-threatening arrhythmias. Future research should be conducted in order to experimentally validate these promising results.

Effective Torsion and Spring Constants in a Hybrid Translational-Rotational Oscillator

ERIC Educational Resources Information Center

Nakhoda, Zein; Taylor, Ken

2011-01-01

A torsion oscillator is a vibrating system that experiences a restoring torque given by [tau] = -[kappa][theta] when it experiences a rotational displacement [theta] from its equilibrium position. The torsion constant [kappa] (kappa) is analogous to the spring constant "k" for the traditional translational oscillator (for which the restoring force…

Using Constant Time Delay to Teach Braille Word Recognition

ERIC Educational Resources Information Center

Hooper, Jonathan; Ivy, Sarah; Hatton, Deborah

2014-01-01

Introduction: Constant time delay has been identified as an evidence-based practice to teach print sight words and picture recognition (Browder, Ahlbrim-Delzell, Spooner, Mims, & Baker, 2009). For the study presented here, we tested the effectiveness of constant time delay to teach new braille words. Methods: A single-subject multiple baseline…

On the Dielectric Constant for Acetanilide: Experimental Measurements and Effect on Energy Transport

NASA Astrophysics Data System (ADS)

Careri, G.; Compatangelo, E.; Christiansen, P. L.; Halding, J.; Skovgaard, O.

1987-01-01

Experimental measurements of the dielectric constant for crystalline acetanilide powder for temperatures ranging from - 140°C to 20°C and for different hydration levels are presented. A Davydov-soliton computer model predicts dramatic changes in the energy transport and storage for typically increased values of the dielectric constant.

Prediction of Chain Propagation Rate Constants of Polymerization Reactions in Aqueous NIPAM/BIS and VCL/BIS Systems.

PubMed

Kröger, Leif C; Kopp, Wassja A; Leonhard, Kai

2017-04-06

Microgels have a wide range of possible applications and are therefore studied with increasing interest. Nonetheless, the microgel synthesis process and some of the resulting properties of the microgels, such as the cross-linker distribution within the microgels, are not yet fully understood. An in-depth understanding of the synthesis process is crucial for designing tailored microgels with desired properties. In this work, rate constants and reaction enthalpies of chain propagation reactions in aqueous N-isopropylacrylamide/N,N'-methylenebisacrylamide and aqueous N-vinylcaprolactam/N,N'-methylenebisacrylamide systems are calculated to identify the possible sources of an inhomogeneous cross-linker distribution in the resulting microgels. Gas-phase reaction rate constants are calculated from B2PLYPD3/aug-cc-pVTZ energies and B3LYPD3/tzvp geometries and frequencies. Then, solvation effects based on COSMO-RS are incorporated into the rate constants to obtain the desired liquid-phase reaction rate constants. The rate constants agree with experiments within a factor of 2-10, and the reaction enthalpies deviate less than 5 kJ/mol. Further, the effect of rate constants on the microgel growth process is analyzed, and it is shown that differences in the magnitude of the reaction rate constants are a source of an inhomogeneous cross-linker distribution within the resulting microgel.

Mechanical modeling and characteristic study for the adhesive contact of elastic layered media

NASA Astrophysics Data System (ADS)

Zhang, Yuyan; Wang, Xiaoli; Tu, Qiaoan; Sun, Jianjun; Ma, Chenbo

2017-11-01

This paper investigates the adhesive contact between a smooth rigid sphere and a smooth elastic layered medium with different layer thicknesses, layer-to-substrate elastic modulus ratios and adhesion energy ratios. A numerical model is established by combining elastic responses of the contact system and an equation of equivalent adhesive contact pressure which is derived based on the Hamaker summation method and the Lennard-Jones intermolecular potential law. Simulation results for hard layer cases demonstrate that variation trends of the pull-off force with the layer thickness and elastic modulus ratio are complex. On one hand, when the elastic modulus ratio increases, the pull-off force decreases at smaller layer thicknesses, decreases at first and then increases at middle layer thicknesses, while increases monotonously at larger layer thicknesses. On the other hand, the pull-off force decreases at first and then increases with the increase in the layer thickness. Furthermore, a critical layer thickness above which the introduction of hard layer cannot reduce adhesion and an optimum layer thickness under which the pull-off force reaches a minimum are found. Both the critical and optimum layer thicknesses become larger with an increase in the Tabor parameter, while they tend to decrease with the increase in the elastic modulus ratio. In addition, the pull-off force increases sublinearly with the adhesion energy ratio if the layer thickness and elastic modulus ratio are fixed.

A model to estimate the size of nanoparticle agglomerates in gas-solid fluidized beds

NASA Astrophysics Data System (ADS)

de Martín, Lilian; van Ommen, J. Ruud

2013-11-01

The estimation of nanoparticle agglomerates' size in fluidized beds remains an open challenge, mainly due to the difficulty of characterizing the inter-agglomerate van der Waals force. The current approach is to describe micron-sized nanoparticle agglomerates as micron-sized particles with 0.1-0.2-μm asperities. This simplification does not capture the influence of the particle size on the van der Waals attraction between agglomerates. In this paper, we propose a new description where the agglomerates are micron-sized particles with nanoparticles on the surface, acting as asperities. As opposed to previous models, here the van der Waals force between agglomerates decreases with an increase in the particle size. We have also included an additional force due to the hydrogen bond formation between the surfaces of hydrophilic and dry nanoparticles. The average size of the fluidized agglomerates has been estimated equating the attractive force obtained from this method to the weight of the individual agglomerates. The results have been compared to 54 experimental values, most of them collected from the literature. Our model approximates without a systematic error the size of most of the nanopowders, both in conventional and centrifugal fluidized beds, outperforming current models. Although simple, the model is able to capture the influence of the nanoparticle size, particle density, and Hamaker coefficient on the inter-agglomerate forces.

Salting Constants of Small Organic Molecules in Aerosol-Relevant Salts and Application to Aerosol Formation in the Southeastern United States

NASA Astrophysics Data System (ADS)

Waxman, E.; Carlton, A. M. G.; Ziemann, P. J.; Volkamer, R. M.

2014-12-01

Secondary organic aerosol (SOA) formation from small water-soluble molecules such as glyoxal and methyl glyoxal is a topic of emerging interest. Results from recent field campaigns, e.g. Waxman et al. (2013, GRL) and Knote et al. (2014, ACP), show that these molecules can form significant SOA mass as a result of 'salting-in'. Salting-in happens when a molecule's solubility increases with salt concentration and salting-out is the reverse. Salting effects modify the solubility exponentially with increasing salt concentration, and thus the effective Henry's law constant can strongly modify partitioning, and multiphase chemical reaction rates in aerosol water. Moreover, the solubility in aerosol water cannot easily inferred based on the solubility in cloud water, as the salting effects could change the solubility by a factor of 104 or more. In this work, we have devised and applied a novel experimental setup to measure salting constants using an ion trap mass spectrometer. We focus on small, water soluble molecules like methyl glyoxal and similar compounds and measure salting constants for aerosol-relevant salts including ammonium sulfate, ammonium nitrate, and sodium chloride. The Setschenow salting-constant values are then used to parameterize the effects of salting in CMAQ. We present a series of sensitivity studies of the effects that inorganic aerosols have on the SOA formation from small soluble molecules in the southeastern United States.

First example of a high-level correlated calculation of the indirect spin-spin coupling constants involving tellurium: tellurophene and divinyl telluride.

PubMed

Rusakov, Yury Yu; Krivdin, Leonid B; Østerstrøm, Freja F; Sauer, Stephan P A; Potapov, Vladimir A; Amosova, Svetlana V

2013-08-21

This paper documents the very first example of a high-level correlated calculation of spin-spin coupling constants involving tellurium taking into account relativistic effects, vibrational corrections and solvent effects for medium sized organotellurium molecules. The (125)Te-(1)H spin-spin coupling constants of tellurophene and divinyl telluride were calculated at the SOPPA and DFT levels, in good agreement with experimental data. A new full-electron basis set, av3z-J, for tellurium derived from the "relativistic" Dyall's basis set, dyall.av3z, and specifically optimized for the correlated calculations of spin-spin coupling constants involving tellurium was developed. The SOPPA method shows a much better performance compared to DFT, if relativistic effects calculated within the ZORA scheme are taken into account. Vibrational and solvent corrections are next to negligible, while conformational averaging is of prime importance in the calculation of (125)Te-(1)H spin-spin couplings. Based on the performed calculations at the SOPPA(CCSD) level, a marked stereospecificity of geminal and vicinal (125)Te-(1)H spin-spin coupling constants originating in the orientational lone pair effect of tellurium has been established, which opens a new guideline in organotellurium stereochemistry.

Use of Constant Time Delay and Attentional Responses with Adolescents.

ERIC Educational Resources Information Center

Wolery, Mark; And Others

1991-01-01

This study examined effectiveness of a constant time delay (CTD) procedure in teaching social studies and health facts to five adolescents with learning or behavioral disorders. Students were given praise with and without additional information. Results indicated CTD procedures were reliable and effective, and students acquired nontargeted as well…

Constant-current control method of multi-function electromagnetic transmitter.

PubMed

Xue, Kaichang; Zhou, Fengdao; Wang, Shuang; Lin, Jun

2015-02-01

Based on the requirements of controlled source audio-frequency magnetotelluric, DC resistivity, and induced polarization, a constant-current control method is proposed. Using the required current waveforms in prospecting as a standard, the causes of current waveform distortion and current waveform distortion's effects on prospecting are analyzed. A cascaded topology is adopted to achieve 40 kW constant-current transmitter. The responsive speed and precision are analyzed. According to the power circuit of the transmitting system, the circuit structure of the pulse width modulation (PWM) constant-current controller is designed. After establishing the power circuit model of the transmitting system and the PWM constant-current controller model, analyzing the influence of ripple current, and designing an open-loop transfer function according to the amplitude-frequency characteristic curves, the parameters of the PWM constant-current controller are determined. The open-loop transfer function indicates that the loop gain is no less than 28 dB below 160 Hz, which assures the responsive speed of the transmitting system; the phase margin is 45°, which assures the stabilization of the transmitting system. Experimental results verify that the proposed constant-current control method can keep the control error below 4% and can effectively suppress load change caused by the capacitance of earth load.

Constant-current control method of multi-function electromagnetic transmitter

NASA Astrophysics Data System (ADS)

Xue, Kaichang; Zhou, Fengdao; Wang, Shuang; Lin, Jun

2015-02-01

Based on the requirements of controlled source audio-frequency magnetotelluric, DC resistivity, and induced polarization, a constant-current control method is proposed. Using the required current waveforms in prospecting as a standard, the causes of current waveform distortion and current waveform distortion's effects on prospecting are analyzed. A cascaded topology is adopted to achieve 40 kW constant-current transmitter. The responsive speed and precision are analyzed. According to the power circuit of the transmitting system, the circuit structure of the pulse width modulation (PWM) constant-current controller is designed. After establishing the power circuit model of the transmitting system and the PWM constant-current controller model, analyzing the influence of ripple current, and designing an open-loop transfer function according to the amplitude-frequency characteristic curves, the parameters of the PWM constant-current controller are determined. The open-loop transfer function indicates that the loop gain is no less than 28 dB below 160 Hz, which assures the responsive speed of the transmitting system; the phase margin is 45°, which assures the stabilization of the transmitting system. Experimental results verify that the proposed constant-current control method can keep the control error below 4% and can effectively suppress load change caused by the capacitance of earth load.

[Key physical parameters of hawthorn leaf granules by stepwise regression analysis method].

PubMed

Jiang, Qie-Ying; Zeng, Rong-Gui; Li, Zhe; Luo, Juan; Zhao, Guo-Wei; Lv, Dan; Liao, Zheng-Gen

2017-05-01

The purpose of this study was to investigate the effect of key physical properties of hawthorn leaf granule on its dissolution behavior. Hawthorn leaves extract was utilized as a model drug. The extract was mixed with microcrystalline cellulose or starch with the same ratio by using different methods. Appropriate amount of lubricant and disintegrating agent was added into part of the mixed powder, and then the granules were prepared by using extrusion granulation and high shear granulation. The granules dissolution behavior was evaluated by using equilibrium dissolution quantity and dissolution rate constant of the hypericin as the indicators. Then the effect of physical properties on dissolution behavior was analyzed through the stepwise regression analysis method. The equilibrium dissolution quantity of hypericin and adsorption heat constant in hawthorn leaves were positively correlated with the monolayer adsorption capacity and negatively correlated with the moisture absorption rate constant. The dissolution rate constants were decreased with the increase of Hausner rate, monolayer adsorption capacity and adsorption heat constant, and were increased with the increase of Carr index and specific surface area. Adsorption heat constant, monolayer adsorption capacity, moisture absorption rate constant, Carr index and specific surface area were the key physical properties of hawthorn leaf granule to affect its dissolution behavior. Copyright© by the Chinese Pharmaceutical Association.

Reproductive toxicity of monocrotophos to bobwhite quail

USGS Publications Warehouse

Stromborg, K.L.

1986-01-01

Pairs of 1st-year breeding bobwhites were fed constant or decreasing concentrations of monocrotophos for 15 days. In addition, a control diet was used in a pair-fed group matched with the pairs in the constant group. Dietary concentrations for the constant group were logarithmically spaced at .100, .178, .316, .562, 1.000 ppm of actual insecticide and also at 0 ppm (control) for five pairs at each concentration. The beginning concentrations for the decreasing pairs were identical to the constant group but regularly decreased to reach 25% of the starting concentrations by Day 13. Food consumption, egg production, hatchability of eggs under artificial incubation, and survival of hatched chicks for 2 weeks were recorded pairwise during 15-day treatment and 14-day posttreatment periods. Mortality was high at the greatest constant concentration and in the associated pair-fed group. Food consumption and egg production rates were negatively dose-related during the treatment period in the constant and decreasing groups. The laying rate of pair-fed hens was reduced to the same extent as in the constant group. Reproductive inhibition was not permanent, and pairs resumed laying after a dose-related recovery interval. No dose-related effects on hatchability or chick survival were detected. There was no evidence of a pesticide effect on reproduction other than that exerted through pesticide-induced anorexia.

The Effects of Varied versus Constant High-, Medium-, and Low-Preference Stimuli on Performance

ERIC Educational Resources Information Center

Wine, Byron; Wilder, David A.

2009-01-01

The purpose of the current study was to compare the delivery of varied versus constant high-, medium-, and low-preference stimuli on performance of 2 adults on a computer-based task in an analogue employment setting. For both participants, constant delivery of the high-preference stimulus produced the greatest increases in performance over…

Effect of initial conditions on combustion generated loads

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

Tieszen, S.R.

1991-01-01

This analytical study examines the effect of initial thermodynamic conditions on the loads generated by the combustion of homogeneous hydrogen-air-steam mixtures. The effect of initial temperature, pressure, hydrogen concentration, and steam concentration is evaluated for two cases, (1) constant volume and (2) constant initial pressure. For each case, the Adiabatic, Isochoric, Complete Combustion (AICC), Chapman-Jouguet (CJ), and normally reflected CJ pressures are calculated for a range of hydrogen and steam concentrations representative of the entire flammable regime. For detonation loads, pressure profiles and time-histories are also evaluated in one-dimensional Cartesian geometry. The results show that to a first approximation, themore » AICC and CJ pressures are directly proportional to the initial density. Increasing the hydrogen concentration up to stoichiometric concentrations significantly increases the AICC, CJ, and reflected CJ pressures. For the constant volume case, the AICC, CJ, and reflected CJ pressures increase with increasing hydrogen concentration on the rich side of stoichiometric concentrations. For the constant initial pressure case, the AICC, CJ and reflected CJ pressures decrease with increasing hydrogen concentration on the rich side of stoichiometric values. The addition of steam decreases the AICC, CJ and reflected CJ pressures for the constant initial pressure case, but increases them for the constant volume case. For detonations, the pressure time-histories can be normalized with the AICC pressure and the reverberation time for Cartesian geometry. 35 refs., 16 figs.« less

The Proell Effect: A Macroscopic Maxwell's Demon

NASA Astrophysics Data System (ADS)

Rauen, Kenneth M.

2011-12-01

Maxwell's Demon is a legitimate challenge to the Second Law of Thermodynamics when the "demon" is executed via the Proell effect. Thermal energy transfer according to the Kinetic Theory of Heat and Statistical Mechanics that takes place over distances greater than the mean free path of a gas circumvents the microscopic randomness that leads to macroscopic irreversibility. No information is required to sort the particles as no sorting occurs; the entire volume of gas undergoes the same transition. The Proell effect achieves quasi-spontaneous thermal separation without sorting by the perturbation of a heterogeneous constant volume system with displacement and regeneration. The classical analysis of the constant volume process, such as found in the Stirling Cycle, is incomplete and therefore incorrect. There are extra energy flows that classical thermo does not recognize. When a working fluid is displaced across a regenerator with a temperature gradient in a constant volume system, complimentary compression and expansion work takes place that transfers energy between the regenerator and the bulk gas volumes of the hot and cold sides of the constant volume system. Heat capacity at constant pressure applies instead of heat capacity at constant volume. The resultant increase in calculated, recyclable energy allows the Carnot Limit to be exceeded in certain cycles. Super-Carnot heat engines and heat pumps have been designed and a US patent has been awarded.

Template directed assembly of nanoelements in viscous polymer environments

NASA Astrophysics Data System (ADS)

Modi, Satyamkumar

Polymer melt-based manufacturing methods, such as injection molding, offer the potential of directly fabricating three-dimensional parts with nanostructured surfaces in a one-step, high-rate, and solventless process. Electrophoretic deposition has the potential to produce in-mold assembly of nanoparticles during injection molding. The process is fast, is cost effective and can be automated. This electrophoretic deposition, however, has been performed from low-viscosity media and polymer melts are far more viscous. This research provided a fundamental understanding of the electrophoretic deposition process in viscous media. Electrophoresis was performed using a model system of carbon black and polystyrene in tetrahydrofuran (THF). Examined were the effects of processing parameters, polystyrene molecular weight, and carbon black charge. The presence of polystyrene did not prevent deposition of carbon black, but deposition rates decreased at shorter deposition times; deposition was not linear with increasing applied voltage; and greater solution concentrations reduced the critical voltages. A comparison of experimental data with Hamaker's model showed that about 1.6% of the available polystyrene was initially deposited with the carbon black. At voltages above the critical voltage, the deposited mass indicated formation of electrically insulating layers on the electrodes. Increases in polystyrene molecular weight reduced the electrophoretic deposition of the carbon black particles due to increases in suspension viscosity and preferential adsorption of the longer polystyrene chains on the carbon black particles. At low deposition times (≤ 5 seconds), only carbon black deposited onto the electrodes. For longer deposition times, polystyrene co-deposited with the carbon black, with the amount of polystyrene increasing with molecular weight and decreasing with greater charge on the polystyrene molecules. The additional of function groups to the carbon black surface decoupled the carbon black and polystyrene, however, the deposition of the carbon black particles, followed by deposition of a thick layer of polystyrene was observed. This polystyrene deposition was present regardless of the applied voltage, the deposition time, the polystyrene molecular weight, polystyrene material (i.e., charge), and solvent polarity. This deposition behavior suggests that use of lower molecular polymers and unmodified carbon blacks, and control of electrical properties will permit electrophoretic deposition of nanoparticles from polymer melts.

Visualizing Oil Process Dynamics in Porous Media with Micromodels

NASA Astrophysics Data System (ADS)

Biswal, S. L.

2016-12-01

The use of foam in enhanced oil recovery (EOR) applications is being considered for gas mobility control to ensure pore-trapped oil can be effectively displaced. In fractured reservoirs, gas tends to channel only through the highly permeability regions, bypassing the less permeable porous matrix, where most of the residual oil remains. Because of the unique transport problems presented by the large permeability contrast between fractures and adjacent porous media, we aim to understand the mechanism by which foam transitions from the fracture to the matrix and how initially trapped oil can be displaced and ultimately recovered. My lab has generated micromodels, which are combined with high-speed imaging to visualize foam transport in models with permeability contrasts, fractures, and multiple phases. The wettability of these surfaces can be altered to mimic the heterogeneous wettability found in reservoir systems. We have shown how foam quality can be modulated by adjusting the ratio of gas flow ratio to aqueous flow rate in a flow focusing system and this foam quality influences sweep efficiency in heterogeneous porous media systems. I will discuss how this understanding has allowed us to design better foam EOR processes. I will also highlight our recent efforts in ashaltene deposition. Asphaltene deposition is a common cause of significant flow assurance problems in wellbores and production equipment as well as near-wellbore regions in oil reservoirs. I will present our results for visualizing real time asphaltene deposition from model and crude oils using microfluidic devices. In particular, we consider porous-media micromodel designs to represent various flow conditions typical of that found in oil flow processes. Also, four stages of deposition have been found and investigated in the pore scale and with qualitatively macroscopic total collector efficiency as well as Hamaker expressions for interacting asphaltenes with surfaces. By understanding the nature and the mechanisms of asphaltene deposits, we increase our ability to design cost effective mitigation strategies that includes the development of a new generation of asphaltene deposition inhibitors and improved methods for prevention and treatment of this problem.

Effect of Ala-Glu-Asp-Gly peptide on life span and development of spontaneous tumors in female rats exposed to different illumination regimes.

PubMed

Vinogradova, I A; Bukalev, A V; Zabezhinski, M A; Semenchenko, A V; Khavinson, V Kh; Anisimov, V N

2007-12-01

The effects of Ala-Glu-Asp-Gly peptide (Epithalon) on the life span and development of spontaneous tumors were studied in female rats exposed to standard, natural for North-Western Russia, and constant illumination. The mean life span of animals exposed to constant or natural illumination decreased by 13.5 and 25.5%, the maximum by 9 and 7 months, respectively, and spontaneous tumors developed much more rapidly than in animals living under conditions of the standard light regimen. Epithalon (0.1 microg daily 5 times a week from the age of 4 months) did not change the life span of rats living under conditions of standard day/night regimen, while in rats exposed to the natural and constant light it promoted prolongation of the maximum life span by 95 and 24 days, respectively. Epithalon prolonged the mean life span of the last 10% of rats exposed to natural and constant illumination, treated with Epithalon, by 137 and 43 days, respectively. This peptide exhibited virtually no effect on the development of spontaneous tumors in rats exposed to standard and constant illumination, but significantly inhibited their development in rats exposed to natural light.

Diffusional falsification of kinetic constants on Lineweaver-Burk plots.

PubMed

Ghim, Y S; Chang, H N

1983-11-07

The effect of mass transfer resistances on the Lineweaver-Burk plots in immobilized enzyme systems has been investigated numerically and with analytical approximate solutions. While Hamilton, Gardner & Colton (1974) studied the effect of internal diffusion resistances in planar geometry, our study was extended to the combined effect of internal and external diffusion in cylindrical and spherical geometries as well. The variation of Lineweaver-Burk plots with respect to the geometries was minimized by modifying the Thiele modulus and the Biot number with the shape factor. Especially for a small Biot number all the three Lineweaver-Burk plots fell on a single line. As was discussed by Hamilton et al. (1974), the curvature of the line for large external diffusion resistances was small enough to be assumed linear, which was confirmed from the two approximate solutions for large and small substrate concentrations. Two methods for obtaining intrinsic kinetic constants were proposed: First, we obtained both maximum reaction rate and Michaelis constant by fitting experimental data to a straight line where external diffusion resistance was relatively large, and second, we obtained Michaelis constant from apparent Michaelis constant from the figure in case we knew maximum reaction rate a priori.

Negative Dielectric Constant Material Based on Ion Conducting Materials

NASA Technical Reports Server (NTRS)

Gordon, Keith L. (Inventor); Kang, Jin Ho (Inventor); Park, Cheol (Inventor); Lillehei, Peter T. (Inventor); Harrison, Joycelyn S. (Inventor)

2017-01-01

Metamaterials or artificial negative index materials (NIMs) have generated great attention due to their unique and exotic electromagnetic properties. One exemplary negative dielectric constant material, which is an essential key for creating the NIMs, was developed by doping ions into a polymer, a protonated poly (benzimidazole) (PBI). The doped PBI showed a negative dielectric constant at megahertz (MHz) frequencies due to its reduced plasma frequency and an induction effect. The magnitude of the negative dielectric constant and the resonance frequency were tunable by doping concentration. The highly doped PBI showed larger absolute magnitude of negative dielectric constant at just above its resonance frequency than the less doped PBI.

Negative Dielectric Constant Material Based on Ion Conducting Materials

NASA Technical Reports Server (NTRS)

Gordon, Keith L. (Inventor); Kang, Jin Ho (Inventor); Harrison, Joycelyn S. (Inventor); Park, Cheol (Inventor); Lillehei, Peter T. (Inventor)

2014-01-01

Metamaterials or artificial negative index materials (NIMs) have generated great attention due to their unique and exotic electromagnetic properties. One exemplary negative dielectric constant material, which is an essential key for creating the NIMs, was developed by doping ions into a polymer, a protonated poly(benzimidazole) (PBI). The doped PBI showed a negative dielectric constant at megahertz (MHz) frequencies due to its reduced plasma frequency and an induction effect. The magnitude of the negative dielectric constant and the resonance frequency were tunable by doping concentration. The highly doped PBI showed larger absolute magnitude of negative dielectric constant at just above its resonance frequency than the less doped PBI.

An analytic model for accurate spring constant calibration of rectangular atomic force microscope cantilevers.

PubMed

Li, Rui; Ye, Hongfei; Zhang, Weisheng; Ma, Guojun; Su, Yewang

2015-10-29

Spring constant calibration of the atomic force microscope (AFM) cantilever is of fundamental importance for quantifying the force between the AFM cantilever tip and the sample. The calibration within the framework of thin plate theory undoubtedly has a higher accuracy and broader scope than that within the well-established beam theory. However, thin plate theory-based accurate analytic determination of the constant has been perceived as an extremely difficult issue. In this paper, we implement the thin plate theory-based analytic modeling for the static behavior of rectangular AFM cantilevers, which reveals that the three-dimensional effect and Poisson effect play important roles in accurate determination of the spring constants. A quantitative scaling law is found that the normalized spring constant depends only on the Poisson's ratio, normalized dimension and normalized load coordinate. Both the literature and our refined finite element model validate the present results. The developed model is expected to serve as the benchmark for accurate calibration of rectangular AFM cantilevers.

THE ONSET OF ELECTRICAL BREAKDOWN IN DUST LAYERS: II. EFFECTIVE DIELECTRIC CONSTANT AND LOCAL FIELD ENHANCEMENT

EPA Science Inventory

Part 1 of the work has shown that electrical breakdown in dust layers obeys Paschen's Law, but occurs at applied field values which appear too small to initiate the breakdown. In this paper the authors show how an effective dielectric constant characterizing the dust layer can be...

HYPOXIC EFFECT ON GROWTH OF PALEOMENETES VULGARIS LARVAE AND OTHER SPECIES: USING CONSTANT EXPOSURE DATA TO PREDICT CYCLIC EXPOSURE RESPONSE

EPA Science Inventory

First stage larval marsh grass shrimp, Palaemonetes vulgaris, were exposed to patterns of diurnal, semidiurnal, and constant hypoxia to evaluate effects on growth and to determine if there was a consistent relationship between exposures. A comparison of growth with cyclic exposur...

Measuring the fine structure constant with Bragg diffraction and Bloch oscillations

NASA Astrophysics Data System (ADS)

Parker, Richard; Yu, Chenghui; Zhong, Weicheng; Estey, Brian; Müller, Holger

2017-04-01

We have demonstrated a new scheme for atom interferometry based on large-momentum-transfer Bragg beam splitters and Bloch oscillations. In this new scheme, we have achieved a resolution of δÎ+/-/Î+/-=0.25ppb in the fine structure constant measurement, which gives over 10 million radians of phase difference between freely evolving matter waves. We have suppressed many systematic effects known in most atom interferometers with Raman beam splitters such as light shift, Zeeman effect shift as well as vibration. We have also simulated multi-atom Bragg diffraction to understand sub-ppb systematic effects, and implemented spatial filtering to further suppress systematic effects. We present our recent progress toward a measurement of the fine structure constant, which will provide a stringent test of the standard model of particle physics.

Methodology for extracting local constants from petroleum cracking flows

DOEpatents

Chang, Shen-Lin; Lottes, Steven A.; Zhou, Chenn Q.

2000-01-01

A methodology provides for the extraction of local chemical kinetic model constants for use in a reacting flow computational fluid dynamics (CFD) computer code with chemical kinetic computations to optimize the operating conditions or design of the system, including retrofit design improvements to existing systems. The coupled CFD and kinetic computer code are used in combination with data obtained from a matrix of experimental tests to extract the kinetic constants. Local fluid dynamic effects are implicitly included in the extracted local kinetic constants for each particular application system to which the methodology is applied. The extracted local kinetic model constants work well over a fairly broad range of operating conditions for specific and complex reaction sets in specific and complex reactor systems. While disclosed in terms of use in a Fluid Catalytic Cracking (FCC) riser, the inventive methodology has application in virtually any reaction set to extract constants for any particular application and reaction set formulation. The methodology includes the step of: (1) selecting the test data sets for various conditions; (2) establishing the general trend of the parametric effect on the measured product yields; (3) calculating product yields for the selected test conditions using coupled computational fluid dynamics and chemical kinetics; (4) adjusting the local kinetic constants to match calculated product yields with experimental data; and (5) validating the determined set of local kinetic constants by comparing the calculated results with experimental data from additional test runs at different operating conditions.

Nano Scale Mechanical Analysis of Biomaterials Using Atomic Force Microscopy

NASA Astrophysics Data System (ADS)

Dutta, Diganta

The atomic force microscope (AFM) is a probe-based microscope that uses nanoscale and structural imaging where high resolution is desired. AFM has also been used in mechanical, electrical, and thermal engineering applications. This unique technique provides vital local material properties like the modulus of elasticity, hardness, surface potential, Hamaker constant, and the surface charge density from force versus displacement curve. Therefore, AFM was used to measure both the diameter and mechanical properties of the collagen nanostraws in human costal cartilage. Human costal cartilage forms a bridge between the sternum and bony ribs. The chest wall of some humans is deformed due to defective costal cartilage. However, costal cartilage is less studied compared to load bearing cartilage. Results show that there is a difference between chemical fixation and non-chemical fixation treatments. Our findings imply that the patients' chest wall is mechanically weak and protein deposition is abnormal. This may impact the nanostraws' ability to facilitate fluid flow between the ribs and the sternum. At present, AFM is the only tool for imaging cells' ultra-structure at the nanometer scale because cells are not homogeneous. The first layer of the cell is called the cell membrane, and the layer under it is made of the cytoskeleton. Cancerous cells are different from normal cells in term of cell growth, mechanical properties, and ultra-structure. Here, force is measured with very high sensitivity and this is accomplished with highly sensitive probes such as a nano-probe. We performed experiments to determine ultra-structural differences that emerge when such cancerous cells are subject to treatments such as with drugs and electric pulses. Jurkat cells are cancerous cells. These cells were pulsed at different conditions. Pulsed and non-pulsed Jurkat cell ultra-structures were investigated at the nano meter scale using AFM. Jurkat cell mechanical properties were measured under different conditions. In addition, AFM was used to measure the charge density of cell surface in physiological conditions. We found that the treatments changed the cancer cells' ultra-structural and mechanical properties at the nanometer scale. Finally, we used AFM to characterize many non-biological materials with relevance to biomedical science. Various metals, polymers, and semi-conducting materials were characterized in air and multiple liquid media through AFM - techniques from which a plethora of industries can benefit. This applies especially to the fledging solar industry which has found much promise in nanoscopic insights. Independent of the material being examined, a reliable method to measure the surface force between a nano probe and a sample surface in a variety of ionic concentrations was also found in the process of procuring these measurements. The key findings were that the charge density increases with the increase of the medium's ionic concentration.

Fundamental Insight on Developing Low Dielectric Constant Polyimides

NASA Technical Reports Server (NTRS)

Simpson, J. O.; SaintClair, A. K.

1997-01-01

Thermally stable, durable, insulative polyimides are in great demand for the fabrication of microelectronic devices. In this investigation dielectric and optical properties have been studied for several series of aromatic polyimides. The effect of polarizability, fluorine content, and free volume on dielectric constant was examined. In general, minimizing polarizability, maximizing free volume and fluorination all lowered dielectric constants in the polyimides studied.

Fluorescence studies on binding of pyrene and its derivatives to humic acid

NASA Astrophysics Data System (ADS)

Nakashima, K.; Maki, M.; Ishikawa, F.; Yoshikawa, T.; Gong, Y.-K.; Miyajima, T.

2007-07-01

Binding of pyrene (PyH) and its derivatives to humic acid (HA) has been studied by fluorescence spectroscopy. The nature of the interaction between HA and pyrene derivatives are extensively investigated by employing three derivatives ranging from anionic to cationic compounds: 1-pyrenebutylic acid (PyA), 1-pyrenemethanol (PyM), and 1-pyrenebutyltrimethylammonium bromide (PyB). Binding constants between HA and PyX (X = H, A, M, B) are obtained by steady-state fluorescence quenching techniques, and it is found that PyB has a markedly large binding constant among the pyrene family. This is attributed to a strong electrostatic interaction between cationic PyB and anionic HA. The result suggests that an electrostatic interaction plays a dominant role in binding of pyrenes to humic acid. The importance of electrostatic interaction was also confirmed by a salt effect on the binding constant. Influence of collisional quenching on the binding constant, which causes overestimation of the binding constant, was examined by time-resolved fluorescence spectroscopy as well as temperature effect in steady-state fluorescence measurements. It is elucidated that collisional quenching does not much bring overestimation into the binding constants.

The impact of constant light on the estrous cycle of the rat.

PubMed

Campbell, C S; Schwartz, N B

1980-04-01

The initial effects of constant bright light on the events of the rat estrous cycle were monitored in order to examine the interdependence of the hormonal and behavioral rhythms which comprise the cycle. Females exposed to constant bright light for only one cycle either failed to ovulate or showed a delay in the hormonal and behavioral events of the cycle as well as in ovulation. Females exposed to constant light for two cycles 1) failed to ovulate, 2) showed an advancement, or 3) showed a delay in the hormonal events of the estrous cycle and ovulation. Vaginal cytology and the onset of locomotor activity did not maintain their normal temporal relationships with the other events of the estrous cycle in constant light. In spite of the absence of an external timing signal, the majority of hormonal rhythms maintained their normal phase relationships and showed little sign of internal desynchrony. Ovaries in many animals showed high rates of follicular atresia early in the cycle, suggesting that the effects of bright constant light are far more complex than can be attributed to a simple absence of an external timing signal.

Cosmological Constant: A Lesson from Bose-Einstein Condensates

NASA Astrophysics Data System (ADS)

Finazzi, Stefano; Liberati, Stefano; Sindoni, Lorenzo

2012-02-01

The cosmological constant is one of the most pressing problems in modern physics. We address this issue from an emergent gravity standpoint, by using an analogue gravity model. Indeed, the dynamics of the emergent metric in a Bose-Einstein condensate can be described by a Poisson-like equation with a vacuum source term reminiscent of a cosmological constant. The direct computation of this term shows that in emergent gravity scenarios this constant may be naturally much smaller than the naive ground-state energy of the emergent effective field theory. This suggests that a proper computation of the cosmological constant would require a detailed understanding about how Einstein equations emerge from the full microscopic quantum theory. In this light, the cosmological constant appears as a decisive test bench for any quantum or emergent gravity scenario.

Cosmological constant: a lesson from Bose-Einstein condensates.

PubMed

Finazzi, Stefano; Liberati, Stefano; Sindoni, Lorenzo

2012-02-17

The cosmological constant is one of the most pressing problems in modern physics. We address this issue from an emergent gravity standpoint, by using an analogue gravity model. Indeed, the dynamics of the emergent metric in a Bose-Einstein condensate can be described by a Poisson-like equation with a vacuum source term reminiscent of a cosmological constant. The direct computation of this term shows that in emergent gravity scenarios this constant may be naturally much smaller than the naive ground-state energy of the emergent effective field theory. This suggests that a proper computation of the cosmological constant would require a detailed understanding about how Einstein equations emerge from the full microscopic quantum theory. In this light, the cosmological constant appears as a decisive test bench for any quantum or emergent gravity scenario.

Jet-cooled laser-induced fluorescence spectroscopy of cyclohexoxy: rotational and fine structure of molecules in nearly degenerate electronic States.

PubMed

Liu, Jinjun; Miller, Terry A

2014-12-26

The rotational structure of the previously observed B̃(2)A' ← X̃(2)A″ and B̃(2)A' ← Ã(2)A' laser-induced fluorescence spectra of jet-cooled cyclohexoxy radical (c-C6H11O) [ Zu, L.; Liu, J.; Tarczay, G.; Dupré, P; Miller, T. A. Jet-cooled laser spectroscopy of the cyclohexoxy radical. J. Chem. Phys. 2004 , 120 , 10579 ] has been analyzed and simulated using a spectroscopic model that includes the coupling between the nearly degenerate X̃ and à states separated by ΔE. The rotational and fine structure of these two states is reproduced by a 2-fold model using one set of molecular constants including rotational constants, spin-rotation constants (ε's), the Coriolis constant (Aζt), the quenched spin-orbit constant (aζed), and the vibronic energy separation between the two states (ΔE0). The energy level structure of both states can also be reproduced using an isolated-state asymmetric top model with rotational constants and effective spin-rotation constants (ε's) and without involving Coriolis and spin-orbit constants. However, the spin-orbit interaction introduces transitions that have no intensity using the isolated-state model but appear in the observed spectra. The line intensities are well simulated using the 2-fold model with an out-of-plane (b-) transition dipole moment for the B̃ ← X̃ transitions and in-plane (a and c) transition dipole moment for the B̃ ← à transitions, requiring the symmetry for the X̃ (Ã) state to be A″ (A'), which is consistent with a previous determination and opposite to that of isopropoxy, the smallest secondary alkoxy radical. The experimentally determined Ã-X̃ separation and the energy level ordering of these two states with different (A' and A″) symmetries are consistent with quantum chemical calculations. The 2-fold model also enables the independent determination of the two contributions to the Ã-X̃ separation: the relativistic spin-orbit interaction (magnetic effect) and the nonrelativistic vibronic separation between the lowest vibrational energy levels of these two states due to both electrostatic interaction (Coulombic effect) and difference in zero-point energies (kinetic effect).

The Effect of Variability of Practice at Execution Redundancy Level in Skilled and Novice Basketball Players.

PubMed

Taheri, Hamidreza; Fazeli, Davoud; Poureghbali, Sogand

2017-04-01

We investigated the effect of practice variability through execution redundancy in skilled and novice basketball players on free throw skills. Twelve skilled basketball players and 12 novices (mean age = 25.4 years, SD = 4.3) were divided into four groups (skilled constant, skilled variable, novice constant, and novice variable). After a pretest, participants practiced free throw action. The variable groups threw the ball over an obstacle of varying heights on each trial in random order, whereas the obstacle's height was fixed for the constant groups. After 7 and 14 consecutive days of practice, participants performed two posttests with constant and variable distances from the basket. The results showed that practicing different solutions of a task did not affect the performance of skilled players but had an immediate negative effect on the performance of novice players. Learning a complex task is the result of learning task-related parameters, and practice variability can create a mismatch between task difficulty and new learner skill levels.

Revised estimates for ozone reduction by shuttle operation

NASA Technical Reports Server (NTRS)

Potter, A. E.

1978-01-01

Previous calculations by five different modeling groups of the effect of space shuttle operations on the ozone layer yielded an estimate of 0.2 percent ozone reduction for the Northern Hemisphere at 60 launches per year. Since these calculations were made, the accepted rate constant for the reaction between hydroperoxyl and nitric oxide to yield hydroxyl and nitrogen dioxide, HO2 + NO yields OH + NO2, was revised upward by more than an order of magnitude, with a resultant increase in the predicted ozone reduction for chlorofluoromethanes by a factor of approximately 2. New calculations of the shuttle effect were made with use of the new rate constant data, again by five different modeling groups. The new value of the shuttle effect on the ozone layer was found to be 0.25 percent. The increase resulting from the revised rate constant is considerably less for space shuttle operations than for chlorofluoromethane production, because the new rate constant also increases the calculated rate of downward transport of shuttle exhaust products out of the stratosphere.

Construction of exact constants of motion and effective models for many-body localized systems

NASA Astrophysics Data System (ADS)

Goihl, M.; Gluza, M.; Krumnow, C.; Eisert, J.

2018-04-01

One of the defining features of many-body localization is the presence of many quasilocal conserved quantities. These constants of motion constitute a cornerstone to an intuitive understanding of much of the phenomenology of many-body localized systems arising from effective Hamiltonians. They may be seen as local magnetization operators smeared out by a quasilocal unitary. However, accurately identifying such constants of motion remains a challenging problem. Current numerical constructions often capture the conserved operators only approximately, thus restricting a conclusive understanding of many-body localization. In this work, we use methods from the theory of quantum many-body systems out of equilibrium to establish an alternative approach for finding a complete set of exact constants of motion which are in addition guaranteed to represent Pauli-z operators. By this we are able to construct and investigate the proposed effective Hamiltonian using exact diagonalization. Hence, our work provides an important tool expected to further boost inquiries into the breakdown of transport due to quenched disorder.

Compensation Effect in the Electrical Conduction Process in Some Nucleic Acid Base Complexes with Proflavine Dye

NASA Astrophysics Data System (ADS)

Sarkar, D.; Misra, T. N.

1988-11-01

Compensation behaviour has been found in electrical conduction process in proflavine complexes with nucleic acid bases, guanine, adenine, uracil and thymine. At low dye concentrations these semiconducting complexes follow a three constant compensation equation σ(T){=}σ0'\\exp (E/2kT0)\\exp (-E/2kT), σ0' and T0 being constants for a specific base. The other notations have their usual meaning. Consistent values of these constants have been obtained by different experimental methods of evaluation. These results suggest that compensation effect has a physical origin.

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.

Nanoparticle interaction potentials constructed by multiscale computation

NASA Astrophysics Data System (ADS)

Lee, Cheng K.; Hua, Chi C.

2010-06-01

The van der Waals (vdW) potentials governing macroscopic objects have long been formulated in the context of classical theories, such as Hamaker's microscopic theory and Lifshitz's continuum theory. This work addresses the possibility of constructing the vdW interaction potentials of nanoparticle species using multiscale simulation schemes. Amorphous silica nanoparticles were considered as a benchmark example for which a series of (SiO2)n (n being an integer) has been systematically surveyed as the potential candidates of the packing units that reproduce known bulk material properties in atomistic molecular dynamics simulations. This strategy led to the identification of spherical Si6O12 molecules, later utilized as the elementary coarse-grained (CG) particles to compute the pair interaction potentials of silica nanoparticles ranging from 0.62 to 100 nm in diameter. The model nanoparticles so built may, in turn, serve as the children CG particles to construct nanoparticles assuming arbitrary sizes and shapes. Major observations are as follows. The pair interaction potentials for all the investigated spherical silica nanoparticles can be cast into a semiempirical, generalized Lennard-Jones 2α-α potential (α being a size-dependent, large integral number). In its reduced form, we discuss the implied universalities for the vdW potentials governing a certain range of amorphous nanoparticle species as well as how thermodynamic transferability can be fulfilled automatically. In view of future applications with colloidal suspensions, we briefly evaluated the vdW potential in the presence of a "screening" medium mimicking the effects of electrical double layers or grafting materials atop the nanoparticle core. The general observations shed new light on strategies to attain a microscopic control over interparticle attractions. In future perspectives, the proposed multiscale computation scheme shall help bridge the current gap between the modeling of polymer chains and macroscopic objects by introducing molecular models coarse-grained at a similar level so that the interactions between these two can be treated in a consistent and faithful way.

Simulating the effects of fluctuating dissolved oxygen on growth, reproduction, and survival of fish and shrimp.

PubMed

Miller Neilan, Rachael; Rose, Kenneth

2014-02-21

Individuals are commonly exposed to fluctuating levels of stressors, while most laboratory experiments focus on constant exposures. We develop and test a mathematical model for predicting the effects of low dissolved oxygen (hypoxia) on growth, reproduction, and survival using laboratory experiments on fish and shrimp. The exposure-effects model simulates the hourly reductions in growth and survival, and the reduction in reproduction (fecundity) at times of spawning, of an individual as it is exposed to constant or hourly fluctuating dissolved oxygen (DO) concentrations. The model was applied to seven experiments involving fish and shrimp that included constant and fluctuating DO exposures, with constant exposures used for parameter estimation and the model then used to simulate the growth, reproduction, and survival in the fluctuating treatments. Cumulative effects on growth, reproduction, and survival were predicted well by the model, but the model did not replay the observed episodic low survival days. Further investigation should involve the role of acclimation, possible inclusion of repair effects in reproduction and survival, and the sensitivity of model predictions to the shape of the immediate effects function. Additional testing of the model with other taxa, different patterns of fluctuating exposures, and different stressors is needed to determine the model's generality and robustness. © 2013 Elsevier Ltd. All rights reserved.

Review of Slow-Wave Structures

NASA Technical Reports Server (NTRS)

Wallett, Thomas M.; Qureshi, A. Haq

1994-01-01

The majority of recent theoretical and experimental reports published in the literature dealing with helical slow-wave structures focus on the dispersion characteristics and their effects due to the finite helix wire thickness and attenuation, dielectric loading, metal loading, and the introduction of plasma. In many papers, an effective dielectric constant is used to take into account helix wire dimensions and conductivity losses, while the propagation constant of the signal and the interaction impedance of the structure are found to depend on the surface resistivity of the helix. Also, various dielectric supporting rods are simulated by one or several uniform cylinders having an effective dielectric constant, while metal vane loading and plasma effects are incorporated in the effective dielectric constant. The papers dealing with coupled cavities and folded or loaded wave guides describe equivalent circuit models, efficiency enhancement, and the prediction of instabilities for these structures. Equivalent circuit models of various structures are found using computer software programs SUPERFISH and TOUCHSTONE. Efficiency enhancement in tubes is achieved through dynamic velocity and phase adjusted tapers using computer techniques. The stability threshold of unwanted antisymmetric and higher order modes is predicted using SOS and MAGIC codes and the dependence of higher order modes on beam conductance, section length, and effective Q of a cavity is shown.

Boson mapping techniques applied to constant gauge fields in QCD

NASA Technical Reports Server (NTRS)

Hess, Peter Otto; Lopez, J. C.

1995-01-01

Pairs of coordinates and derivatives of the constant gluon modes are mapped to new gluon-pair fields and their derivatives. Applying this mapping to the Hamiltonian of constant gluon fields results for large coupling constants into an effective Hamiltonian which separates into one describing a scalar field and another one for a field with spin two. The ground state is dominated by pairs of gluons coupled to color and spin zero with slight admixtures of color zero and spin two pairs. As color group we used SU(2).

Perturbation-iteration theory for analyzing microwave striplines

NASA Technical Reports Server (NTRS)

Kretch, B. E.

1985-01-01

A perturbation-iteration technique is presented for determining the propagation constant and characteristic impedance of an unshielded microstrip transmission line. The method converges to the correct solution with a few iterations at each frequency and is equivalent to a full wave analysis. The perturbation-iteration method gives a direct solution for the propagation constant without having to find the roots of a transcendental dispersion equation. The theory is presented in detail along with numerical results for the effective dielectric constant and characteristic impedance for a wide range of substrate dielectric constants, stripline dimensions, and frequencies.

Growth rate and trapping efficacy of nematode-trapping fungi under constant and fluctuating temperatures.

PubMed

Fernández, A S; Larsen, M; Wolstrup, J; Grønvold, J; Nansen, P; Bjørn, H

1999-08-01

The effect of temperature on radial growth and predatory activity of different isolates of nematode-trapping fungi was assessed. Four isolates of Duddingtonia flagrans and one isolate of Arthrobotrys oligospora were inoculated on petri dishes containing either cornmeal agar (CMA) or faecal agar and then incubated for 14 days under three different constant and fluctuating temperature regimes. The radial growth was similar on the two substrates at each temperature regime. All fungal isolates showed a higher growth rate at a constant 20 degrees C. At 10 degrees and 15 degrees C, all D. flagrans isolates showed very similar patterns of radial growth at both constant and fluctuating temperatures. At 20 degrees C, they grew significantly faster at constant than at fluctuating temperatures. A. oligospora grew significantly faster than all D. flagrans isolates except when incubated at a fluctuating 20 degrees C. Spores of each fungal isolate were added to faecal cultures containing eggs of Cooperia oncophora at a concentration of 6250 spores/g faeces. The cultures were incubated for 14 days at the same temperature regimes described above. Control faeces (without fungal material) were also cultured. More larvae were recovered from the fungus-treated cultures incubated at a constant 10 degrees or 15 degrees C than from those incubated at the respective fluctuating temperatures, except for one D. flagrans isolate. Incubation at 20 degrees C showed the opposite effect. The general reduction observed in the number of nematode larvae due to fungal trapping was 18-25% and 48-80% for a constant and fluctuating 10 degrees C, 70-96% and 93-95% for a constant and fluctuating 15 degrees C, and 63-98% and 0-25% for a constant and fluctuating 20 degrees C, respectively.

Compensation of Verdet Constant Temperature Dependence by Crystal Core Temperature Measurement

PubMed Central

Petricevic, Slobodan J.; Mihailovic, Pedja M.

2016-01-01

Compensation of the temperature dependence of the Verdet constant in a polarimetric extrinsic Faraday sensor is of major importance for applying the magneto-optical effect to AC current measurements and magnetic field sensing. This paper presents a method for compensating the temperature effect on the Faraday rotation in a Bi12GeO20 crystal by sensing its optical activity effect on the polarization of a light beam. The method measures the temperature of the same volume of crystal that effects the beam polarization in a magnetic field or current sensing process. This eliminates the effect of temperature difference found in other indirect temperature compensation methods, thus allowing more accurate temperature compensation for the temperature dependence of the Verdet constant. The method does not require additional changes to an existing Δ/Σ configuration and is thus applicable for improving the performance of existing sensing devices. PMID:27706043

Direct ab initio dynamics study of the reaction of C 2(A 3Π u) radical with C 2H 6

NASA Astrophysics Data System (ADS)

Li, Na; Huo, Rui-Ping; Zhang, Xiang; Huang, Xu-Ri; Li, Ji-Lai; Sun, Chia-Chung

2011-02-01

The reaction of C 2 (A 3Π u) with C 2H 6 has been investigated at the BMC-CCSD//BB1K/6-311+G(2d, 2p) level. The classical barrier height for H-abstraction reaction is calculated to be 3.32 kcal/mol and the electron transfer behavior is also analyzed in detail. The rate constants are calculated by TST, CVT, and CVT/SCT over a wide temperature range 50-3000 K. The results indicate: (1) variational effect is small and nonclassical reflection effect is important to the H abstraction in high temperature region; and (2) variational effect is negligible and tunneling effect cooperating with the nonclassical reflection effect makes the rate constant temperature independence in low-temperature range. The CVT/SCT rate constants are in excellent agreement with experimental values.

(In)validity of the constant field and constant currents assumptions in theories of ion transport.

PubMed Central

Syganow, A; von Kitzing, E

1999-01-01

Constant electric fields and constant ion currents are often considered in theories of ion transport. Therefore, it is important to understand the validity of these helpful concepts. The constant field assumption requires that the charge density of permeant ions and flexible polar groups is virtually voltage independent. We present analytic relations that indicate the conditions under which the constant field approximation applies. Barrier models are frequently fitted to experimental current-voltage curves to describe ion transport. These models are based on three fundamental characteristics: a constant electric field, negligible concerted motions of ions inside the channel (an ion can enter only an empty site), and concentration-independent energy profiles. An analysis of those fundamental assumptions of barrier models shows that those approximations require large barriers because the electrostatic interaction is strong and has a long range. In the constant currents assumption, the current of each permeating ion species is considered to be constant throughout the channel; thus ion pairing is explicitly ignored. In inhomogeneous steady-state systems, the association rate constant determines the strength of ion pairing. Among permeable ions, however, the ion association rate constants are not small, according to modern diffusion-limited reaction rate theories. A mathematical formulation of a constant currents condition indicates that ion pairing very likely has an effect but does not dominate ion transport. PMID:9929480

Effects of Vocabulary Instruction Using Constant Time Delay on Expository Reading of Young Adults with Intellectual Disability

ERIC Educational Resources Information Center

Hua, Youjia; Woods-Groves, Suzanne; Kaldenberg, Erica R.; Scheidecker, Bethany J.

2013-01-01

We investigated the effectiveness of using constant time delay (CTD) with young adults with intellectual disability on their vocabulary acquisition and retention, as well as expository reading comprehension. Four learners, ages 19 to 21 years, from a postsecondary education program for individuals with disabilities participated in the study.…

Comparative effects of constant versus fluctuating thermal regimens on yellow perch growth, feed conversion and survival

USDA-ARS?s Scientific Manuscript database

The effects of fluctuating or constant thermal regimens on growth, mortality, and feed conversion were determined for juvenile yellow perch (Perca flavescens). Yellow perch averaging 156mm total length and 43g body weight were held in replicate 288L circular tanks for 129 days under: 1) a diel therm...

The effects of increased constant incubation temperature and cumulative acute heat shock exposures on morphology and survival of Lake Whitefish (Coregonus clupeaformis) embryos.

PubMed

Lee, Abigail H; Eme, John; Mueller, Casey A; Manzon, Richard G; Somers, Christopher M; Boreham, Douglas R; Wilson, Joanna Y

2016-04-01

Increasing incubation temperatures, caused by global climate change or thermal effluent from industrial processes, may influence embryonic development of fish. This study investigates the cumulative effects of increased incubation temperature and repeated heat shocks on developing Lake Whitefish (Coregonus clupeaformis) embryos. We studied the effects of three constant incubation temperatures (2°C, 5°C or 8°C water) and weekly, 1-h heat shocks (+3°C) on hatching time, survival and morphology of embryos, as these endpoints may be particularly susceptible to temperature changes. The constant temperatures represent the predicted magnitude of elevated water temperatures from climate change and industrial thermal plumes. Time to the pre-hatch stage decreased as constant incubation temperature increased (148d at 2°C, 92d at 5°C, 50d at 8°C), but weekly heat shocks did not affect time to hatch. Mean survival rates and embryo morphometrics were compared at specific developmental time-points (blastopore, eyed, fin flutter and pre-hatch) across all treatments. Constant incubation temperatures or +3°C heat-shock exposures did not significantly alter cumulative survival percentage (~50% cumulative survival to pre-hatch stage). Constant warm incubation temperatures did result in differences in morphology in pre-hatch stage embryos. 8°C and 5°C embryos were significantly smaller and had larger yolks than 2°C embryos, but heat-shocked embryos did not differ from their respective constant temperature treatment groups. Elevated incubation temperatures may adversely alter Lake Whitefish embryo size at hatch, but weekly 1-h heat shocks did not affect size or survival at hatch. These results suggest that intermittent bouts of warm water effluent (e.g., variable industrial emissions) are less likely to negatively affect Lake Whitefish embryonic development than warmer constant incubation temperatures that may occur due to climate change. Copyright © 2016 Elsevier Ltd. All rights reserved.

Determination of magneto-optical constant of Fe films with weak measurements

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

Qiu, Xiaodong; Hu, Dejiao; Du, Jinglei

2014-09-29

In this letter, a detecting method for the magneto-optical constant is presented by using weak measurements. The photonic spin Hall effect (PSHE), which manifests itself as spin-dependent splitting, is introduced to characterize the magneto-optical constant, and a propagation model to describe the quantitative relation between the magneto-optical constant and the PSHE is established. According to the amplified shift of the PSHE detected by weak measurements, we determinate the magneto-optical constant of the Fe film sample. The Kerr rotation is measured via the standard polarimetry method to verify the rationality and feasibility of our method. These findings may provide possible applicationsmore » in magnetic physics research.« less

Spring constant measurement using a MEMS force and displacement sensor utilizing paralleled piezoresistive cantilevers

NASA Astrophysics Data System (ADS)

Kohyama, Sumihiro; Takahashi, Hidetoshi; Yoshida, Satoru; Onoe, Hiroaki; Hirayama-Shoji, Kayoko; Tsukagoshi, Takuya; Takahata, Tomoyuki; Shimoyama, Isao

2018-04-01

This paper reports on a method to measure a spring constant on site using a micro electro mechanical systems (MEMS) force and displacement sensor. The proposed sensor consists of a force-sensing cantilever and a displacement-sensing cantilever. Each cantilever is composed of two beams with a piezoresistor on the sidewall for measuring the in-plane lateral directional force and displacement. The force resolution and displacement resolution of the fabricated sensor were less than 0.8 µN and 0.1 µm, respectively. We measured the spring constants of two types of hydrogel microparticles to demonstrate the effectiveness of the proposed sensor, with values of approximately 4.3 N m-1 and 15.1 N m-1 obtained. The results indicated that the proposed sensor is effective for on-site spring constant measurement.

An engineering method for estimating notch-size effect in fatigue tests on steel

NASA Technical Reports Server (NTRS)

Kuhn, Paul; Hardrath, Herbert F

1952-01-01

Neuber's proposed method of calculating a practical factor of stress concentration for parts containing notches of arbitrary size depends on the knowledge of a "new material constant" which can be established only indirectly. In this paper, the new constant has been evaluated for a large variety of steels from fatigue tests reported in the literature, attention being confined to stresses near the endurance limit. Reasonably satisfactory results were obtained with the assumption that the constant depends only on the tensile strength of the steel. Even in cases where the notches were cracks of which only the depth was known, reasonably satisfactory agreement was found between calculated and experimental factors. It is also shown that the material constant can be used in an empirical formula to estimate the size effect on unnotched specimens tested in bending fatigue.

Comparing Teacher-Directed and Computer-Assisted Constant Time Delay for Teaching Functional Sight Words to Students with Moderate Intellectual Disability

ERIC Educational Resources Information Center

Coleman, Mari Beth; Hurley, Kevin J.; Cihak, David F.

2012-01-01

The purpose of this study was to compare the effectiveness and efficiency of teacher-directed and computer-assisted constant time delay strategies for teaching three students with moderate intellectual disability to read functional sight words. Target words were those found in recipes and were taught via teacher-delivered constant time delay or…

Effect of Cold Temperature on the Dielectric Constant of Soil

DTIC Science & Technology

2012-04-01

explosive device (IED) threats is ground-penetrating radar ( GPR ). Proper development of GPR technology for this application requires a unique...success or failure of GPR as a detection technique. One soil property of interest to radar engineers is the dielectric constant. Previous...results to temperatures, moisture levels, and frequencies relevant to GPR systems. 2. Dielectric Constant and the Ring-resonator Concept The two

A New Dimension to Relative Age Effects: Constant Year Effects in German Youth Handball

PubMed Central

Schorer, Jörg; Wattie, Nick; Baker, Joseph R.

2013-01-01

In this manuscript we argue for a broader use of the term ‘relative age effect’ due to the influence of varying development policies on the development of sport expertise. Two studies are presented on basis of data from Schorer, et al. [1]. The first showed clear ‘constant year effects’ in the German handball talent development system. A shift in year groupings for the female athletes resulted in a clear shift of birth year patterns. In the second study we investigated whether the constant year effect in the national talent development system carried over to professional handball. No patterns were observable. Together both studies show that a differentiation of varying effects that often happen simultaneously is necessary to understand the secondary mechanisms behind the development of sport expertise. PMID:23637745

Measuring h /mCs and the Fine Structure Constant with Bragg Diffraction and Bloch Oscillations

NASA Astrophysics Data System (ADS)

Parker, Richard

2016-05-01

We have demonstrated a new scheme for atom interferometry based on large-momentum-transfer Bragg beam splitters and Bloch oscillations. In this new scheme, we have achieved a resolution of δα / α =0.25ppb in the fine structure constant measurement, which gives up to 4.4 million radians of phase difference between freely evolving matter waves. We suppress many systematic effects, e.g., Zeeman shifts and effects from Earth's gravity and vibrations, use Bloch oscillations to increase the signal and reduce the diffraction phase, simulate multi-atom Bragg diffraction to understand sub-ppb systematic effects, and implement spatial filtering to further suppress systematic effects. We present our recent progress toward a measurement of the fine structure constant, which will provide a stringent test of the standard model of particle physics.

Re-evaluation of constant versus varied punishers using empirically derived consequences.

PubMed

Toole, Lisa M; DeLeon, Iser G; Kahng, SungWoo; Ruffin, Geri E; Pletcher, Carrie A; Bowman, Lynn G

2004-01-01

Charlop, Burgio, Iwata, and Ivancic [J. Appl. Behav. Anal. 21 (1988) 89] demonstrated that varied punishment procedures produced greater or more consistent reductions of problem behavior than a constant punishment procedure. More recently, Fisher and colleagues [Res. Dev. Disabil. 15 (1994) 133; J. Appl. Behav. Anal. 27 (1994) 447] developed a systematic methodology for predicting the efficacy of various punishment procedures. Their procedure identified reinforcers and punishers (termed "empirically derived consequences" or EDC) that, when used in combination, reduced the destructive behavior of individuals with developmental disabilities who displayed automatically maintained destructive behavior. The current investigation combines these two lines of research by comparing the effects of constant versus varied punishers on the self-injury of two individuals with developmental disabilities. The punishing stimuli were selected via the procedures described by Fisher et al. and were predicted to be at varying levels of effectiveness. The varied presentation of punishers resulted in enhanced suppressive effects over the constant presentation of a punisher for one of two individuals, but only in comparison to a single stimulus predicted to be minimally effective. Even then, the differences were small. These results suggest that the additive effects of varied punishment are negligible if clinicians use stimuli predicted to be effective and are discussed in terms of the conditions under which stimulus variation could potentially enhance the effects of punishers.

A novel scaling approach for sooting laminar coflow flames at elevated pressures

NASA Astrophysics Data System (ADS)

Abdelgadir, Ahmed; Steinmetz, Scott A.; Attili, Antonio; Bisetti, Fabrizio; Roberts, William L.

2016-11-01

Laminar coflow diffusion flames are often used to study soot formation at elevated pressures due to their well-characterized configuration. In these expriments, these flames are operated at constant mass flow rate (constant Reynolds number) at increasing pressures. Due to the effect of gravity, the flame shape changes and as a results, the mixing field changes, which in return has a great effect on soot formation. In this study, a novel scaling approach of the flame at different pressures is proposed. In this approach, both the Reynolds and Grashof's numbers are kept constant so that the effect of gravity is the same at all pressures. In order to keep the Grashof number constant, the diameter of the nozzle is modified as pressure varies. We report both numerical and experimental data proving that this approach guarantees the same nondimensional flow fields over a broad range of pressures. In the range of conditions studied, the Damkoehler number, which varies when both Reynolds and Grashof numbers are kept constant, is shown to play a minor role. Hence, a set of suitable flames for investigating soot formation at pressure is identified. This research made use of the resources of IT Research Computing at King Abdullah University of Science & Technology (KAUST), Saudi Arabia.

Investigation of the hydrochlorination of SiCl4

NASA Technical Reports Server (NTRS)

Mui, J. Y. P.

1983-01-01

A basic, experimental study on the hydrochlorination of silicon tetrachloride and metallurgical grade silicon with hydrogen gas to form trichlorosilane was carried out to greatly expand the range of reaction conditions. The equilibrium constant, K sub p, for the hydrochlorination reaction was measured as a function of temperature, pressure and concentration. The variation of the equilibrium constant as a function of temperature provided the measurement on the heat of reaction, delta H, by the Second Law Method. The value of delta H was measured to give 10.6 Kcal/mole. The equilibrium constant was also studied as a function of concentration. In agreement with the theory, the equilibrium constant remained constant with respect to the varying H2/SiCl4 feed ratios. On the other hand, the effect of pressure on the equilibrium constant was found to be more complex.

The influence of polarizability and charge transfer on specific ion effects in the dynamics of aqueous salt solutions

NASA Astrophysics Data System (ADS)

Nguyen, Mary; Rick, Steven W.

2018-06-01

The diffusion rates for water molecules in salt solutions depend on the identity of the ions, as well as their concentration. Among the alkali metal ions, cesium and potassium increase and sodium strongly decreases the diffusion constant of water. The origin of the difference can be understood by examining the simulation results using different potential models. In this work, aqueous solutions of salts are simulated with a variety of models. Commonly used non-polarizable models, which otherwise reproduce many experimental properties, do not capture the trend in the diffusion constant, while models which include polarization and/or charge transfer interactions do. For the non-polarizable models, the diffusion constant decreases too strongly with salt concentration. The changes in the water diffusion constant with increasing salt concentration match the diffusion constant of the ion. The ion diffusion constant is dependent on the residence time for water in the ion solvation shell. The non-polarizable models over-estimate the residence time, relative to the translational diffusion constant and so tend to under-estimate the ion and water diffusion constants.

A modulation technique for the measurement of the DC longitudinal Faraday effect

NASA Astrophysics Data System (ADS)

Hunte, Carlos

2018-03-01

A modulation of light technique, using a lock-in amplifier, is described and tested to investigate the longitudinal Faraday effect in isotropic media. The Faraday rotation is measured directly from the lock-in amplifier. The Verdet constant and dispersion of lead-silica SF-59 Schott glass, at room temperature of 25 °C, were determined for varying wavelengths and expressions for their wavelength dependence were determined. The Verdet constant of water is also investigated. The results compare extremely well with other studies. The technique is suited to measure very small Verdet constants and can be easily conducted in an upper-level undergraduate laboratory.

A Brane Model, Its Ads-DS States and Their Agitated Extra Dimensions

NASA Astrophysics Data System (ADS)

Günther, Uwe; Vargas Moniz, Paulo; Zhuk, Alexander

2006-02-01

We consider multidimensional gravitational models with a nonlinear scalar curvature term and form fields. It is assumed that the higher dimensional spacetime undergoes a spontaneous compactification to a warped product manifold. Particular attention is paid to models with quadratic scalar curvature terms and a Freund-Rubin-like ansatz for solitonic form fields. It is shown that for certain parameter ranges the extra dimensions are stabilized for any sign of the internal space curvature, the bulk cosmological constant and of the effective four-dimensional cosmological constant. Moreover, the effective cosmological constant can satisfy the observable limit on the dark energy density.

The Effects of Constant versus Varied Reinforcers on Preference and Resistance to Change

ERIC Educational Resources Information Center

Milo, Jessie-Sue; Mace, F. Charles; Nevin, John A.

2010-01-01

Previous research has demonstrated that factors such as reinforcer frequency, amount, and delay have similar effects on resistance to change and preference. In the present study, 4 boys with autism made choices between a constant reinforcer (one that was the same food item every trial) and a varied food reinforcer (one that varied randomly between…

The Effectiveness of a Constant Time Delay Procedure on Teaching Lifetime Sport Skills to Adolescents with Severe to Profound Intellectual Disabilities.

ERIC Educational Resources Information Center

Zhang, Jiabei; And Others

1995-01-01

A constant time delay (CTD) procedure was used to teach four adolescents with severe/profound intellectual disabilities to perform bowling, throwing, and putting. Results indicated that the adolescents could be effectively taught gross motor lifetime sport skills with the CTD procedure and that verbal description plus physical assistance could be…

Synergic effects of 10°/s constant rotation and rotating background on visual cognitive processing

NASA Astrophysics Data System (ADS)

He, Siyang; Cao, Yi; Zhao, Qi; Tan, Cheng; Niu, Dongbin

In previous studies we have found that constant low-speed rotation facilitated the auditory cognitive process and constant velocity rotation background sped up the perception, recognition and assessment process of visual stimuli. In the condition of constant low-speed rotation body is exposed into a new physical state. In this study the variations of human brain's cognitive process under the complex condition of constant low-speed rotation and visual rotation backgrounds with different speed were explored. 14 university students participated in the ex-periment. EEG signals were recorded when they were performing three different cognitive tasks with increasing mental load, that is no response task, selective switch responses task and selec-tive mental arithmetic task. Rotary chair was used to create constant low-speed10/srotation. Four kinds of background were used in this experiment, they were normal black background and constant 30o /s, 45o /s or 60o /s rotating simulated star background. The P1 and N1 compo-nents of brain event-related potentials (ERP) were analyzed to detect the early visual cognitive processing changes. It was found that compared with task performed under other backgrounds, the posterior P1 and N1 latencies were shortened under 45o /s rotating background in all kinds of cognitive tasks. In the no response task, compared with task performed under black back-ground, the posterior N1 latencies were delayed under 30o /s rotating background. In the selec-tive switch responses task and selective mental arithmetic task, compared with task performed under other background, the P1 latencies were lengthened under 60o /s rotating background, but the average amplitudes of the posterior P1 and N1 were increased. It was suggested that under constant 10/s rotation, the facilitated effect of rotating visual background were changed to an inhibited one in 30o /s rotating background. Under vestibular new environment, not all of the rotating backgrounds accelerated the early process of visual cognition. There is a synergic effect between the effects of constant low-speed rotation and rotating speed of the background. Under certain conditions, they both served to facilitate the visual cognitive processing, and it had been started at the stage when extrastriate cortex perceiving the visual signal. Under the condition of constant low-speed rotation in higher cognitive load tasks, the rapid rotation of the background enhanced the magnitude of the signal transmission in the visual path, making signal to noise ratio increased and a higher signal to noise ratio is clearly in favor of target perception and recognition. This gave rise to the hypothesis that higher cognitive load tasks with higher top-down control had more power in counteracting the inhibition effect of higher velocity rotation background. Acknowledgements: This project was supported by National Natural Science Foundation of China (No. 30670715) and National High Technology Research and Development Program of China (No.2007AA04Z254).

Effects of gas sorption-induced swelling/shrinkage on the cleat compressibility of coal under different bedding directions.

PubMed

Peng, Shoujian; Fang, Zhiming; Shen, Jian; Xu, Jiang; Wang, Geoff

2017-10-30

The cleat compressibility of coal is a key parameter that is extensively used in modeling the coal reservoir permeability for Coal Bed Methane (CBM) recovery. Cleat compressibility is often determined from the permeability measurement made at different confining pressures but with a constant pore pressure. Hence, this parameter ignores the sorption strain effects on the cleat compressibility. By using the transient pulse decay (TPD) technique, this study presents the results from a laboratory characterization program using coal core drilled from different bedding directions to estimate gas permeability and coal cleat compressibility under different pore pressures while maintaining effective stress constant. Cleat compressibility was determined from permeability and sorption strain measurements that are made at different pore pressures under an effective stress constant. Results show that the cleat compressibility of coal increases slightly with the increase of pore pressure. Moreover, the cleat compressibility of Sample P (representing the face cleats in coal) is larger than that of Sample C (representing the butt cleats in coal). This result suggests that cleat compressibility should not be regarded as constant in the modeling of the CBM recovery. Furthermore, the compressibility of face cleats is considerably sensitive to the sorption-induced swelling/shrinkage and offers significant effects on the coal permeability.

Effective optical constants of anisotropic materials

NASA Technical Reports Server (NTRS)

Aronson, J. R.; Emslie, A. G.

1980-01-01

The applicability of a technique for determining the optical constants of soil or aerosol components on the basis of measurements of the reflectance or transmittance of inhomogeneous samples of component material is investigated. Optical constants for a sample of very pure quartzite were obtained by a specular reflection technique and line parameters were calculated by classical dispersion theory. Predictions of the reflectance of powdered quartz were then derived from optical constants measured for the anisotropic quartz and for pure quartz crystals, and compared with experimental measurements. The calculated spectra are found to resemble each other moderately well in shape, however the reflectance level calculated from the psuedo-optical constants (quartzite) is consistently below that calculated from quartz values. The spectrum calculated from the quartz optical constants is also shown to represent the experimental nonrestrahlen features more accurately. It is thus concluded that although optical constants derived from inhomogeneous materials may represent the spectral features of a powdered sample qualitatively a quantitative fit to observed data is not likely.

Enhancement of piezoelectric constants induced by cation-substitution and two-dimensional strain effects on ZnO predicted by density functional perturbation theory

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

Nakamura, Kaoru, E-mail: n-kaoru@criepi.denken.or.jp; Higuchi, Sadao; Ohnuma, Toshiharu

2016-03-21

Using density functional perturbation theory, we investigated the effect of various substitutional dopant elements and in-plane strain on the piezoelectric properties of ZnO. The piezoelectric stress constant e{sub 33} of doped ZnO was found to depend on the formal charge of the substitutional dopant. By decomposing the piezoelectric stress constant e{sub 33} into the individual atomic contributions, the change in the piezoelectric properties was found to originate from a change in the coupling between the atomic displacement and the strain. Furthermore, we found that in-plane tensile strain along the a axis, which is specific to the thin film, can enhancemore » the piezoelectric constant of ZnO. A phase transition from wurtzite to h-BN-type structure was found to occur with increasing in-plane tensile. The piezoelectric strain constant d{sub 33} was predicted to reach ∼200 pC/N for 2.78 at. % V-substituted ZnO at 5.5% in-plane strain, just before the phase transition. These theoretical results suggest that the piezoelectric constant of ZnO can be enhanced by controlling the in-plane strain via selection of the substrate material and dopant element.« less

Very high pressure liquid chromatography using core-shell particles: quantitative analysis of fast gradient separations without post-run times.

PubMed

Stankovich, Joseph J; Gritti, Fabrice; Stevenson, Paul G; Beaver, Lois A; Guiochon, Georges

2014-01-17

Five methods for controlling the mobile phase flow rate for gradient elution analyses using very high pressure liquid chromatography (VHPLC) were tested to determine thermal stability of the column during rapid gradient separations. To obtain rapid separations, instruments are operated at high flow rates and high inlet pressure leading to uneven thermal effects across columns and additional time needed to restore thermal equilibrium between successive analyses. The purpose of this study is to investigate means to minimize thermal instability and obtain reliable results by measuring the reproducibility of the results of six replicate gradient separations of a nine component RPLC standard mixture under various experimental conditions with no post-run times. Gradient separations under different conditions were performed: constant flow rates, two sets of constant pressure operation, programmed flow constant pressure operation, and conditions which theoretically should yield a constant net heat loss at the column's wall. The results show that using constant flow rates, programmed flow constant pressures, and constant heat loss at the column's wall all provide reproducible separations. However, performing separations using a high constant pressure with programmed flow reduces the analysis time by 16% compared to constant flow rate methods. For the constant flow rate, programmed flow constant pressure, and constant wall heat experiments no equilibration time (post-run time) was required to obtain highly reproducible data. Copyright © 2013 Elsevier B.V. All rights reserved.

Effect of Detonation through a Turbine Stage

NASA Technical Reports Server (NTRS)

Ellis, Matthew T.

2004-01-01

Pulse detonation engines (PDE) have been investigated as a more efficient means of propulsion due to its constant volume combustion rather than the more often used constant pressure combustion of other propulsion systems. It has been proposed that a hybrid PDE-gas turbine engine would be a feasible means of improving the efficiency of the typical constant pressure combustion gas turbine cycle. In this proposed system, multiple pulse detonation tubes would replace the conventional combustor. Also, some of the compressor stages may be removed due to the pressure rise gained across the detonation wave. The benefits of higher thermal efficiency and reduced compressor size may come at a cost. The first question that arises is the unsteadiness in the flow created by the pulse detonation tubes. A constant pressure combustor has the advantage of supplying a steady and large mass flow rate. The use of the pulse detonation tubes will create an unsteady mass flow which will have currently unknown effects on the turbine located downstream of the combustor. Using multiple pulse detonation tubes will hopefully improve the unsteadiness. The interaction between the turbine and the shock waves exiting the tubes will also have an unknown effect. Noise levels are also a concern with this hybrid system. These unknown effects are being investigated using TURBO, an unsteady turbomachinery flow simulation code developed at Mississippi State University. A baseline case corresponding to a system using a constant pressure combustor with the same mass flow rate achieved with the pulse detonation hybrid system will be investigated first.

Filtrates & Residues: An Experiment on the Molar Solubility and Solubility Product of Barium Nitrate.

ERIC Educational Resources Information Center

Wruck, Betty; Reinstein, Jesse

1989-01-01

Provides a two hour experiment using direct gravimetric methods to determine solubility constants. Provides methodology and sample results. Discusses the effect of the common ion on the solubility constant. (MVL)

Ligands of low electronegativity in the vsepr model: molecular pseudohalides

NASA Astrophysics Data System (ADS)

Glidewell, Christopher; Holden, H. Diane

Equilibrium structures and force constants at linearity, for the skeletal bending mode δ(RNX) have been calculated in the MNDO approximation for 67 isocyanates, isothio-cyanates and azides, RNXY (XY = CO, CS or N 2) and the corresponding structures and force constants, δ(RCN), for 12 fulminates RCNO. Fulminates all have linear skeletons, but for RNXY the molecular skeleton is linear at atom X only if it is linear at N also ; otherwise the skeleton RNXY has a trans planar structure. Bending force constants are large and negative for all azides studied, negative for methyl and substituted methyl isocyanates and isothiocyanates and very small and positive for silyl and substituted silyl isothiocyanates: for silyl and substituted silyl isocyanales, the force constant is small and positive when the R group has effective C2v symmetry, but small and negative when the R group has only effective Cs symmetry.

Nonlinear multidimensional cosmological models with form fields: Stabilization of extra dimensions and the cosmological constant problem

NASA Astrophysics Data System (ADS)

Günther, U.; Moniz, P.; Zhuk, A.

2003-08-01

We consider multidimensional gravitational models with a nonlinear scalar curvature term and form fields in the action functional. In our scenario it is assumed that the higher dimensional spacetime undergoes a spontaneous compactification to a warped product manifold. Particular attention is paid to models with quadratic scalar curvature terms and a Freund-Rubin-like ansatz for solitonic form fields. It is shown that for certain parameter ranges the extra dimensions are stabilized. In particular, stabilization is possible for any sign of the internal space curvature, the bulk cosmological constant, and of the effective four-dimensional cosmological constant. Moreover, the effective cosmological constant can satisfy the observable limit on the dark energy density. Finally, we discuss the restrictions on the parameters of the considered nonlinear models and how they follow from the connection between the D-dimensional and the four-dimensional fundamental mass scales.

Improvement of the conductive network of positive electrodes and the performance of Ni-MH battery

NASA Astrophysics Data System (ADS)

Morimoto, Katsuya; Nakayama, Kousuke; Maki, Hideshi; Inoue, Hiroshi; Mizuhata, Minoru

2017-06-01

The pretreatment to modify the valence of cobalt by discharging at 0.2 C rate for 7.5 h before the first initial activation charge process is effective in improving the surface electronic conductivity among fine particles of positive electrode active materials. The discharge curves indicate the same locus within 1800 cycles, and the capacity of the pretreated battery is stable for over 4000 cycles. However, in-situ cell pretreatment with constant current has negative influence on other components. During the constant current pretreatment, the cell voltage rapidly falls to -0.5 V in the first 10 s of in-situ pretreatment. Therefore, we investigate the pretreatment by supplying a constant voltage to the battery instead of a constant current, and find the effective condition to improve the electrochemical performance and not to have any influence on other components of the battery.

Theory of space-charge polarization for determining ionic constants of electrolytic solutions

NASA Astrophysics Data System (ADS)

Sawada, Atsushi

2007-06-01

A theoretical expression of the complex dielectric constant attributed to space-charge polarization has been derived under an electric field calculated using Poisson's equation considering the effects of bound charges on ions. The frequency dependence of the complex dielectric constant of chlorobenzene solutions doped with tetrabutylammonium tetraphenylborate (TBATPB) has been analyzed using the theoretical expression, and the impact of the bound charges on the complex dielectric constant has been clarified quantitatively in comparison with a theory that does not consider the effect of the bound charges. The Stokes radius of TBA +(=TPB-) determined by the present theory shows a good agreement with that determined by conductometry in the past; hence, the present theory should be applicable to the direct determination of the mobility of ion species in an electrolytic solution without the need to measure ionic limiting equivalent conductance and transport number.

The effects of varied versus constant high-, medium-, and low-preference stimuli on performance.

PubMed

Wine, Byron; Wilder, David A

2009-01-01

The purpose of the current study was to compare the delivery of varied versus constant high-, medium-, and low-preference stimuli on performance of 2 adults on a computer-based task in an analogue employment setting. For both participants, constant delivery of the high-preference stimulus produced the greatest increases in performance over baseline; the varied presentation produced performance comparable to constant delivery of medium-preference stimuli. Results are discussed in terms of their implications for the selection and delivery of stimuli as part of employee performance-improvement programs in the field of organizational behavior management.

On the Kolmogorov constant in stochastic turbulence models

NASA Astrophysics Data System (ADS)

Heinz, Stefan

2002-11-01

The Kolmogorov constant is fundamental in stochastic models of turbulence. To explain the reasons for observed variations of this quantity, it is calculated for two flows by various methods and data. Velocity fluctuations are considered as the sum of contributions due to anisotropy, acceleration fluctuations and stochastic forcing that is controlled by the Kolmogorov constant. It is shown that the effects of anisotropy and acceleration fluctuations are responsible for significant variations of the Kolmogorov constant. It is found near 2 for flows where anisotropy and acceleration fluctuations contribute to the energy budget, and near 6 if such contributions disappear.

Kny Coupling Constants and Form Factors from the Chiral Bag Model

NASA Astrophysics Data System (ADS)

Jeong, M. T.; Cheon, Il-T.

2000-09-01

The form factors and coupling constants for KNΛ and KNΣ interactions have been calculated in the framework of the Chiral Bag Model with vector mesons. Taking into account vector meson (ρ, ω, K*) field effects, we find -3.88 ≤ gKNΛ ≤ -3.67 and 1.15 ≤ gKNΣ ≤ 1.24, where the quark-meson coupling constants are determined by fitting the renormalized, πNN coupling constant, [gπNN(0)]2/4π = 14.3. It is shown that vector mesons make significant contributions to the coupling constants gKNΛ and gKNΣ. Our values are existing within the experimental limits compared to the phenomenological values extracted from the kaon photo production experiments.

Tunable surface plasmon devices

DOEpatents

Shaner, Eric A [Rio Rancho, NM; Wasserman, Daniel [Lowell, MA

2011-08-30

A tunable extraordinary optical transmission (EOT) device wherein the tunability derives from controlled variation of the dielectric constant of a semiconducting material (semiconductor) in evanescent-field contact with a metallic array of sub-wavelength apertures. The surface plasmon resonance wavelength can be changed by changing the dielectric constant of the dielectric material. In embodiments of this invention, the dielectric material is a semiconducting material. The dielectric constant of the semiconducting material in the metal/semiconductor interfacial region is controllably adjusted by adjusting one or more of the semiconductor plasma frequency, the concentration and effective mass of free carriers, and the background high-frequency dielectric constant in the interfacial region. Thermal heating and/or voltage-gated carrier-concentration changes may be used to variably adjust the value of the semiconductor dielectric constant.

An investigation into the effects of frequency-modulated transcutaneous electrical nerve stimulation (TENS) on experimentally-induced pressure pain in healthy human participants.

PubMed

Chen, Chih-Chung; Johnson, Mark I

2009-10-01

Frequency-modulated transcutaneous electrical nerve stimulation (TENS) delivers currents that fluctuate between preset boundaries over a fixed period of time. This study compared the effects of constant-frequency TENS and frequency-modulated TENS on blunt pressure pain in healthy human volunteers. Thirty-six participants received constant-frequency TENS (80 pps), frequency-modulated TENS (20 to 100 pps), and placebo (no current) TENS at a strong nonpainful intensity in a randomized cross-over manner. Pain threshold was taken from the forearm using pressure algometry. There were no statistical differences between constant-frequency TENS and frequency-modulated TENS after 20 minutes (OR = 1.54; CI, 0.29, 8.23, P = 1.0). Both constant-frequency TENS and frequency-modulated TENS were superior to placebo TENS (OR = 59.5, P < .001 and OR = 38.5, P < .001, respectively). Frequency-modulated TENS does not influence hypoalgesia to any greater extent than constant-frequency TENS when currents generate a strong nonpainful paraesthesia at the site of pain. The finding that frequency-modulated TENS and constant-frequency TENS were superior to placebo TENS provides further evidence that a strong yet nonpainful TENS intensity is a prerequisite for hypoalgesia. This study provides evidence that TENS, delivered at a strong nonpainful intensity, increases pain threshold to pressure algometry in healthy participants over and above that seen with placebo (no current) TENS. Frequency-modulated TENS does not increase hypoalgesia to any appreciable extent to that seen with constant-frequency TENS.

The dynamics and optimal control of spinning spacecraft with movable telescoping appendages. Part C: Effect of flexibility during boom deployment

NASA Technical Reports Server (NTRS)

Bainum, P. M.; James, P. K.

1977-01-01

The dynamics of a spinning symmetrical spacecraft system during the deployment (or retraction) of flexible boom-type appendages were investigated. The effect of flexibility during boom deployment is treated by modelling the deployable members as compound spherical pendula of varying length (according to a control law). The orientation of the flexible booms with respect to the hub, is described by a sequence of two Euler angles. The boom members contain a flexural stiffness which can be related to an assumed effective restoring linear spring constant, and structural damping which effects the entire system. Linearized equations of motion for this system, when the boom length is constant, involve periodic coefficients with the frequency of the hub spin. A bounded transformation is found which converts this system into a kinematically equivalent one involving only constant coefficients.

Effects of tunnelling and asymmetry for system-bath models of electron transfer

NASA Astrophysics Data System (ADS)

Mattiat, Johann; Richardson, Jeremy O.

2018-03-01

We apply the newly derived nonadiabatic golden-rule instanton theory to asymmetric models describing electron-transfer in solution. The models go beyond the usual spin-boson description and have anharmonic free-energy surfaces with different values for the reactant and product reorganization energies. The instanton method gives an excellent description of the behaviour of the rate constant with respect to asymmetry for the whole range studied. We derive a general formula for an asymmetric version of the Marcus theory based on the classical limit of the instanton and find that this gives significant corrections to the standard Marcus theory. A scheme is given to compute this rate based only on equilibrium simulations. We also compare the rate constants obtained by the instanton method with its classical limit to study the effect of tunnelling and other quantum nuclear effects. These quantum effects can increase the rate constant by orders of magnitude.

Generating Fatigue Crack Growth Thresholds with Constant Amplitude Loads

NASA Technical Reports Server (NTRS)

Forth, Scott C.; Newman, James C., J.; Forman, Royce G.

2002-01-01

The fatigue crack growth threshold, defining crack growth as either very slow or nonexistent, has been traditionally determined with standardized load reduction methodologies. Some experimental procedures tend to induce load history effects that result in remote crack closure from plasticity. This history can affect the crack driving force, i.e. during the unloading process the crack will close first at some point along the wake, reducing the effective load at the crack tip. One way to reduce the effects of load history is to propagate a crack under constant amplitude loading. As a crack propagates under constant amplitude loading, the stress intensity factor, K, will increase, as will the crack growth rate, da/dN. A fatigue crack growth threshold test procedure is developed and experimentally validated that does not produce load history effects and can be conducted at a specified stress ratio, R.

[Grades evaluation of Phellodendri chinensis cortex pieces based on quality constant].

PubMed

Deng, Zhe; Jiao, Meng-Jiao; Zhang, Jun; Zhang, Qing; Cui, Wen-Jin; Shen, Li; Cheng, Jin-Tang; Liu, An

2017-09-01

Quality constant is a comprehensive grades evaluation method for traditional Chinese medicine decoction pieces, which is better but based on traditional way. In this paper, a new grading mode for Phellodendri chinensis pieces was established based on quality constant evaluation method. The results showed that the range of relative quality constant for 15 batches of different samples was from 0.41 to 0.96. As customary, if these samples were divided into three grades: the relative quality constant shall be ≥0.77 for first grade; <0.77 but ≥0.48 for the second grade; and ＜0.48 for the third grade. This research indicated that the quality constant mode can be used to effectively grade the P. chinensis pieces in a scientific, reasonable, objective and specific way. Simultaneously, it provided a beneficial reference for grading cortex herbal pieces or medicines. Copyright© by the Chinese Pharmaceutical Association.

Load positioning system with gravity compensation

NASA Technical Reports Server (NTRS)

Hollow, R. H.

1984-01-01

A load positioning system with gravity compensation has a servomotor, position sensing feedback potentiometer and velocity sensing tachometer in a conventional closed loop servo arrangement to cause a lead screw and a ball nut to vertically position a load. Gravity compensating components comprise the DC motor, gears, which couple torque from the motor to the lead screw, and constant current power supply. The constant weight of the load applied to the lead screw via the ball nut tend to cause the lead screw to rotate, the constant torque of which is opposed by the constant torque produced by the motor when fed from the constant current source. The constant current is preset as required by the potentiometer to effect equilibration of the load which thereby enables the positioning servomotor to see the load as weightless under both static and dynamic conditions. Positioning acceleration and velocity performance are therefore symmetrical.

General relativity with small cosmological constant from spontaneous compactification of Lovelock theory in vacuum

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

Canfora, Fabrizio; Willison, Steven; Giacomini, Alex

2009-08-15

It is shown that Einstein gravity in four dimensions with small cosmological constant and small extra dimensions can be obtained by spontaneous compactification of Lovelock gravity in vacuum. Assuming that the extra dimensions are compact spaces of constant curvature, general relativity is recovered within a certain class of Lovelock theories possessing necessarily cubic or higher order terms in curvature. This bounds the higher dimension to at least 7. Remarkably, the effective gauge coupling and Newton constant in four dimensions are not proportional to the gravitational constant in higher dimensions, but are shifted with respect to their standard values. This effectmore » opens up new scenarios where a maximally symmetric solution in higher dimensions could decay into the compactified spacetime either by tunneling or through a gravitational analog of ghost condensation. Indeed, this is what occurs requiring both the extra dimensions and the four-dimensional cosmological constant to be small.« less

Effects of BOX engineering on analogue/RF and circuit performance of InGaAs-OI-Si MOSFET

NASA Astrophysics Data System (ADS)

Maity, Subir Kr.; Pandit, Soumya

2017-11-01

InGaAs is an attractive choice as alternate channel material in n-channel metal oxide semiconductor transistor for high-performance applications. However, electrostatic integrity of such device is poor. In this paper, we present a comprehensive technology computer-aided design simulation-based study of the effect of scaling the thickness of the buried oxide (BOX) region and varying the dielectric constant of BOX material on the electrostatic integrity, analogue/radio frequency (RF) performance and circuit performance of InGaAs-on-Insulator device. Device with thin BOX layer gives better drain-induced barrier lowering performance which enhances output resistance. The carrier mobility remains almost constant with thinning of BOX layer up to certain value. By lowering the dielectric constant of the BOX material, it is further possible to improve the analogue and RF performance. Effect of BOX thickness scaling and role of BOX dielectric material on gain-frequency response of common source amplifier is also studied. It is observed that frequency response of the amplifier improves for thin BOX and with low dielectric constant-based material.

Increased anxiety-like behavior but no cognitive impairments in adult rats exposed to constant light conditions during perinatal development.

PubMed

Roman, Erika; Karlsson, Oskar

2013-11-01

Shift-work is suggested to affect fetal development negatively. In particular, maternal hormonal disturbance arising from sleep deprivation or circadian rhythm changes may disturb fetal growth or lead to complications during pregnancy. Exposure to constant light is an environmental stressor that can affect the circadian system and has been shown to induce neurochemical and behavioral changes when used during the prenatal and/or postnatal period in experimental animals. However, studies investigating long-term effects of constant light in the offspring are sparse. An accidental power outage resulted in pregnant females being housed under constant light (LL) conditions for seven days of the offspring perinatal development (embryonic day 20 to postnatal day 4). The long-term effects of constant light on the behavior in the adult offspring were assessed by means of open field, object recognition, and water maze tests. In adulthood, LL-animals displayed an intact recognition memory and no deficits in spatial learning or memory. In the open field test, LL-animals exhibited higher anxiety-like behavior, observed as significantly more thigmotaxis and less ambulation. These results were confirmed in the other behavioral tests as the LL-animals spent less time exploring the objects in the object recognition test, and showed thigmotactic behavior also in the water maze test. The results confirm that early life experience can cause changes in brain development that shape brain function and add to the sparse literature on long-term effects of constant light conditions during perinatal development on specific behaviors in adulthood.

Discovery of a Significant Acetone•Hydroperoxy Adduct Chaperone Effect and Its Impact on the Determination of Room Temperature Rate Constants for Acetonylperoxy/Hydroperoxy Self-Reactions and Cross Reaction Via Infrared Kinetic Spectroscopy.

NASA Astrophysics Data System (ADS)

Grieman, F. J.; Hui, A. O.; Okumura, M.; Sander, S. P.

2017-12-01

In order to model the upper troposphere/lower stratosphere in regions containing acetone properly, the kinetics of the acetonylperoxy/hydroperoxy self-reactions and cross reaction have been studied over a wide temperature range using Infrared Kinetic Spectroscopy. We report here the determination of different rate constants for the acetonylperoxy chemistry that we obtained at 298 K compared to currently accepted values. A considerable increase in the observed HO2 self-reaction rate constant due to rate enhancement via the chaperone effect from the reaction between HO2 and the (CH3)2CO•HO2 hydrogen-bonded adduct, even at room temperature, was discovered that was previously ignored. Correct determination of the acetonylperoxy and hydroperoxy kinetics must include this dependence of the HO2 self-reaction rate on acetone concentration. Via excimer laser flash photolysis to create the radical reactants, HO2 absorption was monitored in the infrared by diode laser wavelength modulation detection simultaneously with CH3C(O)CH2O2absorption monitored in the ultraviolet at 300 nm as a function of time. Resulting decay curves were fit concurrently first over a short time scale to obtain the rate constants minimizing subsequent product reactions. Modeling/fitting with a complete reaction scheme was then performed to refine the rate constants and test their veracity. Experiments were carried out over a variety of concentrations of acetone and methanol. Although no effect due to methanol concentration was found at room temperature, the rate constant for the hydroperoxy self-reaction was found to increase linearly with acetone concentration which is interpreted as the adduct being formed and resulting in a chaperone mechanism that enhances the self-reaction rate: (CH3)2CO·HO2 + HO2 → H2O2 + O2 + (CH3)2CO Including this effect, the resulting room temperature rate constants for the cross reaction and the acetonylperoxy self-reaction were found to be 2-3 times smaller than previously reported. This complex formation/chaperone mechanism is similar to that found for methanol, but different in that it occurs at room temperature. No precursor concentration dependence was found for the acetonylperoxy radical reactions. The equilibrium constant for the complex formation will also be presented.

Temperature dependence of structure, bending rigidity, and bilayer interactions of dioleoylphosphatidylcholine bilayers.

PubMed

Pan, Jianjun; Tristram-Nagle, Stephanie; Kucerka, Norbert; Nagle, John F

2008-01-01

X-ray diffuse scattering was measured from oriented stacks and unilamellar vesicles of dioleoylphosphatidylcholine lipid bilayers to obtain the temperature dependence of the structure and of the material properties. The area/molecule, A, was 75.5 A(2) at 45 degrees C, 72.4 A(2) at 30 degrees C, and 69.1 A(2) at 15 degrees C, which gives the area expansivity alpha(A) = 0.0029/deg at 30 degrees C, and we show that this value is in excellent agreement with the polymer brush theory. The bilayer becomes thinner with increasing temperature; the contractivity of the hydrocarbon portion was alpha(Dc) = 0.0019/deg; the difference between alpha(A) and alpha(Dc) is consistent with the previously measured volume expansivity alpha(Vc) = 0.0010/deg. The bending modulus K(C) decreased as exp(455/T) with increasing T (K). Our area compressibility modulus K(A) decreased with increasing temperature by 5%, the same as the surface tension of dodecane/water, in agreement again with the polymer brush theory. Regarding interactions between bilayers, the compression modulus B as a function of interbilayer water spacing D'(W) was found to be nearly independent of temperature. The repulsive fluctuation pressure calculated from B and K(C) increased with temperature, and the Hamaker parameter for the van der Waals interaction was nearly independent of temperature; this explains why the fully hydrated water spacing, D'(W), that we obtain from our structural results increases with temperature.

Minimum pickup velocity ( U pu) of nanoparticles in gas-solid pneumatic conveying

NASA Astrophysics Data System (ADS)

Anantharaman, Aditya; van Ommen, J. Ruud; Chew, Jia Wei

2015-12-01

This paper is the first systematic study of the pneumatic conveying of nanoparticles. The minimum pickup velocity, U pu, of six nanoparticle species of different materials [i.e., silicon dioxide (SiO2), aluminum oxide (Al2O3), and titanium dioxide (TiO2)] and surfaces (i.e., apolar and polar) was determined by the weight loss method. Results show that (1) due to relative lack of hydrogen bonding, apolar nanoparticles had higher mass loss values at the same velocities, mass loss curves with accentuated S-shaped profiles, and lower U pu values, (2) among the three species, SiO2, which has the lowest Hamaker coefficient, exhibited the greatest discrepancy between apolar and polar surfaces with respect to both mass loss curves and U pu values, (3) U mf,polar/ U mf,apolar was between 1 and 3.5 times that of U pu,polar/ U pu,apolar due to greater extents of hydrogen bonding associated with U mf, (4) U pu values were at least an order-of-magnitude lower than that expected from the well-acknowledged U pu correlation (Kalman et al., Powder Technol 160:103-113, 2005) due to agglomeration, (5) although nanoparticles should be categorized as Zone III (Kalman et al. 2005) (or Geldart group C, Powder Technol 7:285-292, 1973), the nanoparticles, and primary and complex agglomerates agreed more with the Zone I (or Geldart group B) correlation.

Long-Term Efficacy of Constant Current Deep Brain Stimulation in Essential Tremor.

PubMed

Rezaei Haddad, Ali; Samuel, Michael; Hulse, Natasha; Lin, Hsin-Ying; Ashkan, Keyoumars

2017-07-01

Ventralis intermedius deep brain stimulation is an established intervention for medication-refractory essential tremor. Newer constant current stimulation technology offers theoretical advantage over the traditional constant voltage systems in terms of delivering a more biologically stable therapy. There are no previous reports on the outcomes of constant current deep brain stimulation in the treatment of essential tremor. This study aimed to evaluate the long-term efficacy of ventralis intermedius constant current deep brain stimulation in patients diagnosed with essential tremor. Essential tremor patients implanted with constant current deep brain stimulation for a minimum of three years were evaluated. Clinical outcomes were assessed using the Fahn-Tolosa-Marin tremor rating scale at baseline and postoperatively at the time of evaluation. The quality of life in the patients was assessed using the Quality of Life in Essential Tremor questionnaire. Ten patients were evaluated with a median age at evaluation of 74 years (range 66-79) and a mean follow up time of 49.7 (range 36-78) months since starting stimulation. Constant current ventralis intermedius deep brain stimulation was well tolerated and effective in all patients with a mean score improvement from 50.7 ± 5.9 to 17.4 ± 5.7 (p = 0.0020) in the total Fahn-Tolosa-Marin rating scale score (65.6%). Furthermore, the total combined mean Quality of Life in Essential Tremor score was improved from 56.2 ± 4.9 to 16.8 ± 3.5 (p value = 0.0059) (70.1%). This report shows that long-term constant current ventralis intermedius deep brain stimulation is a safe and effective intervention for essential tremor patients. © 2017 International Neuromodulation Society.

Simple Model for Detonation Energy and Rate

NASA Astrophysics Data System (ADS)

Lauderbach, Lisa M.; Souers, P. Clark

2017-06-01

A simple model is used to derive the Eyring equation for the size effect and detonation rate, which depends on a constant energy density. The rate derived from detonation velocities is then converted into a rate constant to be used in a reactive flow model. The rate might be constant if the size effect curve is straight, but the rate constant will change with the radius of the sample and cannot be a constant. This is based on many careful cylinder tests have been run recently on LX-17 with inner copper diameters ranging from 12.7 to 101.6 mm. Copper wall velocities at scaled displacements of 6, 12.5 and 19 mm equate to values at relative volumes of 2.4, 4.4 and 7.0. At each point, the velocities from 25.4 to 101.6 mm are constant within error whereas the 12.7 mm velocities are lower. Using the updated Gurney model, the energy densities at the three larger sizes are also constant. Similar behavior has been seen in LX-14, LX-04, and an 83% RDX mix. A rough saturation has also been in old ANFO data for diameters of 101.6 mm and larger. Although the energy densities saturate, the detonation velocities continue to increase with size. These observations suggest that maximum energy density is a constant for a given explosive of a given density. The correlation of energy density with detonation velocity is not good because the latter depends on the total energy of the sample. This work performed under the auspices of the U. S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Theoretical rate constants of super-exchange hole transfer and thermally induced hopping in DNA.

PubMed

Shimazaki, Tomomi; Asai, Yoshihiro; Yamashita, Koichi

2005-01-27

Recently, the electronic properties of DNA have been extensively studied, because its conductivity is important not only to the study of fundamental biological problems, but also in the development of molecular-sized electronics and biosensors. We have studied theoretically the reorganization energies, the activation energies, the electronic coupling matrix elements, and the rate constants of hole transfer in B-form double-helix DNA in water. To accommodate the effects of DNA nuclear motions, a subset of reaction coordinates for hole transfer was extracted from classical molecular dynamics (MD) trajectories of DNA in water and then used for ab initio quantum chemical calculations of electron coupling constants based on the generalized Mulliken-Hush model. A molecular mechanics (MM) method was used to determine the nuclear Franck-Condon factor. The rate constants for two types of mechanisms of hole transfer-the thermally induced hopping (TIH) and the super-exchange mechanisms-were determined based on Marcus theory. We found that the calculated matrix elements are strongly dependent on the conformations of the nucleobase pairs of hole-transferable DNA and extend over a wide range of values for the "rise" base-step parameter but cluster around a particular value for the "twist" parameter. The calculated activation energies are in good agreement with experimental results. Whereas the rate constant for the TIH mechanism is not dependent on the number of A-T nucleobase pairs that act as a bridge, the rate constant for the super-exchange process rapidly decreases when the length of the bridge increases. These characteristic trends in the calculated rate constants effectively reproduce those in the experimental data of Giese et al. [Nature 2001, 412, 318]. The calculated rate constants were also compared with the experimental results of Lewis et al. [Nature 2000, 406, 51].

The Effects of Constant Time Delay Embedded into Teaching Activities for Teaching the Names of Clothes for Preschool Children with Developmental Disabilities

ERIC Educational Resources Information Center

Odluyurt, Serhat

2011-01-01

The general purpose of this study was to examine the effectiveness of constant time delay embedded in activities for teaching clothes name for preschool children with developmental disabilities. This study included four participants having Down syndrome with an age range of 43-46 months. All experimental sessions were conducted in one to one…

Effects of Constant Time Delay Procedure on the Halliwick's Method of Swimming Rotation Skills for Children with Autism

ERIC Educational Resources Information Center

Yilmaz, Ilker; Konukman, Ferman; Birkan, Binyamin; Ozen, Arzu; Yanardag, Mehmet; Camursoy, Ilhan

2010-01-01

Effects of a constant time delay procedure on the Halliwick's method of swimming rotation skills (i.e., vertical and lateral rotation) for children with autism were investigated. A single subject multiple baseline model across behaviors with probe conditions was used. Participants were three boys, 8-9 years old. Data were collected over a 10-week…

Prototype Development and Dynamic Characterization of Deployable CubeSat Booms

DTIC Science & Technology

2010-03-01

constant force of gravity and the constant force of photons impinging on the reflective Mylar surface of the craft. This could, in effect, provide a much...reflected photons of light for spacecraft propulsion. As acceleration is inversely proportional to the mass for a constant thrust, this method of...of the satellite. Additionally, with so much boom essentially stuffed within a small cavity, binding and entanglement issues are a near certainty

Simulation of Autonomic Logistics System (ALS) Sortie Generation

DTIC Science & Technology

2003-03-01

84 Appendix B. ANOVA Assumptions Mission Capable Rate ANOVA Assumptions Constant Variance SSR # X cols SSE n Breusch - Pagan Chi-square 3.57E...85 Flying Scheduling Effectiveness ANOVA Assumptions Constant Variance SSR # X cols SSE n Breusch - Pagan Chi-square 2.12E-10 3 0.000816 270...Constant Variance SSR # X cols SSE n Breusch - Pagan Chi-square 1.86E-09 3 0.003758 270 3.20308814 0.9556957 Independence Durbin-Watson

Elongational flow of polymer melts at constant strain rate, constant stress and constant force

NASA Astrophysics Data System (ADS)

Wagner, Manfred H.; Rolón-Garrido, Víctor H.

2013-04-01

Characterization of polymer melts in elongational flow is typically performed at constant elongational rate or rarely at constant tensile stress conditions. One of the disadvantages of these deformation modes is that they are hampered by the onset of "necking" instabilities according to the Considère criterion. Experiments at constant tensile force have been performed even more rarely, in spite of the fact that this deformation mode is free from necking instabilities and is of considerable industrial relevance as it is the correct analogue of steady fiber spinning. It is the objective of the present contribution to present for the first time a full experimental characterization of a long-chain branched polyethylene melt in elongational flow. Experiments were performed at constant elongation rate, constant tensile stress and constant tensile force by use of a Sentmanat Extensional Rheometer (SER) in combination with an Anton Paar MCR301 rotational rheometer. The accessible experimental window and experimental limitations are discussed. The experimental data are modelled by using the Wagner I model. Predictions of the steady-start elongational viscosity in constant strain rate and creep experiments are found to be identical, albeit only by extrapolation of the experimental data to Hencky strains of the order of 6. For constant stress experiments, a minimum in the strain rate and a corresponding maximum in the elongational viscosity is found at a Hencky strain of the order of 3, which, although larger than the steady-state value, follows roughly the general trend of the steady-state elongational viscosity. The constitutive analysis also reveals that constant tensile force experiments indicate a larger strain hardening potential than seen in constant elongation rate or constant tensile stress experiments. This may be indicative of the effect of necking under constant elongation rate or constant tensile stress conditions according to the Considère criterion.

Cosmological constant problem and renormalized vacuum energy density in curved background

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

Kohri, Kazunori; Matsui, Hiroki, E-mail: kohri@post.kek.jp, E-mail: matshiro@post.kek.jp

The current vacuum energy density observed as dark energy ρ{sub dark}≅ 2.5×10{sup −47} GeV{sup 4} is unacceptably small compared with any other scales. Therefore, we encounter serious fine-tuning problem and theoretical difficulty to derive the dark energy. However, the theoretically attractive scenario has been proposed and discussed in literature: in terms of the renormalization-group (RG) running of the cosmological constant, the vacuum energy density can be expressed as ρ{sub vacuum}≅ m {sup 2} H {sup 2} where m is the mass of the scalar field and rather dynamical in curved spacetime. However, there has been no rigorous proof to derivemore » this expression and there are some criticisms about the physical interpretation of the RG running cosmological constant. In the present paper, we revisit the RG running effects of the cosmological constant and investigate the renormalized vacuum energy density in curved spacetime. We demonstrate that the vacuum energy density described by ρ{sub vacuum}≅ m {sup 2} H {sup 2} appears as quantum effects of the curved background rather than the running effects of cosmological constant. Comparing to cosmological observational data, we obtain an upper bound on the mass of the scalar fields to be smaller than the Planck mass, m ∼< M {sub Pl}.« less

Co-solvent effects on reaction rate and reaction equilibrium of an enzymatic peptide hydrolysis.

PubMed

Wangler, A; Canales, R; Held, C; Luong, T Q; Winter, R; Zaitsau, D H; Verevkin, S P; Sadowski, G

2018-04-25

This work presents an approach that expresses the Michaelis constant KaM and the equilibrium constant Kth of an enzymatic peptide hydrolysis based on thermodynamic activities instead of concentrations. This provides KaM and Kth values that are independent of any co-solvent. To this end, the hydrolysis reaction of N-succinyl-l-phenylalanine-p-nitroanilide catalysed by the enzyme α-chymotrypsin was studied in pure buffer and in the presence of the co-solvents dimethyl sulfoxide, trimethylamine-N-oxide, urea, and two salts. A strong influence of the co-solvents on the measured Michaelis constant (KM) and equilibrium constant (Kx) was observed, which was found to be caused by molecular interactions expressed as activity coefficients. Substrate and product activity coefficients were used to calculate the activity-based values KaM and Kth for the co-solvent free reaction. Based on these constants, the co-solvent effect on KM and Kx was predicted in almost quantitative agreement with the experimental data. The approach presented here does not only reveal the importance of understanding the thermodynamic non-ideality of reactions taking place in biological solutions and in many technological applications, it also provides a framework for interpreting and quantifying the multifaceted co-solvent effects on enzyme-catalysed reactions that are known and have been observed experimentally for a long time.

Absolute NMR shielding scales and nuclear spin–rotation constants in {sup 175}LuX and {sup 197}AuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br and {sup 127}I)

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

Demissie, Taye B., E-mail: taye.b.demissie@uit.no; Komorovsky, Stanislav; Repisky, Michal

2015-10-28

We present nuclear spin–rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants, and shielding spans of all the nuclei in {sup 175}LuX and {sup 197}AuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I), calculated using coupled-cluster singles-and-doubles with a perturbative triples (CCSD(T)) correction theory, four-component relativistic density functional theory (relativistic DFT), and non-relativistic DFT. The total nuclear spin–rotation constants determined by adding the relativistic corrections obtained from DFT calculations to the CCSD(T) values are in general in agreement with available experimental data, indicating that the computational approach followed in this study allows us to predict reliable results formore » the unknown spin–rotation constants in these molecules. The total NMR absolute shielding constants are determined for all the nuclei following the same approach as that applied for the nuclear spin–rotation constants. In most of the molecules, relativistic effects significantly change the computed shielding constants, demonstrating that straightforward application of the non-relativistic formula relating the electronic contribution to the nuclear spin–rotation constants and the paramagnetic contribution to the shielding constants does not yield correct results. We also analyze the origin of the unusually large absolute shielding constant and its relativistic correction of gold in AuF compared to the other gold monohalides.« less

Performance Assessment of the Spare Parts for the Activation of Relocated Systems (SPARES) Forecasting Model

DTIC Science & Technology

1991-09-01

constant data into the gaining base’s computer records. Among the data elements to be loaded, the 1XT434 image contains the level detail effective date...the mission support effective date, and the PBR override (19:19-203). In conjunction with the 1XT434, the Mission Change Parameter Image (Constant...the gaining base (19:19-208). The level detail effective date establishes the date the MCDDFR and MCDDR "are considered by the requirements computation

Effective-range parameters and vertex constants for Λ-nuclear systems

NASA Astrophysics Data System (ADS)

Rakityansky, S. A.; Gopane, I. M.

For a wide range of the core-nuclei (6 ≤ A ≤ 207), the scattering lengths, effective radii, and the other effective-range parameters (up to the order ˜ k8) for the angular momentum ℓ = 0, 1, 2 are calculated within a two-body ΛA-model. For the same hypernuclear systems, the S-matrix residues as well as the corresponding Nuclear-Vertex and Asymptotic-Normalization constants (NVC’s and ANC’s) for the bound states are also found.

The impact of inter-fraction dose variations on biological equivalent dose (BED): the concept of equivalent constant dose.

PubMed

Zavgorodni, S

2004-12-07

Inter-fraction dose fluctuations, which appear as a result of setup errors, organ motion and treatment machine output variations, may influence the radiobiological effect of the treatment even when the total delivered physical dose remains constant. The effect of these inter-fraction dose fluctuations on the biological effective dose (BED) has been investigated. Analytical expressions for the BED accounting for the dose fluctuations have been derived. The concept of biological effective constant dose (BECD) has been introduced. The equivalent constant dose (ECD), representing the constant physical dose that provides the same cell survival fraction as the fluctuating dose, has also been introduced. The dose fluctuations with Gaussian as well as exponential probability density functions were investigated. The values of BECD and ECD calculated analytically were compared with those derived from Monte Carlo modelling. The agreement between Monte Carlo modelled and analytical values was excellent (within 1%) for a range of dose standard deviations (0-100% of the dose) and the number of fractions (2 to 37) used in the comparison. The ECDs have also been calculated for conventional radiotherapy fields. The analytical expression for the BECD shows that BECD increases linearly with the variance of the dose. The effect is relatively small, and in the flat regions of the field it results in less than 1% increase of ECD. In the penumbra region of the 6 MV single radiotherapy beam the ECD exceeded the physical dose by up to 35%, when the standard deviation of combined patient setup/organ motion uncertainty was 5 mm. Equivalently, the ECD field was approximately 2 mm wider than the physical dose field. The difference between ECD and the physical dose is greater for normal tissues than for tumours.

Constant versus variable response signal delays in speed--accuracy trade-offs: effects of advance preparation for processing time.

PubMed

Miller, Jeff; Sproesser, Gudrun; Ulrich, Rolf

2008-07-01

In two experiments, we used response signals (RSs) to control processing time and trace out speed--accuracy trade-off(SAT) functions in a difficult perceptual discrimination task. Each experiment compared performance in blocks of trials with constant and, hence, temporally predictable RS lags against performance in blocks with variable, unpredictable RS lags. In both experiments, essentially equivalent SAT functions were observed with constant and variable RS lags. We conclude that there is little effect of advance preparation for a given processing time, suggesting that the discrimination mechanisms underlying SAT functions are driven solely by bottom-up information processing in perceptual discrimination tasks.

Frustration in protein elastic network models

NASA Astrophysics Data System (ADS)

Lezon, Timothy; Bahar, Ivet

2010-03-01

Elastic network models (ENMs) are widely used for studying the equilibrium dynamics of proteins. The most common approach in ENM analysis is to adopt a uniform force constant or a non-specific distance dependent function to represent the force constant strength. Here we discuss the influence of sequence and structure in determining the effective force constants between residues in ENMs. Using a novel method based on entropy maximization, we optimize the force constants such that they exactly reporduce a subset of experimentally determined pair covariances for a set of proteins. We analyze the optimized force constants in terms of amino acid types, distances, contact order and secondary structure, and we demonstrate that including frustrated interactions in the ENM is essential for accurately reproducing the global modes in the middle of the frequency spectrum.

Reaction of SO2 with OH in the atmosphere.

PubMed

Long, Bo; Bao, Junwei Lucas; Truhlar, Donald G

2017-03-15

The OH + SO 2 reaction plays a critical role in understanding the oxidation of SO 2 in the atmosphere, and its rate constant is critical for clarifying the fate of SO 2 in the atmosphere. The rate constant of the OH + SO 2 reaction is calculated here by using beyond-CCSDT correlation energy calculations for a benchmark, validated density functional methods for direct dynamics, canonical variational transition state theory with anharmonicity and multidimensional tunneling for the high-pressure rate constant, and system-specific quantum RRK theory for pressure effects; the combination of these methods can compete in accuracy with experiments. There has been a long-term debate in the literature about whether the OH + SO 2 reaction is barrierless, but our calculations indicate a positive barrier with an transition structure that has an enthalpy of activation of 0.27 kcal mol -1 at 0 K. Our results show that the high-pressure limiting rate constant of the OH + SO 2 reaction has a positive temperature dependence, but the rate constant at low pressures has a negative temperature dependence. The computed high-pressure limiting rate constant at 298 K is 1.25 × 10 -12 cm 3 molecule -1 s -1 , which agrees excellently with the value (1.3 × 10 -12 cm 3 molecule -1 s -1 ) recommended in the most recent comprehensive evaluation for atmospheric chemistry. We show that the atmospheric lifetime of SO 2 with respect to oxidation by OH depends strongly on altitude (in the range 0-50 km) due to the falloff effect. We introduce a new interpolation procedure for fitting the combined temperature and pressure dependence of the rate constant, and it fits the calculated rate constants over the whole range with a mean unsigned error of only 7%. The present results provide reliable kinetics data for this specific reaction, and also they demonstrate convenient theoretical methods that can be reliable for predicting rate constants of other gas-phase reactions.

Substitution and protonation effects on spin-spin coupling constants in prototypical aromatic rings: C6H6, C5H5N and C5H5P.

PubMed

Del Bene, Janet E; Elguero, José

2006-08-01

Ab initio equation-of-motion coupled cluster calculations have been carried out to evaluate one-, two-, and three-bond 13C-13C, 15N-13C, 31P-13C coupling constants in benzene, pyridine, pyridinium, phosphinine, and phosphininium. The introduction of N or P heteroatoms into the aromatic ring not only changes the magnitudes of the corresponding X-C coupling constants (J, for X = C, N, or P) but also the signs and magnitudes of corresponding reduced coupling constants (K). Protonation of the heteroatoms also produces dramatic changes in coupling constants and, by removing the lone pair of electrons from the sigma-electron framework, leads to the same signs for corresponding reduced coupling constants for benzene, pyridinium, and phosphininium. C-C coupling constants are rather insensitive to the presence of the heteroatoms and protonation. All terms that contribute to the total coupling constant (except for the diamagnetic spin-orbit (DSO) term) must be computed if good agreement with experimental data is to be obtained. Copyright 2006 John Wiley & Sons, Ltd.

Strongly nonlinear composite dielectrics: A perturbation method for finding the potential field and bulk effective properties

NASA Astrophysics Data System (ADS)

Blumenfeld, Raphael; Bergman, David J.

1991-10-01

A class of strongly nonlinear composite dielectrics is studied. We develop a general method to reduce the scalar-potential-field problem to the solution of a set of linear Poisson-type equations in rescaled coordinates. The method is applicable for a large variety of nonlinear materials. For a power-law relation between the displacement and the electric fields, it is used to solve explicitly for the value of the bulk effective dielectric constant ɛe to second order in the fluctuations of its local value. A simlar procedure for the vector potential, whose curl is the displacement field, yields a quantity analogous to the inverse dielectric constant in linear dielectrics. The bulk effective dielectric constant is given by a set of linear integral expressions in the rescaled coordinates and exact bounds for it are derived.

The effect of the cosmological constant on a quadrupole signal in the linearized approximation

NASA Astrophysics Data System (ADS)

Somlai, László Ábel; Vasúth, Mátyás

In this study the effects of a nonzero cosmological constant Λ on a quadrupole gravitational wave (GW) signal are analyzed. The linearized approximation of general relativity was used, so the perturbed metric can be written as the sum of hGW GWs and hΛ background term, originated from Λ. The ΛhGW term was also included in this study. To derive physically relevant consequences of Λ≠0 comoving coordinates are used. In these coordinates, the equations of motion (EoMs) are not self-consistent so the result of the linearized theory has to be transformed to the FRW frame. The luminosity distance and the same order of the magnitude of frequency in accordance with the detected GWs were used to demonstrate the effects of the cosmological constant.

Time variation of fundamental constants in nonstandard cosmological models

NASA Astrophysics Data System (ADS)

Mosquera, M. E.; Civitarese, O.

2017-10-01

In this work we have studied the lithium problem in nonstandard cosmological models. In particular, by using the public code alterbbn, we have included in the computation of the primordial light nuclei abundances, the effects of the inclusion of dark energy and dark entropy, along with the variation of the fine structure constant and the Higgs vacuum expectation value. In order to set constrains on the variation of the fundamental constants we have compared our theoretical results with the available observational data. We have found that the lithium abundance is reduced for not-null variation at the 3 σ -level of both constants.

Contribution of irregular semicircular canal afferents to the horizontal vestibuloocular response during constant velocity rotation

NASA Technical Reports Server (NTRS)

Angelaki, D. E.; Perachio, A. A.

1993-01-01

1. The effects of constant anodal currents (100 microA) delivered bilaterally to both labyrinths on the horizontal vestibuloocular response (VOR) were studied in squirrel monkeys during steps of angular velocity in the dark. We report that bilateral anodal currents decreased eye velocity approximately 30-50% during the period of galvanic stimulation without a change in the time constant of VOR. The decrease in eye velocity, present during steps of angular velocity, was not observed during sinusoidal head rotation at 0.2, 0.5, and 1 Hz. The results suggest that responses from irregular vestibular afferents influence VOR amplitude during constant velocity rotation.

Nonadiabatic rate constants for proton transfer and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the vibronic coupling expansion

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

Soudackov, Alexander; Hammes-Schiffer, Sharon

2015-11-17

Rate constant expressions for vibronically nonadiabatic proton transfer and proton-coupled electron transfer reactions are presented and analyzed. The regimes covered include electronically adiabatic and nonadiabatic reactions, as well as high-frequency and low-frequency regimes for the proton donor-acceptor vibrational mode. These rate constants differ from previous rate constants derived with the cumulant expansion approach in that the logarithmic expansion of the vibronic coupling in terms of the proton donor-acceptor distance includes a quadratic as well as a linear term. The analysis illustrates that inclusion of this quadratic term does not significantly impact the rate constants derived using the cumulant expansion approachmore » in any of the regimes studied. The effects of the quadratic term may become significant when using the vibronic coupling expansion in conjunction with a thermal averaging procedure for calculating the rate constant, however, particularly at high temperatures and for proton transfer interfaces with extremely soft proton donor-acceptor modes that are associated with extraordinarily weak hydrogen bonds. Even with the thermal averaging procedure, the effects of the quadratic term for weak hydrogen-bonding systems are less significant for more physically realistic models that prevent the sampling of unphysical short proton donor-acceptor distances, and the expansion of the coupling can be avoided entirely by calculating the couplings explicitly for the range of proton donor-acceptor distances. This analysis identifies the regimes in which each rate constant expression is valid and thus will be important for future applications to proton transfer and proton-coupled electron transfer in chemical and biological processes. We are grateful for support from National Institutes of Health Grant GM056207 (applications to enzymes) and the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences (applications to molecular electrocatalysts).« less

Effects of damage to the suprachiasmatic area of the anterior hypothalamus on the daily melatonin and cortisol rhythms in the rhesus monkey

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

Reppert, S.M.; Perlow, M.J.; Ungerleider, L.G.

The effects of lesions of the suprachiasmatic nucleus (SCN) on the circadian rhythms in melatonin and cortisol were examined in the rhesus monkey. The concentrations of the two hormones were monitored in cerebrospinal fluid (CSF) withdrawn from two sham-operated animals, two animals with complete bilateral SCN lesions, and two animals with partial SCN damage at 4 and 8 months after surgery. In the sham-operated animals, as in the intact animal, the daily melatonin rhythm was entrained to the daily light-dark cycle, was suppressed in constant light, and persisted in constant darkness. In contrast, neither animal with complete SCN ablation exhibitedmore » a daily pattern of CSF melatonin in diurnal lighting at 4 months after surgery nor were their melatonin levels at constant low values. Furthermore, CSF melatonin concentrations were not suppressed in either animal by constant light. Surprisingly, at 8 months after surgery, spectral analysis revealed a 24-hr component to the melatonin patterns for each animal with complete SCN ablation in both diurnal lighting and constant darkness. The two animals with partial SCN damage exhibited a daily melatonin rhythm in diurnal lighting, but constant light did not suppress CSF melatonin concentrations consistently. Daily rhythms persisted in both for a 6 1/2-d period of study in constant darkness. In contrast to the alterations in the melatonin rhythm after SCN damage, there was no apparent effect of either partial or complete SCN ablation on the daily CSF cortisol rhythm. These data indicate that, in the rhesus monkey, the SCN is important for the generation, photic entrainment, and photic suppression of the melatonin rhythm. However, circadian oscillators located outside of the SCN region may control the normal daily cortisol rhythm and perhaps the melatonin rhythm in the absence of the SCN.« less

Return-to-launch-site three degree of freedom analysis, constant inertial attitude during the fuel dissipation phase

NASA Technical Reports Server (NTRS)

Bown, R. L.; Winans, L. C.

1975-01-01

Results are presented of a study to show the effect of selecting a constant inertial attitude during the fuel dissipation phase of a return-to-launch-site abort. Results are also presented which show that the selection of the constant inertial attitude will affect the arrival point on the range-velocity target line. An alternate selection of the inertial attitude will provide control over the trajectory shape.

Evaluation of the Circulatory Dynamics by using the Windkessel Model in Different Body Positions

NASA Astrophysics Data System (ADS)

Kotani, Kiyoshi; Iida, Fumiaki; Ogawa, Yutaro; Takamasu, Kiyoshi; Jimbo, Yasuhiko

Autonomic nervous system is important in maintaining homeostasis by the opposing effects of sympathetic and parasympathetic nervous activity on organs. However, it is known that they are at times simultaneously increased or decreased in cases of strong fear or depression. Therefore, it is required to evaluate sympathetic and parasympathetic nervous activity independently. In this paper, we propose a method to evaluate sympathetic nervous activity by analyzing the decreases in blood pressure by utilizing the Windkessel model. Experiments are performed in sitting and standing positions for 380 s, respectively. First, we evaluate the effects of length for analysis on the Windkessel time constant. We shorten the length for analysis by multiplying constant coefficients (1.0, 0.9, and 0.8) to the length of blood pressure decrease and then cut-out the waveform for analysis. Then it is found that the Windkessel time constant is decreased as the length for analysis is shortened. This indicates that the length for analysis should be matched when the different experiments are compared. Second, we compare the Windkessel time constant of sitting to that of standing by matching their length for analysis. With statistically significant difference (P<0.05) the results indicate that the Windkessel time constant is larger in the sitting position. Through our observations this difference in the Windkessel time constant is caused by sympathetic nervous activity on vascular smooth muscle.

Stepwise formation of H3O(+)(H2O)n in an ion drift tube: Empirical effective temperature of association/dissociation reaction equilibrium in an electric field.

PubMed

Nakai, Yoichi; Hidaka, Hiroshi; Watanabe, Naoki; Kojima, Takao M

2016-06-14

We measured equilibrium constants for H3O(+)(H2O)n-1 + H2O↔H3O(+)(H2O)n (n = 4-9) reactions taking place in an ion drift tube with various applied electric fields at gas temperatures of 238-330 K. The zero-field reaction equilibrium constants were determined by extrapolation of those obtained at non-zero electric fields. From the zero-field reaction equilibrium constants, the standard enthalpy and entropy changes, ΔHn,n-1 (0) and ΔSn,n-1 (0), of stepwise association for n = 4-8 were derived and were in reasonable agreement with those measured in previous studies. We also examined the electric field dependence of the reaction equilibrium constants at non-zero electric fields for n = 4-8. An effective temperature for the reaction equilibrium constants at non-zero electric field was empirically obtained using a parameter describing the electric field dependence of the reaction equilibrium constants. Furthermore, the size dependence of the parameter was thought to reflect the evolution of the hydrogen-bond structure of H3O(+)(H2O)n with the cluster size. The reflection of structural information in the electric field dependence of the reaction equilibria is particularly noteworthy.

Exploratory studies of new avenues to achieve high electromechanical response and high dielectric constant in polymeric materials

NASA Astrophysics Data System (ADS)

Huang, Cheng

High performance soft electronic materials are key elements in advanced electronic devices for broad range applications including capacitors, actuators, artificial muscles and organs, smart materials and structures, microelectromechanical (MEMS) and microfluidic devices, acoustic devices and sensors. This thesis exploits new approaches to improve the electromechanical response and dielectric response of these materials. By making use of novel material phenomena such as large anisotropy in dipolar response in liquid crystals (LCs) and all-organic composites in which high dielectric constant organic solids and conductive polymers are either physically blended into or chemically grafted to a polymer matrix, we demonstrate that high dielectric constant and high electromechanical conversion efficiency comparable to that in ceramic materials can be achieved. Nano-composite approach can also be utilized to improve the performance of the electronic electroactive polymers (EAPs) and composites, for example, exchange coupling between the fillers and matrix with very large dielectric contrast can lead to significantly enhance the dielectric response as well as electromechanical response when the heterogeneity size of the composite is comparable to the exchange length. In addition to the dielectric composites, in which high dielectric constant fillers raise the dielectric constant of composites, conductive percolation can also lead to high dielectric constant in polymeric materials. An all-polymer percolative composite is introduced which exhibits very high dielectric constant (>7,000). The flexible all-polymer composites with a high dielectric constant make it possible to induce a high electromechanical response under a much reduced electric field in the field effect electroactive polymer (EAP) actuators (a strain of 2.65% with an elastic energy density of 0.18 J/cm3 can be achieved under a field of 16 V/mum). Agglomeration of the particles can also be effectively prevented by in situ preparation. High dielectric constant copper phthalocyanine oligomer and conductive polyaniline oligomer were successfully bonded to polyurethane backbone to form fully functionalized nano-phase polymers. Improvement of dispersibility of oligomers in polymer matrix makes the system self-organize the nanocomposites possessing oligomer nanophase (below 30nm) within the fully functionalized polymers. The resulting nanophase polymers significantly enhance the interface effect, which through the exchange coupling raises the dielectric response markedly above that expected from simple mixing rules for dielectric composites. Consequently, these nano-phase polymers offer a high dielectric constant (a dielectric constant near 1,000 at 20 Hz), improve the breakdown field and mechanical properties, and exhibit high electromechanical response. A longitudinal strain of more than -14% can be induced under a much reduced field, 23 V/mum, with an elastic energy density of higher than 1 J/cm3. The elastic modulus is as high as 100MPa, and a transverse strain is 7% under the same field. (Abstract shortened by UMI.)

Kinetics of corneal thermal shrinkage

NASA Astrophysics Data System (ADS)

Borja, David; Manns, Fabrice; Lee, William E.; Parel, Jean-Marie

2004-07-01

Purpose: The purpose of this study was to determine the effects of temperature and heating duration on the kinetics of thermal shrinkage in corneal strips using a custom-made shrinkage device. Methods: Thermal shrinkage was induced and measured in corneal strips under a constant load placed while bathed in 25% Dextran irrigation solution. A study was performed on 57 Florida Lions Eye Bank donated human cadaver eyes to determine the effect of temperature on the amount and rate of thermal shrinkage. Further experiments were performed on 20 human cadaver eyes to determine the effects of heating duration on permanent shrinkage. Data analysis was performed to determine the effects of temperature, heating duration, and age on the amount and kinetics of shrinkage. Results: Shrinkage consisted of two phases: a shrinkage phase during heating and a regression phase after heating. Permanent shrinkage increased with temperature and duration. The shrinkage and regression time constants followed Arrhenius type temperature dependence. The shrinkage time constants where calculated to be 67, 84, 121, 560 and 1112 (s) at 80, 75, 70, 65, and 60°C respectively. At 65°C the permanent shrinkage time constant was calculated to be 945s. Conclusion: These results show that shrinkage treatments need to raise the temperature of the tissue above 75°C for several seconds in order to prevent regression of the shrinkage effect immediately after treatment and to induce the maximum amount of permanent irreversible shrinkage.

Basicity of pyridine and some substituted pyridines in ionic liquids.

PubMed

Angelini, Guido; De Maria, Paolo; Chiappe, Cinzia; Fontana, Antonella; Pierini, Marco; Siani, Gabriella

2010-06-04

The equilibrium constants for ion pair formation of some pyridines have been evaluated by spectrophotometric titration with trifluoroacetic acid in different ionic liquids. The basicity order is the same in ionic liquids and in water. The substituent effect on the equilibrium constant has been discussed in terms of the Hammett equation. Pyridine basicity appears to be less sensitive to the substituent effect in ionic liquids than in water.

The Effect of a Constant Time Delay Procedure on Teaching an Adult with Severe Mental Retardation a Recreation Bowling Skill

ERIC Educational Resources Information Center

Zhang, Jiabei; Cote, Bridget; Chen, Shihui; Liu, John

2004-01-01

The purpose of this study was to examine the effect of a constant time delay (CTD) procedure on teaching a recreational bowling skill to a 39-year-old male with severe mental retardation. The CTD procedure used 5 seconds as delay interval, task direction as target stimulus, physical assistance as controlling prompt, and oral praise as reinforcer.…

Equilibrium muscle cross-bridge behavior. Theoretical considerations.

PubMed Central

Schoenberg, M

1985-01-01

We have developed a model for the equilibrium attachment and detachment of myosin cross-bridges to actin that takes into account the possibility that a given cross-bridge can bind to one of a number of actin monomers, as seems likely, rather than to a site on only a single actin monomer, as is often assumed. The behavior of this multiple site model in response to constant velocity, as well as instantaneous stretches, was studied and the influence of system parameters on the force response explored. It was found that in the multiple site model the detachment rate constant has considerably greater influence on the mechanical response than the attachment rate constant. It is shown that one can obtain information about the detachment rate constants either by examining the relationship between the apparent stiffness and duration of stretch for constant velocity stretches or by examining the force-decay rate constants following an instantaneous stretch. The main effect of the attachment rate constant is to scale the mechanical response by influencing the number of attached cross-bridges. The significance of the modeling for the interpretation of experimental results is discussed. PMID:4041539

Investigation of the frequency response of constant voltage anemometers in turbulent flows

NASA Astrophysics Data System (ADS)

Sadeghi Hassanlouei, Atabak

A commercially available anemometer system considered as a prototype, the constant voltage anemometer (CVA), is presented and its working principle is studied and analyzed. We detail the different procedures and corrections that have to be applied to voltage signals to deduce corresponding velocity signals, including the effect of the thermal inertia of the sensor. Results are compared to another anemometer system widely used in research and industry, the constant temperature anemometer (CTA), for validation requirements. Measurements are performed in the turbulent region of a subsonic axisymmetric jet and include mean velocities, root-mean-square (rms) values of velocity fluctuations and power spectral densities. In the same range of operation, we show that the two instruments give similar results. The CVA anemometer slightly underestimates the rms velocity values given by the CTA anemometer which is attributed to a non-linear effect. We show that the cut-off frequency of the CVA system is higher than the more commonly used CTA system, and that the electronic noise level is lower. The constant voltage anemometer is thus an excellent alternative to the constant temperature anemometer for low turbulent flows with rich frequency content, such as supersonic and hypersonic flows.

Effect of halo-substituted aromatic salts on counterion binding constants obtained from cationic nanoparticle catalyzed reactions of piperidine and phenyl salicylate

NASA Astrophysics Data System (ADS)

Fagge, Ibrahim I.; Yusof, Nor Saadah M.; Zain, Sharifuddin Md; Khan, M. Niyaz

2017-12-01

Halo-substitutions at 3-position of benzene ring of the salts of aromatic carboxylate, MX, revealed the effect of two different halide ions (Br- and Cl-) on the counterion binding constants obtained from cationic nanoparticle catalyzed piperidinolysis of ionized phenyl salicylate (PhS-). The values of observed rate constant, kobs, determined at a constant total concentration of cetyltrimethylammonium bromide, [CTABr]T, piperidine, ([P]T), [PhS-]T, NaOH, and various concentration of MX (MX = 3-BrC6H4CO2Na and 3-ClC6H4CO2Na), were determined using UV-visible X spectrophotometric technique at 35 °C and 370 nm. The average value of nanoparticle binding constant, KXBr, for X- = 3-BrC6H4CO2- (RXBr = 57) was found to be about 2-fold larger than that for X- = 3-ClC6H4CO2- (RXBr = 30). These XX values were dependent of substituents 3-Br and 3-Cl, and independent of [CTABr]T. Both are related to the presence of different extent of viscoelastic worm-like nanoparticles formation in the [CTABr]T of 6 and 10 mM.

Effect of surface curvature on diffusion-limited reactions on a curved surface

NASA Astrophysics Data System (ADS)

Eun, Changsun

2017-11-01

To investigate how the curvature of a reactive surface can affect reaction kinetics, we use a simple model in which a diffusion-limited bimolecular reaction occurs on a curved surface that is hollowed inward, flat, or extended outward while keeping the reactive area on the surface constant. By numerically solving the diffusion equation for this model using the finite element method, we find that the rate constant is a non-linear function of the surface curvature and that there is an optimal curvature providing the maximum value of the rate constant, which indicates that a spherical reactant whose entire surface is reactive (a uniformly reactive sphere) is not the most reactive species for a given reactive surface area. We discuss how this result arises from the interplay between two opposing effects: the exposedness of the reactive area to its partner reactants, which causes the rate constant to increase as the curvature increases, and the competition occurring on the reactive surface, which decreases the rate constant. This study helps us to understand the role of curvature in surface reactions and allows us to rationally design reactants that provide a high reaction rate.

Ironless-armature brushless motor

NASA Technical Reports Server (NTRS)

Fisher, R. L.

1977-01-01

Device uses 12-pole samarium cobalt permanent-magnet rotor and three Hall-effect sensors for commutation. In prototype motor, torque constant (3-phase delta) is 65 oz-in/amp; electrical time constant (L/R) is 0.2 x 0.001 sec, and armature resistance is 20 ohms.

The Conceptual Change Approach to Teaching Chemical Equilibrium

ERIC Educational Resources Information Center

Canpolat, Nurtac; Pinarbasi, Tacettin; Bayrakceken, Samih; Geban, Omer

2006-01-01

This study investigates the effect of a conceptual change approach over traditional instruction on students' understanding of chemical equilibrium concepts (e.g. dynamic nature of equilibrium, definition of equilibrium constant, heterogeneous equilibrium, qualitative interpreting of equilibrium constant, changing the reaction conditions). This…

Application of dielectric constant measurement in microwave sludge disintegration and wastewater purification processes.

PubMed

Kovács, Petra Veszelovszki; Lemmer, Balázs; Keszthelyi-Szabó, Gábor; Hodúr, Cecilia; Beszédes, Sándor

2018-05-01

It has been numerously verified that microwave radiation could be advantageous as a pre-treatment for enhanced disintegration of sludge. Very few data related to the dielectric parameters of wastewater of different origins are available; therefore, the objective of our work was to measure the dielectric constant of municipal and meat industrial wastewater during a continuous flow operating microwave process. Determination of the dielectric constant and its change during wastewater and sludge processing make it possible to decide on the applicability of dielectric measurements for detecting the organic matter removal efficiency of wastewater purification process or disintegration degree of sludge. With the measurement of dielectric constant as a function of temperature, total solids (TS) content and microwave specific process parameters regression models were developed. Our results verified that in the case of municipal wastewater sludge, the TS content has a significant effect on the dielectric constant and disintegration degree (DD), as does the temperature. The dielectric constant has a decreasing tendency with increasing temperature for wastewater sludge of low TS content, but an adverse effect was found for samples with high TS and organic matter contents. DD of meat processing wastewater sludge was influenced significantly by the volumetric flow rate and power level, as process parameters of continuously flow microwave pre-treatments. It can be concluded that the disintegration process of food industry sludge can be detected by dielectric constant measurements. From technical purposes the applicability of dielectric measurements was tested in the purification process of municipal wastewater, as well. Determination of dielectric behaviour was a sensitive method to detect the purification degree of municipal wastewater.

Reproduction of bobwhites fed different dietary concentrations of an organophosphate insecticide, methamidophos

USGS Publications Warehouse

Stromborg, K.L.

1986-01-01

Pairs of first-year breeding bobwhites were fed constant or variable concentrations of methamidophos for 15 days, or a control diet in a pair-fed design in which they were matched by body weights to pairs in the constant group. Treatments for the constant group were 5.0, 7.8, 12.3, 19.2, and 30.0 ppm for 5 pairs at each concentration. The number of pairs per concentration and peak concentrations for the variable pairs were identical to the constant dosages. Concentrations for the variable group were increased by a factor of four during two 3-day periods in order to reach the peak concentrations on days 7?9 after which they were decreased by 18% every 3 days to correspond to an environmental half-time of 10.5 days. Food consumption, egg production, hatchability of eggs under artificial incubation, and survival of hatched chicks for 2 weeks were recorded for each pair during 15-day treatment and 21-day posttreatment periods. Mortality was high in the highest constant dosage (2/10) and the associated pair-fed groups (3/10). Food consumption and egg production rates were negatively dose-related during the treatment period in the constant and variable groups. The laying rate of pair-fed hens was reduced to the same extent as in the constant group. Reproductive inhibition was not permanent and pairs resumed laying after a dose-related recovery interval. No dose-related effects on hatchability or chick survival were detected. Furthermore, there was no evidence of a pesticide effect on reproduction in addition to that exerted through pesticide-induced anorexia.

Automatic exposure control systems designed to maintain constant image noise: effects on computed tomography dose and noise relative to clinically accepted technique charts.

PubMed

Favazza, Christopher P; Yu, Lifeng; Leng, Shuai; Kofler, James M; McCollough, Cynthia H

2015-01-01

To compare computed tomography dose and noise arising from use of an automatic exposure control (AEC) system designed to maintain constant image noise as patient size varies with clinically accepted technique charts and AEC systems designed to vary image noise. A model was developed to describe tube current modulation as a function of patient thickness. Relative dose and noise values were calculated as patient width varied for AEC settings designed to yield constant or variable noise levels and were compared to empirically derived values used by our clinical practice. Phantom experiments were performed in which tube current was measured as a function of thickness using a constant-noise-based AEC system and the results were compared with clinical technique charts. For 12-, 20-, 28-, 44-, and 50-cm patient widths, the requirement of constant noise across patient size yielded relative doses of 5%, 14%, 38%, 260%, and 549% and relative noises of 435%, 267%, 163%, 61%, and 42%, respectively, as compared with our clinically used technique chart settings at each respective width. Experimental measurements showed that a constant noise-based AEC system yielded 175% relative noise for a 30-cm phantom and 206% relative dose for a 40-cm phantom compared with our clinical technique chart. Automatic exposure control systems that prescribe constant noise as patient size varies can yield excessive noise in small patients and excessive dose in obese patients compared with clinically accepted technique charts. Use of noise-level technique charts and tube current limits can mitigate these effects.

Chemical Principles Revisited: Chemical Equilibrium.

ERIC Educational Resources Information Center

Mickey, Charles D.

1980-01-01

Describes: (1) Law of Mass Action; (2) equilibrium constant and ideal behavior; (3) general form of the equilibrium constant; (4) forward and reverse reactions; (5) factors influencing equilibrium; (6) Le Chatelier's principle; (7) effects of temperature, changing concentration, and pressure on equilibrium; and (8) catalysts and equilibrium. (JN)

Let's Measure the Dielectric Constant of a Piece of Paper!

ERIC Educational Resources Information Center

Karlow, Edwin A.

1991-01-01

Described is a simple circuit with which students can observe the effect of common dielectric materials in a capacitor and measure the dielectric constant of a piece of paper. Discussed are the theory, apparatus construction, and experimental procedures for this activity. (CW)

Temperature and circulation in the stratospheres of the outer planets

NASA Technical Reports Server (NTRS)

Conrath, Barney J.; Gierasch, Peter J.; Leroy, Stephen S.

1989-01-01

A zonally symmetric, linear radiative-dynamical model is compared with observations of the upper tropospheres and stratospheres of the outer planets. Seasonal variation is included in the model. Friction is parameterized by linear drag (Rayleigh friction). Gas opacities are accounted for but aerosols are omitted. Horizontal temperature gradients are small on all the planets. Seasonal effects are strongest on Saturn and Neptune but are weak even in these cases, because the latitudinal gradient of radiative heating is weak. Seasonal effects on Uranus are extremely weak because the radiative time constant is longer that the orbital period. One free parameter in the model is the frictional time constant. Comparison with observed temperature perturbations over zonal currents in the troposphere shows that the frictional time constant is on the same order as the radiative time constant for all these objects. Vertical motions predicted by the model are extremely weak. They are much smaller than one scale height per orbital period, except in the immediate neighborhood of tropospheric and zonal currents.

Compact All-Fiber Optical Faraday Components Using 65-wt%-Terbium-Doped Fiber with a Record Verdet Constant of -32 rad/(Tm)

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

Sun, L.; Jiang, S.; Maricante, J.R.

2010-06-04

A compact all-fiber Faraday isolator and a Faraday mirror are demonstrated. At the core of each of these components is an all-fiber Faraday rotator made of a 4-cm-long, 65-wt%-terbium–doped silicate fiber. The effective Verdet constant of the terbium-doped fiber is measured to be –32 rad/(Tm), which is 27 × larger than that of silica fiber. This effective Verdet constant is the largest value measured to date in any fiber and is 83% of the Verdet constant of commercially available crystal used in bulk optics–based isolators. Combining the all-fiber Faraday rotator with fiber polarizers results in a fully fusion spliced all-fibermore » isolator whose isolation is measured to be 19 dB. Combining the all-fiber Faraday rotator with a fiber Bragg grating results in an all-fiber Faraday mirror that rotates the polarization state of the reflected light by 88 ± 4°.« less

Compact all-fiber optical Faraday components using 65-wt%-terbium-doped fiber with a record Verdet constant of -32 rad/(Tm).

PubMed

Sun, L; Jiang, S; Marciante, J R

2010-06-07

A compact all-fiber Faraday isolator and a Faraday mirror are demonstrated. At the core of each of these components is an all-fiber Faraday rotator made of a 4-cm-long, 65-wt%-terbium-doped silicate fiber. The effective Verdet constant of the terbium-doped fiber is measured to be -32 rad/(Tm), which is 27 x larger than that of silica fiber. This effective Verdet constant is the largest value measured to date in any fiber and is 83% of the Verdet constant of commercially available crystal used in bulk optics-based isolators. Combining the all-fiber Faraday rotator with fiber polarizers results in a fully fusion spliced all-fiber isolator whose isolation is measured to be 19 dB. Combining the all-fiber Faraday rotator with a fiber Bragg grating results in an all-fiber Faraday mirror that rotates the polarization state of the reflected light by 88 +/- 4 degrees .

Magnitude of finite-nucleus-size effects in relativistic density functional computations of indirect NMR nuclear spin-spin coupling constants.

PubMed

Autschbach, Jochen

2009-09-14

A spherical Gaussian nuclear charge distribution model has been implemented for spin-free (scalar) and two-component (spin-orbit) relativistic density functional calculations of indirect NMR nuclear spin-spin coupling (J-coupling) constants. The finite nuclear volume effects on the hyperfine integrals are quite pronounced and as a consequence they noticeably alter coupling constants involving heavy NMR nuclei such as W, Pt, Hg, Tl, and Pb. Typically, the isotropic J-couplings are reduced in magnitude by about 10 to 15 % for couplings between one of the heaviest NMR nuclei and a light atomic ligand, and even more so for couplings between two heavy atoms. For a subset of the systems studied, viz. the Hg atom, Hg(2) (2+), and Tl--X where X=Br, I, the basis set convergence of the hyperfine integrals and the coupling constants was monitored. For the Hg atom, numerical and basis set calculations of the electron density and the 1s and 6s orbital hyperfine integrals are directly compared. The coupling anisotropies of TlBr and TlI increase by about 2 % due to finite-nucleus effects.

Transverse relaxation in the rotating frame induced by chemical exchange.

PubMed

Michaeli, Shalom; Sorce, Dennis J; Idiyatullin, Djaudat; Ugurbil, Kamil; Garwood, Michael

2004-08-01

In the presence of radiofrequency irradiation, relaxation of magnetization aligned with the effective magnetic field is characterized by the time constant T1rho. On the other hand, the time constant T2rho characterizes the relaxation of magnetization that is perpendicular to the effective field. Here, it is shown that T2rho can be measured directly with Carr-Purcell sequences composed of a train of adiabatic full-passage (AFP) pulses. During adiabatic rotation, T2rho characterizes the relaxation of the magnetization, which under adiabatic conditions remains approximately perpendicular to the time-dependent effective field. Theory is derived to describe the influence of chemical exchange on T2rho relaxation in the fast-exchange regime, with time constant defined as T2rho,ex. The derived theory predicts the rate constant R2rho,ex (= 1/T2rho,ex) to be dependent on the choice of amplitude- and frequency-modulation functions used in the AFP pulses. Measurements of R2rho,ex of the water/ethanol exchanging system confirm the predicted dependence on modulation functions. The described theoretical framework and adiabatic methods represent new tools to probe exchanging systems. Copyright 2004 Elsevier Inc.

Effective constitutive relations for large repetitive frame-like structures

NASA Technical Reports Server (NTRS)

Nayfeh, A. H.; Hefzy, M. S.

1981-01-01

Effective mechanical properties for large repetitive framelike structures are derived using combinations of strength of material and orthogonal transformation techniques. Symmetry considerations are used in order to identify independent property constants. The actual values of these constants are constructed according to a building block format which is carried out in the three consecutive steps: (1) all basic planar lattices are identified; (2) effective continuum properties are derived for each of these planar basic grids using matrix structural analysis methods; and (3) orthogonal transformations are used to determine the contribution of each basic set to the overall effective continuum properties of the structure.

Rotational Spectra and Nuclear Quadrupole Coupling Constants of Iodoimidazoles

NASA Astrophysics Data System (ADS)

Cooper, Graham A.; Anderson, Cara J.; Medcraft, Chris; Legon, Anthony; Walker, Nick

2017-06-01

The microwave spectra of two isomers of iodoimidazole have been recorded and assigned with resolution of their nuclear quadrupole coupling constants. These constants have been analysed in terms of the conjugation between the lone pairs on the iodine atom and the aromatic π-bonding system, and the effect of this conjugation on the distribution of π-electron density in the ring. A comparison of these properties has been made between iodoimidazole and other 5- and 6-membered aromatic rings bonded to halogen atoms.

A kinetic study of jack-bean urease denaturation by a new dithiocarbamate bismuth compound

NASA Astrophysics Data System (ADS)

Menezes, D. C.; Borges, E.; Torres, M. F.; Braga, J. P.

2012-10-01

A kinetic study concerning enzymatic inhibitory effect of a new bismuth dithiocarbamate complex on jack-bean urease is reported. A neural network approach is used to solve the ill-posed inverse problem arising from numerical treatment of the subject. A reaction mechanism for the urease denaturation process is proposed and the rate constants, relaxation time constants, equilibrium constants, activation Gibbs free energies for each reaction step and Gibbs free energies for the transition species are determined.

Degravitation of the cosmological constant in bigravity

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

Platscher, Moritz; Smirnov, Juri, E-mail: moritz.platscher@mpi-hd.mpg.de, E-mail: juri.smirnov@mpi-hd.mpg.de

2017-03-01

In this article the phenomenon of degravitation of the cosmological constant is studied in the framework of bigravity. It is demonstrated that despite a sizable value of the cosmological constant its gravitational effect can be only mild. The bigravity framework is chosen for this demonstration as it leads to a consistent, ghost-free theory of massive gravity. We show that degravitation takes place in the limit where the physical graviton is dominantly a gauge invariant metric combination. We present and discuss several phenomenological consequences expected in this regime.

Effect of Bi doping on morphotropic phase boundary and dielectric properties of PZT

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

Joshi, Shraddha; Acharya, Smita, E-mail: saha275@yahoo.com

2016-05-23

In our present attempt, Pb{sub (1-x)}Bi{sub x}Zr{sub 0.52}Ti{sub 0.48}O{sub 3} [PBZT] {where x = 0, 0.05, 0.1} is synthesized by sol-gel route. Effect of Bi addition on structure, sinterability and dielectric properties are observed. The presence of morphotropic phase boundary (coexistence of tetragonal and rhombohedral symmetry) is confirmed by X-ray diffraction. Enhancement of sinterability after Bi doping is observed through a systematic sintering program. Frequency and temperature dependent dielectric constant are studied. Bi doping in PZT is found to enhance room temperature dielectric constant. However, at high temperature the dielectric constant of pure PZT is more than that of dopedmore » PZT.« less

Influence of a constant and variable magnetic field on the coagulation of human blood in vitro and in vivo

NASA Technical Reports Server (NTRS)

Degen, I. L.; Plaksenko, V. Y.

1974-01-01

The influence of constant and varying magnetic fields on the coagulation of the blood was studied in experiments performed in vitro and vivo. In the in vitro tests it was found that a constant magnetic field with a strength of 100 or 200 oersteds influences the coagulation of the blood, retarding it in some cases and speeding up the coagulation time in others. In the in vivo studies, both retarding and accelerating effects were likewise observed with respect to the coagulation of the blood, but the nature of the change was a function of the background. A normalizing effect of the magnetic field on the coagulation of the blood was observed.

Microgravity Investigation of Capillary Driven Imbibition

NASA Astrophysics Data System (ADS)

Dushin, V. R.; Nikitin, V. F.; Smirnov, N. N.; Skryleva, E. I.; Tyurenkova, V. V.

2018-05-01

The goal of the present paper is to investigate the capillary driven filtration in porous media under microgravity conditions. New mathematical model that allows taking into account the blurring of the front due to the instability of the displacement that is developing at the front is proposed. The constants in the mathematical model were selected on the basis of the experimental data on imbibition into unsaturated porous media under microgravity conditions. The flow under the action of a combination of capillary forces and a constant pressure drop or a constant flux is considered. The effect of capillary forces and the type of wettability of the medium on the displacement process is studied. A criterion in which case the capillary effects are insignificant and can be neglected is established.

Calculation of individual isotope equilibrium constants for implementation in geochemical models

USGS Publications Warehouse

Thorstenson, Donald C.; Parkhurst, David L.

2002-01-01

Theory is derived from the work of Urey to calculate equilibrium constants commonly used in geochemical equilibrium and reaction-transport models for reactions of individual isotopic species. Urey showed that equilibrium constants of isotope exchange reactions for molecules that contain two or more atoms of the same element in equivalent positions are related to isotope fractionation factors by , where is n the number of atoms exchanged. This relation is extended to include species containing multiple isotopes, for example and , and to include the effects of nonideality. The equilibrium constants of the isotope exchange reactions provide a basis for calculating the individual isotope equilibrium constants for the geochemical modeling reactions. The temperature dependence of the individual isotope equilibrium constants can be calculated from the temperature dependence of the fractionation factors. Equilibrium constants are calculated for all species that can be formed from and selected species containing , in the molecules and the ion pairs with where the subscripts g, aq, l, and s refer to gas, aqueous, liquid, and solid, respectively. These equilibrium constants are used in the geochemical model PHREEQC to produce an equilibrium and reaction-transport model that includes these isotopic species. Methods are presented for calculation of the individual isotope equilibrium constants for the asymmetric bicarbonate ion. An example calculates the equilibrium of multiple isotopes among multiple species and phases.

Dipole moment and polarizability of impurity doped quantum dots under anisotropy, spatially-varying effective mass and dielectric screening function: Interplay with noise

NASA Astrophysics Data System (ADS)

Ghosh, Anuja; Ghosh, Manas

2018-01-01

Present work explores the profiles of polarizability (αp) and electric dipole moment (μ) of impurity doped GaAs quantum dot (QD) under the aegis of spatially-varying effective mass, spatially-varying dielectric constant and anisotropy of the system. Presence of noise has also been invoked to examine how its intervention further tunes αp and μ. Noise term maintains a Gaussian white feature and it has been incorporated to the system through two different roadways; additive and multiplicative. The various facets of influence of spatially-varying effective mass, spatially-varying dielectric constant and anisotropy on αp and μ depend quite delicately on presence/absence of noise and also on the mode through which noise has been administered. The outcomes of the study manifest viable routes to harness the dipole moment and polarizability of doped QD system through the interplay between noise, anisotropy and variable effective mass and dielectric constant of the system.

Microstructure and dielectric properties of silver-barium titanate nanocomplex materials by wet chemical approach

NASA Astrophysics Data System (ADS)

Ueno, Shintaro; Sakamoto, Yasunao; Nakashima, Kouichi; Wada, Satoshi

2014-09-01

To develop ceramic capacitors with a high effective dielectric constant, we attempted to fabricate BaTiO3 (BT) complexes with embedded Ag nanoparticles by wet chemical processes. Ag nanoparticle-adsorbed dendritic BT particles, Ag-BT hybrid particles, were synthesized from the sol-gel-derived precursor gel powders containing Ag, Ba, and Ti by hydrothermal treatment. These particles were pressed with BT fillers and TiO2 precursor nanoparticles into green compacts, and then, the green compacts were chemically converted into the Ag/BT nanocomplex compacts in Ba(OH)2 aqueous solution under the hydrothermal condition at 160 °C. The effective dielectric constant of the resultant Ag/BT nanocomplexes increases with an increase in Ag content. The maximal effective dielectric constant of approximately 900 was recorded for the nanocomplex with the Ag content of 10.7 vol %.

Pion decay constant and the {rho}-meson mass at finite temperature in hidden local symmetry

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

Harada, M.; Shibata, A.

1997-06-01

We study the temperature dependence of the pion decay constant and {rho}-meson mass in the hidden local symmetry model at one loop. Using the standard imaginary time formalism, we include the thermal effect of the {rho} meson as well as that of the pion. We show that the pion gives a dominant contribution to the pion decay constant and the {rho}-meson contribution slightly decreases the critical temperature. The {rho}-meson pole mass increases as T{sup 4}/m{sub {rho}}{sup 2} at low temperature, dominated by the pion-loop effect. At high temperature, although the pion-loop effect decreases the {rho}-meson mass, the {rho}-loop contribution overcomesmore » the pion-loop contribution and the {rho}-meson mass increases with temperature. We also show that the conventional parameter a is stable as the temperature increases. {copyright} {ital 1997} {ital The American Physical Society}« less

Some Dynamical Effects of the Cosmological Constant

NASA Astrophysics Data System (ADS)

Axenides, M.; Floratos, E. G.; Perivolaropoulos, L.

Newton's law gets modified in the presence of a cosmological constant by a small repulsive term (antigravity) that is proportional to the distance. Assuming a value of the cosmological constant consistent with the recent SnIa data (Λ~=10-52 m-2), we investigate the significance of this term on various astrophysical scales. We find that on galactic scales or smaller (less than a few tens of kpc), the dynamical effects of the vacuum energy are negligible by several orders of magnitude. On scales of 1 Mpc or larger however we find that the vacuum energy can significantly affect the dynamics. For example we show that the velocity data in the local group of galaxies correspond to galactic masses increased by 35% in the presence of vacuum energy. The effect is even more important on larger low density systems like clusters of galaxies or superclusters.

Effect of randomness on multi-frequency aeroelastic responses resolved by Unsteady Adaptive Stochastic Finite Elements

NASA Astrophysics Data System (ADS)

Witteveen, Jeroen A. S.; Bijl, Hester

2009-10-01

The Unsteady Adaptive Stochastic Finite Elements (UASFE) method resolves the effect of randomness in numerical simulations of single-mode aeroelastic responses with a constant accuracy in time for a constant number of samples. In this paper, the UASFE framework is extended to multi-frequency responses and continuous structures by employing a wavelet decomposition pre-processing step to decompose the sampled multi-frequency signals into single-frequency components. The effect of the randomness on the multi-frequency response is then obtained by summing the results of the UASFE interpolation at constant phase for the different frequency components. Results for multi-frequency responses and continuous structures show a three orders of magnitude reduction of computational costs compared to crude Monte Carlo simulations in a harmonically forced oscillator, a flutter panel problem, and the three-dimensional transonic AGARD 445.6 wing aeroelastic benchmark subject to random fields and random parameters with various probability distributions.

Information dissemination model for social media with constant updates

NASA Astrophysics Data System (ADS)

Zhu, Hui; Wu, Heng; Cao, Jin; Fu, Gang; Li, Hui

2018-07-01

With the development of social media tools and the pervasiveness of smart terminals, social media has become a significant source of information for many individuals. However, false information can spread rapidly, which may result in negative social impacts and serious economic losses. Thus, reducing the unfavorable effects of false information has become an urgent challenge. In this paper, a new competitive model called DMCU is proposed to describe the dissemination of information with constant updates in social media. In the model, we focus on the competitive relationship between the original false information and updated information, and then propose the priority of related information. To more effectively evaluate the effectiveness of the proposed model, data sets containing actual social media activity are utilized in experiments. Simulation results demonstrate that the DMCU model can precisely describe the process of information dissemination with constant updates, and that it can be used to forecast information dissemination trends on social media.

Effect of organic flux on the colossal dielectric constant of CaCu3Ti4O12 (CCTO)

NASA Astrophysics Data System (ADS)

Razdan, Vishnu; Singh, Abhishek; Arnold, Brad; Choa, Fow-Sen; Kelly, Lisa; Singh, N. B.

2015-05-01

We have used low temperature organics to achieve orientation of the grains of Ca2/3Cu3Ti4O12 (CCTO) compound to increase the resistivity. During the past fifteen years CCTO has been studied extensively for its performance as a dielectric capacitor. We have synthesized and grown large grains of pure Ca2/3Cu3Ti4O12 and doped compound, and studied the dielectric constant and resistivity. The grains were aligned by using a naphthalene-camphor eutectic. CCTO was mixed in the organic melt and oriented by the directional solidification method. This material has different characteristics than pure processed CCTO material. The effect of solidification conditions and its effect on the morphology and the dielectric constant, resistivity and loss tan delta of pure and doped CCTO are described in this article.

Aggregate linear properties of ferroelectric ceramics and polycrystalline thin films: Calculation by the method of effective piezoelectric medium

NASA Astrophysics Data System (ADS)

Pertsev, N. A.; Zembilgotov, A. G.; Waser, R.

1998-08-01

The effective dielectric, piezoelectric, and elastic constants of polycrystalline ferroelectric materials are calculated from single-crystal data by an advanced method of effective medium, which takes into account the piezoelectric interactions between grains in full measure. For bulk BaTiO3 and PbTiO3 polarized ceramics, the dependences of material constants on the remanent polarization are reported. Dielectric and elastic constants are computed also for unpolarized c- and a-textured ferroelectric thin films deposited on cubic or amorphous substrates. It is found that the dielectric properties of BaTiO3 and PbTiO3 polycrystalline thin films strongly depend on the type of crystal texture. The influence of two-dimensional clamping by the substrate on the dielectric and piezoelectric responses of polarized films is described quantitatively and shown to be especially important for the piezoelectric charge coefficient of BaTiO3 films.

Effects of constant immigration on the dynamics and persistence of stable and unstable Drosophila populations

PubMed Central

Dey, Snigdhadip; Joshi, Amitabh

2013-01-01

Constant immigration can stabilize population size fluctuations but its effects on extinction remain unexplored. We show that constant immigration significantly reduced extinction in fruitfly populations with relatively stable or unstable dynamics. In unstable populations with oscillations of amplitude around 1.5 times the mean population size, persistence and constancy were unrelated. Low immigration enhanced persistence without affecting constancy whereas high immigration increased constancy without enhancing persistence. In relatively stable populations with erratic fluctuations of amplitude close to the mean population size, both low and high immigration enhanced persistence. In these populations, the amplitude of fluctuations relative to mean population size went down due to immigration, and their dynamics were altered to low-period cycles. The effects of immigration on the population size distribution and intrinsic dynamics of stable versus unstable populations differed considerably, suggesting that the mechanisms by which immigration reduced extinction risk depended on underlying dynamics in complex ways. PMID:23470546

Averaging of elastic constants for polycrystals

DOE PAGES

Blaschke, Daniel N.

2017-10-13

Many materials of interest are polycrystals, i.e., aggregates of single crystals. Randomly distributed orientations of single crystals lead to macroscopically isotropic properties. Here in this paper, we briefly review strategies of calculating effective isotropic second and third order elastic constants from the single crystal ones. Our main emphasis is on single crystals of cubic symmetry. Specifically, the averaging of third order elastic constants has not been particularly successful in the past, and discrepancies have often been attributed to texturing of polycrystals as well as to uncertainties in the measurement of elastic constants of both poly and single crystals. While thismore » may well be true, we also point out here shortcomings in the theoretical averaging framework.« less

Optimal plane change during constant altitude hypersonic flight

NASA Technical Reports Server (NTRS)

Mease, K. D.; Vinh, N. X.; Kuo, S. H.

1988-01-01

Future spacecraft operating in the vicinity of the earth may have resort to the atmosphere as an aid in effecting orbital change. While a previous treatment of this technique chose constant altitude, speed, and angle-of-attack values in order to maximize the plane change for a fixed amount of propellant consumption during hypersonic flight, the former two parameters are presently released from the constraint of constancy. The general characteristics of the optimal controls are described on the basis of the domain of maneuverability, and numerical solutions are obtained for several specific cases. Under the condition of constant-altitude flight, it is generally not optimal to fly at constant angle-of-attack.

Formulas for the elastic constants of plates with integral waffle-like stiffening

NASA Technical Reports Server (NTRS)

Dow, Norris R; Libove, Charles; Hubka, Ralph E

1954-01-01

Formulas are derived for the fifteen elastic constants associated with bending, stretching, twisting, and shearing of plates with closely spaced integral ribbing in a variety of configurations and proportions. In the derivation the plates are considered, conceptually, as more uniform orthotropic plates somewhat on the order of plywood. The constants, which include the effectiveness of the ribs for resisting deformations other than bending and stretching in their longitudinal directions, are defined in terms of four coefficients, and theoretical and experimental methods for the evaluation of these coefficients are discussed. Four of the more important elastic constants are predicted by these formulas and are compared with test results. Good correlation is obtained. (author)

The effect of solvent relaxation time constants on free energy gap law for ultrafast charge recombination following photoinduced charge separation.

PubMed

Mikhailova, Valentina A; Malykhin, Roman E; Ivanov, Anatoly I

2018-05-16

To elucidate the regularities inherent in the kinetics of ultrafast charge recombination following photoinduced charge separation in donor-acceptor dyads in solutions, the simulations of the kinetics have been performed within the stochastic multichannel point-transition model. Increasing the solvent relaxation time scales has been shown to strongly vary the dependence of the charge recombination rate constant on the free energy gap. In slow relaxing solvents the non-equilibrium charge recombination occurring in parallel with solvent relaxation is very effective so that the charge recombination terminates at the non-equilibrium stage. This results in a crucial difference between the free energy gap laws for the ultrafast charge recombination and the thermal charge transfer. For the thermal reactions the well-known Marcus bell-shaped dependence of the rate constant on the free energy gap is realized while for the ultrafast charge recombination only a descending branch is predicted in the whole area of the free energy gap exceeding 0.2 eV. From the available experimental data on the population kinetics of the second and first excited states for a series of Zn-porphyrin-imide dyads in toluene and tetrahydrofuran solutions, an effective rate constant of the charge recombination into the first excited state has been calculated. The obtained rate constant being very high is nearly invariable in the area of the charge recombination free energy gap from 0.2 to 0.6 eV that supports the theoretical prediction.

Experimental Beetle Metapopulations Respond Positively to Dynamic Landscapes and Reduced Connectivity

PubMed Central

Govindan, Byju N.; Swihart, Robert K.

2012-01-01

Interactive effects of multiple environmental factors on metapopulation dynamics have received scant attention. We designed a laboratory study to test hypotheses regarding interactive effects of factors affecting the metapopulation dynamics of red flour beetle, Tribolium castaneum. Within a four-patch landscape we modified resource level (constant and diminishing), patch connectivity (high and low) and patch configuration (static and dynamic) to conduct a 23 factorial experiment, consisting of 8 metapopulations, each with 3 replicates. For comparison, two control populations consisting of isolated and static subpopulations were provided with resources at constant or diminishing levels. Longitudinal data from 22 tri-weekly counts of beetle abundance were analyzed using Bayesian Poisson generalized linear mixed models to estimate additive and interactive effects of factors affecting abundance. Constant resource levels, low connectivity and dynamic patches yielded greater levels of adult beetle abundance. For a given resource level, frequency of colonization exceeded extinction in landscapes with dynamic patches when connectivity was low, thereby promoting greater patch occupancy. Negative density dependence of pupae on adults occurred and was stronger in landscapes with low connectivity and constant resources; these metapopulations also demonstrated greatest stability. Metapopulations in control landscapes went extinct quickly, denoting lower persistence than comparable landscapes with low connectivity. When landscape carrying capacity was constant, habitat destruction coupled with low connectivity created asynchronous local dynamics and refugia within which cannibalism of pupae was reduced. Increasing connectivity may be counter-productive and habitat destruction/recreation may be beneficial to species in some contexts. PMID:22509314

Free energy perturbation method for measuring elastic constants of liquid crystals

NASA Astrophysics Data System (ADS)

Joshi, Abhijeet

There is considerable interest in designing liquid crystals capable of yielding specific morphological responses in confined environments, including capillaries and droplets. The morphology of a liquid crystal is largely dictated by the elastic constants, which are difficult to measure and are only available for a handful of substances. In this work, a first-principles based method is proposed to calculate the Frank elastic constants of nematic liquid crystals directly from atomistic models. These include the standard splay, twist and bend deformations, and the often-ignored but important saddle-splay constant. The proposed method is validated using a well-studied Gay-Berne(3,5,2,1) model; we examine the effects of temperature and system size on the elastic constants in the nematic and smectic phases. We find that our measurements of splay, twist, and bend elastic constants are consistent with previous estimates for the nematic phase. We further outline the implementation of our approach for the saddle-splay elastic constant, and find it to have a value at the limits of the Ericksen inequalities. We then proceed to report results for the elastic constants commonly known liquid crystals namely 4-pentyl-4'-cynobiphenyl (5CB) using atomistic model, and show that the values predicted by our approach are consistent with a subset of the available but limited experimental literature.

Modeling and experiments for the time-dependent diffusion coefficient during methane desorption from coal

NASA Astrophysics Data System (ADS)

Cheng-Wu, Li; Hong-Lai, Xue; Cheng, Guan; Wen-biao, Liu

2018-04-01

Statistical analysis shows that in the coal matrix, the diffusion coefficient for methane is time-varying, and its integral satisfies the formula μt κ /(1 + β κ ). Therefore, a so-called dynamic diffusion coefficient model (DDC model) is developed. To verify the suitability and accuracy of the DDC model, a series of gas diffusion experiments were conducted using coal particles of different sizes. The results show that the experimental data can be accurately described by the DDC and bidisperse models, but the fit to the DDC model is slightly better. For all coal samples, as time increases, the effective diffusion coefficient first shows a sudden drop, followed by a gradual decrease before stabilizing at longer times. The effective diffusion coefficient has a negative relationship with the size of the coal particle. Finally, the relationship between the constants of the DDC model and the effective diffusion coefficient is discussed. The constant α (μ/R 2 ) denotes the effective coefficient at the initial time, and the constants κ and β control the attenuation characteristic of the effective diffusion coefficient.

Effects of constant and cyclical thermal regimes on growth and feeding of juvenile cutthroat trout of variable sizes

USGS Publications Warehouse

Meeuwig, M.H.; Dunham, J.B.; Hayes, J.P.; Vinyard, G.L.

2004-01-01

The effects of constant (12, 18, and 24 A?C) and cyclical (daily variation of 15a??21 and 12a??24 A?C) thermal regimes on the growth and feeding of Lahontan cutthroat trout (Oncorhynchus clarki henshawi) of variable sizes were examined. Higher constant temperatures (i.e., 24 A?C) and more variable daily temperatures (i.e., 12a??24 A?C daily cycle) negatively affected growth rates. As fish mass increased (from 0.24 to 15.52 g) the effects of different thermal regimes on mass growth became more pronounced. Following 14 days exposure to the thermal regimes, feeding rates of individual fish were assessed during acute exposure (40 min) to test temperatures of 12, 18, and 24 A?C. Feeding rate was depressed during acute exposure to 24 A?C, but was not significantly affected by the preceding thermal regime. Our results indicate that even brief daily exposure to higher temperatures (e.g., 24 A?C) can have considerable sublethal effects on cutthroat trout, and that fish size should be considered when examining the effects of temperature.

A critical re-evaluation of the regression model specification in the US D1 EQ-5D value function

PubMed Central

2012-01-01

Background The EQ-5D is a generic health-related quality of life instrument (five dimensions with three levels, 243 health states), used extensively in cost-utility/cost-effectiveness analyses. EQ-5D health states are assigned values on a scale anchored in perfect health (1) and death (0). The dominant procedure for defining values for EQ-5D health states involves regression modeling. These regression models have typically included a constant term, interpreted as the utility loss associated with any movement away from perfect health. The authors of the United States EQ-5D valuation study replaced this constant with a variable, D1, which corresponds to the number of impaired dimensions beyond the first. The aim of this study was to illustrate how the use of the D1 variable in place of a constant is problematic. Methods We compared the original D1 regression model with a mathematically equivalent model with a constant term. Comparisons included implications for the magnitude and statistical significance of the coefficients, multicollinearity (variance inflation factors, or VIFs), number of calculation steps needed to determine tariff values, and consequences for tariff interpretation. Results Using the D1 variable in place of a constant shifted all dummy variable coefficients away from zero by the value of the constant, greatly increased the multicollinearity of the model (maximum VIF of 113.2 vs. 21.2), and increased the mean number of calculation steps required to determine health state values. Discussion Using the D1 variable in place of a constant constitutes an unnecessary complication of the model, obscures the fact that at least two of the main effect dummy variables are statistically nonsignificant, and complicates and biases interpretation of the tariff algorithm. PMID:22244261

A critical re-evaluation of the regression model specification in the US D1 EQ-5D value function.

PubMed

Rand-Hendriksen, Kim; Augestad, Liv A; Dahl, Fredrik A

2012-01-13

The EQ-5D is a generic health-related quality of life instrument (five dimensions with three levels, 243 health states), used extensively in cost-utility/cost-effectiveness analyses. EQ-5D health states are assigned values on a scale anchored in perfect health (1) and death (0).The dominant procedure for defining values for EQ-5D health states involves regression modeling. These regression models have typically included a constant term, interpreted as the utility loss associated with any movement away from perfect health. The authors of the United States EQ-5D valuation study replaced this constant with a variable, D1, which corresponds to the number of impaired dimensions beyond the first. The aim of this study was to illustrate how the use of the D1 variable in place of a constant is problematic. We compared the original D1 regression model with a mathematically equivalent model with a constant term. Comparisons included implications for the magnitude and statistical significance of the coefficients, multicollinearity (variance inflation factors, or VIFs), number of calculation steps needed to determine tariff values, and consequences for tariff interpretation. Using the D1 variable in place of a constant shifted all dummy variable coefficients away from zero by the value of the constant, greatly increased the multicollinearity of the model (maximum VIF of 113.2 vs. 21.2), and increased the mean number of calculation steps required to determine health state values. Using the D1 variable in place of a constant constitutes an unnecessary complication of the model, obscures the fact that at least two of the main effect dummy variables are statistically nonsignificant, and complicates and biases interpretation of the tariff algorithm.

Automatic Exposure Control Systems Designed to Maintain Constant Image Noise: Effects on Computed Tomography Dose and Noise Relative to Clinically Accepted Technique Charts

PubMed Central

Favazza, Christopher P.; Yu, Lifeng; Leng, Shuai; Kofler, James M.; McCollough, Cynthia H.

2015-01-01

Objective To compare computed tomography dose and noise arising from use of an automatic exposure control (AEC) system designed to maintain constant image noise as patient size varies with clinically accepted technique charts and AEC systems designed to vary image noise. Materials and Methods A model was developed to describe tube current modulation as a function of patient thickness. Relative dose and noise values were calculated as patient width varied for AEC settings designed to yield constant or variable noise levels and were compared to empirically derived values used by our clinical practice. Phantom experiments were performed in which tube current was measured as a function of thickness using a constant-noise-based AEC system and the results were compared with clinical technique charts. Results For 12-, 20-, 28-, 44-, and 50-cm patient widths, the requirement of constant noise across patient size yielded relative doses of 5%, 14%, 38%, 260%, and 549% and relative noises of 435%, 267%, 163%, 61%, and 42%, respectively, as compared with our clinically used technique chart settings at each respective width. Experimental measurements showed that a constant noise–based AEC system yielded 175% relative noise for a 30-cm phantom and 206% relative dose for a 40-cm phantom compared with our clinical technique chart. Conclusions Automatic exposure control systems that prescribe constant noise as patient size varies can yield excessive noise in small patients and excessive dose in obese patients compared with clinically accepted technique charts. Use of noise-level technique charts and tube current limits can mitigate these effects. PMID:25938214

Effect of dissolved organic matter on pre-equilibrium passive sampling: A predictive QSAR modeling study.

PubMed

Lin, Wei; Jiang, Ruifen; Shen, Yong; Xiong, Yaxin; Hu, Sizi; Xu, Jianqiao; Ouyang, Gangfeng

2018-04-13

Pre-equilibrium passive sampling is a simple and promising technique for studying sampling kinetics, which is crucial to determine the distribution, transfer and fate of hydrophobic organic compounds (HOCs) in environmental water and organisms. Environmental water samples contain complex matrices that complicate the traditional calibration process for obtaining the accurate rate constants. This study proposed a QSAR model to predict the sampling rate constants of HOCs (polycyclic aromatic hydrocarbons (PAHs), polychlorinated biphenyls (PCBs) and pesticides) in aqueous systems containing complex matrices. A homemade flow-through system was established to simulate an actual aqueous environment containing dissolved organic matter (DOM) i.e. humic acid (HA) and (2-Hydroxypropyl)-β-cyclodextrin (β-HPCD)), and to obtain the experimental rate constants. Then, a quantitative structure-activity relationship (QSAR) model using Genetic Algorithm-Multiple Linear Regression (GA-MLR) was found to correlate the experimental rate constants to the system state including physicochemical parameters of the HOCs and DOM which were calculated and selected as descriptors by Density Functional Theory (DFT) and Chem 3D. The experimental results showed that the rate constants significantly increased as the concentration of DOM increased, and the enhancement factors of 70-fold and 34-fold were observed for the HOCs in HA and β-HPCD, respectively. The established QSAR model was validated as credible (R Adj. 2 =0.862) and predictable (Q 2 =0.835) in estimating the rate constants of HOCs for complex aqueous sampling, and a probable mechanism was developed by comparison to the reported theoretical study. The present study established a QSAR model of passive sampling rate constants and calibrated the effect of DOM on the sampling kinetics. Copyright © 2018 Elsevier B.V. All rights reserved.

From Lobatto Quadrature to the Euler Constant "e"

ERIC Educational Resources Information Center

Khattri, Sanjay Kumar

2010-01-01

Based on the Lobatto quadrature, we develop several new closed form approximations to the mathematical constant "e." For validating effectiveness of our approximations, a comparison of our results to the existing approximations is also presented. Another objective of our work is to inspire students to formulate other better approximations by using…

Classification of Solvents according to Interaction Mechanisms.

ERIC Educational Resources Information Center

Ahmed, Wasi

1979-01-01

Presented is a model for solvent effects based on the observation that the excitation energy of all-trans-N-Retinylidenmethyl-n-butylammonium iodide is directly related to the dielectric constant of a series of aromatic and aliphatic solvents as the dielectric constant (e) ranges from 2 to 10.5. (BT)

Modeling Heterogeneous Variance-Covariance Components in Two-Level Models

ERIC Educational Resources Information Center

Leckie, George; French, Robert; Charlton, Chris; Browne, William

2014-01-01

Applications of multilevel models to continuous outcomes nearly always assume constant residual variance and constant random effects variances and covariances. However, modeling heterogeneity of variance can prove a useful indicator of model misspecification, and in some educational and behavioral studies, it may even be of direct substantive…

Multi-wavelength spectrophotometric determination of acidity constant of some newly synthesized Schiff bases and their QSPR study

NASA Astrophysics Data System (ADS)

Hemmateenejad, Bahram; Emami, Leila; Sharghi, Hashem

2010-01-01

The acidity constants of some newly synthesized Schiff base derivatives were determined by hard-model based multivariate data analysis of the spectrophotometric data in the course of pH-metric titration in 50% (v/v) methanol-water binary solvent. The employed data analysis method was also able to extract the pure spectra and pH-dependent concentration profiles of the acid-base species. The molecules that possess different substituents (both electron donating and withdrawing) on the ortho-, meta- and para-positions of one of the phenyl ring showed variable acidity constants ranging from 8.77 to 11.07 whereas the parent molecule had an acidity constant of 10.25. To investigate the quantitative effects of changing of substitution pattern on the acidity constant, a quantitative structure-property relation analysis was conducted using substituent constants and molecular descriptor. Some models with high statistical quality (measured by cross-validation Q2) were obtained. It was found that the acidity constant of the studied molecules in the methanol-water mixed solvent not only is affected by electronic features of the solutes but also by the lipophilic interaction between methanol part of solvent and the deprotonated solutes.

Simulating Supercapacitors: Can We Model Electrodes As Constant Charge Surfaces?

PubMed

Merlet, Céline; Péan, Clarisse; Rotenberg, Benjamin; Madden, Paul A; Simon, Patrice; Salanne, Mathieu

2013-01-17

Supercapacitors based on an ionic liquid electrolyte and graphite or nanoporous carbon electrodes are simulated using molecular dynamics. We compare a simplified electrode model in which a constant, uniform charge is assigned to each carbon atom with a realistic model in which a constant potential is applied between the electrodes (the carbon charges are allowed to fluctuate). We show that the simulations performed with the simplified model do not provide a correct description of the properties of the system. First, the structure of the adsorbed electrolyte is partly modified. Second, dramatic differences are observed for the dynamics of the system during transient regimes. In particular, upon application of a constant applied potential difference, the increase in the temperature, due to the Joule effect, associated with the creation of an electric current across the cell follows Ohm's law, while unphysically high temperatures are rapidly observed when constant charges are assigned to each carbon atom.

Effect of material constants on power output in piezoelectric vibration-based generators.

PubMed

Takeda, Hiroaki; Mihara, Kensuke; Yoshimura, Tomohiro; Hoshina, Takuya; Tsurumi, Takaaki

2011-09-01

A possible power output estimation based on material constants in piezoelectric vibration-based generators is proposed. A modified equivalent circuit model of the generator was built and was validated by the measurement results in the generator fabricated using potassium sodium niobate-based and lead zirconate titanate (PZT) ceramics. Subsequently, generators with the same structure using other PZT-based and bismuth-layered structure ferroelectrics ceramics were fabricated and tested. The power outputs of these generators were expressed as a linear functions of the term composed of electromechanical coupling coefficients k(sys)(2) and mechanical quality factors Q*(m) of the generator. The relationship between device constants (k(sys)(2) and Q*(m)) and material constants (k(31)(2) and Q(m)) was clarified. Estimation of the power output using material constants is demonstrated and the appropriate piezoelectric material for the generator is suggested.

Electron-ion dissociative recombination rate constants relevant to the Titan atmosphere and the Interstellar Medium

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

Osborne, David; Lawson, Patrick; Adams, Nigel, E-mail: ngadams@uga.edu

Following the arrival of Cassini at Titan in 2004, the Titan atmosphere has been shown to contain large complex polycyclic-aromatic hydrocarbons. Since Cassini has provided a great deal of data, there exists a need for kinetic rate data to help with modeling this atmosphere. One type of kinetic data needed is electron-ion dissociative recombination (e-IDR) rate constants. These data are not readily available for larger compounds, such as naphthalene, or oxygen containing compounds, such as 1,4 dioxane or furan. Here, the rate constants for naphthalene, 1,4 dioxane, and furan have been measured and their temperature dependencies are determined when possible,more » using the University of Georgia's Variable Temperature Flowing Afterglow. The rate constants are compared with those previously published for other compounds; these show trends which illustrate the effects which multi-rings and oxygen heteroatoms substitutions have upon e-IDR rate constants.« less

Electron-ion dissociative recombination rate constants relevant to the Titan atmosphere and the Interstellar Medium

NASA Astrophysics Data System (ADS)

Osborne, David; Lawson, Patrick; Adams, Nigel

2014-01-01

Following the arrival of Cassini at Titan in 2004, the Titan atmosphere has been shown to contain large complex polycyclic-aromatic hydrocarbons. Since Cassini has provided a great deal of data, there exists a need for kinetic rate data to help with modeling this atmosphere. One type of kinetic data needed is electron-ion dissociative recombination (e-IDR) rate constants. These data are not readily available for larger compounds, such as naphthalene, or oxygen containing compounds, such as 1,4 dioxane or furan. Here, the rate constants for naphthalene, 1,4 dioxane, and furan have been measured and their temperature dependencies are determined when possible, using the University of Georgia's Variable Temperature Flowing Afterglow. The rate constants are compared with those previously published for other compounds; these show trends which illustrate the effects which multi-rings and oxygen heteroatoms substitutions have upon e-IDR rate constants.

Constant load and constant volume response of municipal solid waste in simple shear.

PubMed

Zekkos, Dimitrios; Fei, Xunchang

2017-05-01

Constant load and constant volume simple shear testing was conducted on relatively fresh municipal solid waste (MSW) from two landfills in the United States, one in Michigan and a second in Texas, at respective natural moisture content below field capacity. The results were assessed in terms of two failure strain criteria, at 10% and 30% shear strain, and two interpretations of effective friction angle. Overall, friction angle obtained assuming that the failure plane is horizontal and at 10% shear strain resulted in a conservative estimation of shear strength of MSW. Comparisons between constant volume and constant load simple shear testing results indicated significant differences in the shear response of MSW with the shear resistance in constant volume being lower than the shear resistance in constant load. The majority of specimens were nearly uncompacted during specimen preparation to reproduce the state of MSW in bioreactor landfills or in uncontrolled waste dumps. The specimens had identical percentage of <20mm material but the type of <20mm material was different. The <20mm fraction from Texas was finer and of high plasticity. MSW from Texas was overall weaker in both constant load and constant volume conditions compared to Michigan waste. The results of these tests suggest the possibility of significantly lower shear strength of MSW in bioreactor landfills where waste is placed with low compaction effort and constant volume, i.e., "undrained", conditions may occur. Compacted MSW specimens resulted in shear strength parameters that are higher than uncompacted specimens and closer to values reported in the literature. However, the normalized undrained shear strength in simple shear for uncompacted and compacted MSW was still higher than the normalized undrained shear strength reported in the literature for clayey and silty soils. Copyright © 2016 Elsevier Ltd. All rights reserved.

Differing effects of cyclosporin a on swelling amplitude and time constant of mitochondria from normal and ischemic rat brain.

PubMed

Wu, Li-Ping; Shen, Fang; Lu, Yuan; Bruce, Iain; Xia, Qiang

2005-01-01

The purpose of this study was to investigate the effect of cyclosporin A on swelling amplitude and time constant of mitochondria isolated from normal and ischemic rat brain and to observe the possible role of the mitochondrial ATP-sensitive potassium channel on mitochondrial permeability transition. Mitochondrial swelling was evaluated by spectrophotometry. Cyclosporin A at 0.5 or 1 microM and diazoxide at 30 microM significantly decreased the swelling amplitude and attenuated the reduction of time constant of mitochondria isolated from normal brain mitochondria induced by 200 microM calcium, an effect abolished by atractyloside at 100 microM. However, cyclosporin A at 5 microM did not affect mitochondrial swelling. In mitochondria from ischemic brain, cyclosporin A at 0.5 microM but not 1 microM significantly decreased mitochondrial swelling amplitude and attenuated the reduction of time constant, which was abolished by atractyloside. Diazoxide had an effect similar to cyclosporin A at 0.5 microM, which was blocked by atractyloside or 5-hydroxydecanoate at 100 microM and 200 microM. Compared with mitochondria isolated from normal brain, those from ischemic brain were more sensitive to cyclosporin A. Activation of the mitochondrial ATP-sensitive potassium channel may be one of the mechanisms by which opening of the mitochondrial permeability transition pore is inhibited.

Measurements of VOC adsorption/desorption characteristics of typical interior building materials

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

An, Y.; Zhang, J.S.; Shaw, C.Y.

2000-07-01

The adsorption/desorption of volatile organic compounds (VOCs) on interior building material surfaces (i.e., the sink effect) can affect the VOC concentrations in a building, and thus need to be accounted for an indoor air quality (IAQ) prediction model. In this study, the VOC adsorption/desorption characteristics (sink effect) were measured for four typical interior building materials including carpet, vinyl floor tile, painted drywall, and ceiling tile. The VOCs tested were ethylbenzene, cyclohexanone, 1,4-dichlorobenzene, benzaldehyde, and dodecane. These five VOCs were selected because they are representative of hydrocarbons, aromatics, ketones, aldehydes, and chlorine substituted compounds. The first order reversible adsorption/desorption model wasmore » based on the Langmuir isotherm was used to analyze the data and to determine the equilibrium constant of each VOC-material combination. It was found that the adsorption/desorption equilibrium constant, which is a measure of the sink capacity, increased linearly with the inverse of the VOC vapor pressure. For each compound, the adsorption/desorption equilibrium constant, and the adsorption rate constant differed significantly among the four materials tested. A detailed characterization of the material structure in the micro-scale would improve the understanding and modeling of the sink effect in the future. The results of this study can be used to estimate the impact of sink effect on the VOC concentrations in buildings.« less

Effects of Heterogeneity and Uncertainties in Sources and Initial and Boundary Conditions on Spatiotemporal Variations of Groundwater Levels

NASA Astrophysics Data System (ADS)

Zhang, Y. K.; Liang, X.

2014-12-01

Effects of aquifer heterogeneity and uncertainties in source/sink, and initial and boundary conditions in a groundwater flow model on the spatiotemporal variations of groundwater level, h(x,t), were investigated. Analytical solutions for the variance and covariance of h(x, t) in an unconfined aquifer described by a linearized Boussinesq equation with a white noise source/sink and a random transmissivity field were derived. It was found that in a typical aquifer the error in h(x,t) in early time is mainly caused by the random initial condition and the error reduces as time goes to reach a constant error in later time. The duration during which the effect of the random initial condition is significant may last a few hundred days in most aquifers. The constant error in groundwater in later time is due to the combined effects of the uncertain source/sink and flux boundary: the closer to the flux boundary, the larger the error. The error caused by the uncertain head boundary is limited in a narrow zone near the boundary but it remains more or less constant over time. The effect of the heterogeneity is to increase the variation of groundwater level and the maximum effect occurs close to the constant head boundary because of the linear mean hydraulic gradient. The correlation of groundwater level decreases with temporal interval and spatial distance. In addition, the heterogeneity enhances the correlation of groundwater level, especially at larger time intervals and small spatial distances.

Effects of reactant rotational excitation on H + O2--> OH + O reaction rate constant: quantum wave packet, quasi-classical trajectory and phase space theory calculations.

PubMed

Lin, Shi Ying; Guo, Hua; Lendvay, György; Xie, Daiqian

2009-06-21

We examine the impact of initial rotational excitation on the reactivity of the H + O(2)--> OH + O reaction. Accurate Chebyshev wave packet calculations have been carried out for the upsilon(i) = 0, j(i) = 9 initial state of O(2) and the J = 50 partial wave. In addition, we present Gaussian-weighted quasi-classical trajectory and phase space theory calculations of the integral cross section and thermal rate constant for the title reaction. These theoretical results suggest that the initial rotational excitation significantly enhances reactivity with an amount comparable to the effect of initial vibrational state excitation. The inclusion of internally excited reactants is shown to improve the agreement with experimental rate constant.

A critical examination of the validity of simplified models for radiant heat transfer analysis.

NASA Technical Reports Server (NTRS)

Toor, J. S.; Viskanta, R.

1972-01-01

Examination of the directional effects of the simplified models by comparing the experimental data with the predictions based on simple and more detailed models for the radiation characteristics of surfaces. Analytical results indicate that the constant property diffuse and specular models do not yield the upper and lower bounds on local radiant heat flux. In general, the constant property specular analysis yields higher values of irradiation than the constant property diffuse analysis. A diffuse surface in the enclosure appears to destroy the effect of specularity of the other surfaces. Semigray and gray analyses predict the irradiation reasonably well provided that the directional properties and the specularity of the surfaces are taken into account. The uniform and nonuniform radiosity diffuse models are in satisfactory agreement with each other.

Kinetics of hydrogen peroxide decomposition by catalase: hydroxylic solvent effects.

PubMed

Raducan, Adina; Cantemir, Anca Ruxandra; Puiu, Mihaela; Oancea, Dumitru

2012-11-01

The effect of water-alcohol (methanol, ethanol, propan-1-ol, propan-2-ol, ethane-1,2-diol and propane-1,2,3-triol) binary mixtures on the kinetics of hydrogen peroxide decomposition in the presence of bovine liver catalase is investigated. In all solvents, the activity of catalase is smaller than in water. The results are discussed on the basis of a simple kinetic model. The kinetic constants for product formation through enzyme-substrate complex decomposition and for inactivation of catalase are estimated. The organic solvents are characterized by several physical properties: dielectric constant (D), hydrophobicity (log P), concentration of hydroxyl groups ([OH]), polarizability (α), Kamlet-Taft parameter (β) and Kosower parameter (Z). The relationships between the initial rate, kinetic constants and medium properties are analyzed by linear and multiple linear regression.

21-cm radiation: a new probe of variation in the fine-structure constant.

PubMed

Khatri, Rishi; Wandelt, Benjamin D

2007-03-16

We investigate the effect of variation in the value of the fine-structure constant (alpha) at high redshifts (recombination > z > 30) on the absorption of the cosmic microwave background (CMB) at 21 cm hyperfine transition of the neutral atomic hydrogen. We find that the 21 cm signal is very sensitive to the variations in alpha and it is so far the only probe of the fine-structure constant in this redshift range. A change in the value of alpha by 1% changes the mean brightness temperature decrement of the CMB due to 21 cm absorption by >5% over the redshift range z < 50. There is an effect of similar magnitude on the amplitude of the fluctuations in the brightness temperature. The redshift of maximum absorption also changes by approximately 5%.

Dielectric response of Anderson and pseudogapped insulators

NASA Astrophysics Data System (ADS)

Feigel’man, M. V.; Ivanov, D. A.; Cuevas, E.

2018-05-01

Using a combination of analytic and numerical methods, we study the polarizability of a (non-interacting) Anderson insulator in one-, two-, and three-dimensions and demonstrate that, in a wide range of parameters, it scales proportionally to the square of the localization length, contrary to earlier claims based on the effective-medium approximation. We further analyze the effect of electron–electron interactions on the dielectric constant in quasi-1D, quasi-2D and 3D materials with large localization length, including both Coulomb repulsion and phonon-mediated attraction. The phonon-mediated attraction (in the pseudogapped state on the insulating side of the superconductor-insulator transition) produces a correction to the dielectric constant, which may be detected from a linear response of a dielectric constant to an external magnetic field.

The protective effect of a constant magnetic field. [reduction of molecular cell pathology

NASA Technical Reports Server (NTRS)

Sosunov, A. V.; Tripuzov, A. N.

1974-01-01

The protective effect of a constant magnetic field sharply reduced spontaneous lysis of E. coli cells when subjected to ultraviolet radiation. A protective effect of a CMF was found in a study of tissue cultures of normally growing cells (kidney epithelium) and cancer cells (cells from a cancer of the larynx). The protective effect of a CMF is also seen in a combined exposure of tissue cultures to X-rays and CMF energy (strength of the CMF was 2000 oersteds with a gradient of 500 oersteds/cm). The data obtained are of interest to experimental oncology (development of new methods of treating malignant tumors).

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

Bissa, Shivangi; Naruka, Preeti; Bishnoi, Nidhi

In the present study the dielectric optical response of various nanostructures of ZnO deposited on silica substrate has been studied using Maxwell-Garnett Effective Medium Theory. Using the volume filling factors for different nanostructures of ZnO the effective dielectric constant has been evaluated. The variation of this effective dielectric constant with the frequency of applied signal has been investigated. Moreover, the reflectance of the film, power absorption and variation of refractive index with frequency has been studied. The results obtained show that the quantum confinement effects in ZnO nano-structural films deposited on silica substrate give rise to distinct optical properties makingmore » it an ideal choice for high power THz generation.« less

The Influence of a Presence of a Heavy Atom on (13)C Shielding Constants in Organomercury Compounds and Halogen Derivatives.

PubMed

Wodyński, Artur; Gryff-Keller, Adam; Pecul, Magdalena

2013-04-09

(13)C nuclear magnetic resonance shielding constants have been calculated by means of density functional theory (DFT) for several organomercury compounds and halogen derivatives of aliphatic and aromatic compounds. Relativistic effects have been included through the four-component Dirac-Kohn-Sham (DKS) method, two-component Zeroth Order Regular Approximation (ZORA) DFT, and DFT with scalar effective core potentials (ECPs). The relative shieldings have been analyzed in terms of the position of carbon atoms with respect to the heavy atom and their hybridization. The results have been compared with the experimental values, some newly measured and some found in the literature. The main aim of the calculations has been to evaluate the magnitude of heavy atom effects on the (13)C shielding constants and to check what are the relative contributions of scalar relativistic effects and spin-orbit coupling. Another object has been to compare the DKS and ZORA results and to check how the approximate method of accounting for the heavy-atom-on-light-atom (HALA) relativistic effect by means of scalar effective core potentials on heavy atoms performs in comparison with the more rigorous two- and four-component treatment.

Propagation of elastic wave in nanoporous material with distributed cylindrical nanoholes

NASA Astrophysics Data System (ADS)

Qiang, FangWei; Wei, PeiJun; Liu, XiQiang

2013-08-01

The effective propagation constants of plane longitudinal and shear waves in nanoporous material with random distributed parallel cylindrical nanoholes are studied. The surface elastic theory is used to consider the surface stress effects and to derive the nontraditional boundary condition on the surface of nanoholes. The plane wave expansion method is used to obtain the scattering waves from the single nanohole. The multiple scattering effects are taken into consideration by summing the scattered waves from all scatterers and performing the configuration averaging of random distributed scatterers. The effective propagation constants of coherent waves along with the associated dynamic effective elastic modulus are numerically evaluated. The influences of surface stress are discussed based on the numerical results.

Functionality of bismuth sulfide quantum dots/wires-glass nanocomposite as an optical current sensor with enhanced Verdet constant

NASA Astrophysics Data System (ADS)

Panmand, Rajendra P.; Kumar, Ganapathy; Mahajan, Satish M.; Kulkarni, Milind V.; Amalnerkar, D. P.; Kale, Bharat B.; Gosavi, Suresh. W.

2011-02-01

We report optical studies with magneto-optic properties of Bi2S3 quantum dot/wires-glass nanocomposite. The size of the Q-dot was observed to be in the range 3-15 nm along with 11 nm Q-wires. Optical study clearly demonstrated the size quantization effect with drastic band gap variation with size. Faraday rotation tests on the glass nanocomposites show variation in Verdet constant with Q-dot size. Bi2S3 Q-dot/wires glass nanocomposite demonstrated 190 times enhanced Verdet constant compared to the host glass. Prima facie observations exemplify the significant enhancement in Verdet constant of Q-dot glass nanocomposites and will have potential application in magneto-optical devices.

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.

Repeated action of a constant magnetic field on the blood coagulation system in artificially produced anemia

NASA Technical Reports Server (NTRS)

Zabrodina, L. V.

1974-01-01

Changes are discussed in the coagulatory system of the blood in rabbits under the influence of a constant magnetic field of an intensity of 2500 oersteds against the background of artificially induced anemia. Reversibility of the changes produced and the presence of the adaptational effect are noted. Taking all this into consideration, the changes involving the coagulatory system of the blood which arise under the influence of a constant magnetic field may be considered to have a nerve-reflex nature.

Child-Langmuir law applicability for a cathode sheath description of glow discharge in hydrogen

NASA Astrophysics Data System (ADS)

Lisovskiy, V. A.; Artushenko, K. P.; Yegorenkov, V. D.

2016-08-01

The present paper reveals that the Child-Langmuir law version with the constant ion mobility has to be applied for the cathode sheath description of the glow discharge in hydrogen. Using the analytical model we demonstrate that even in a high electric field the constant mobility law version rather than that for the constant ion mean free path has to hold in the case of impeded charge exchange and the dominant effect of polarization forces on the ion motion through the cathode sheath.

Effect of Red Blood Cell Storage on Cardiac Performance. Improved Myocardial Oxygen Delivery and Function during Constant Flow Coronary Perfusion with Low Oxy-Hemoglobin Affinity Human Red Blood Cells in Normothermic and Hypothermic Rabbit Hearts.

DTIC Science & Technology

1983-02-01

with an isovolumic left ven- tricular balloon. Coronary flow was held constant to simulate the physiolog of coronary atherosclerosis and other...erythrocyte DPG content can potentially benefit patients with coronary atherosclerosis , or other states with a limited coronary vasodilator reserve, who...Coronary flow was held constant to simulate the physiology of coronary atherosclerosis and other conditions of limited coronary vasodilator reserve

The transmembrane gradient of the dielectric constant influences the DPH lifetime distribution.

PubMed

Konopásek, I; Kvasnicka, P; Amler, E; Kotyk, A; Curatola, G

1995-11-06

The fluorescence lifetime distribution of 1,6-diphenyl-1,3,5-hexatriene (DPH) and 1-[4-(trimethylamino)phenyl]-6-phenyl-1,3,5-hexatriene (TMA-DPH) in egg-phosphatidylcholine liposomes was measured in normal and heavy water. The lower dielectric constant (by approximately 12%) of heavy water compared with normal water was employed to provide direct evidence that the drop of the dielectric constant along the membrane normal shifts the centers of the distribution of both DPH and TMA-DPH to higher values and sharpens the widths of the distribution. The profile of the dielectric constant along the membrane normal was not found to be a linear gradient (in contrast to [1]) but a more complex function. Presence of cholesterol in liposomes further shifted the center of the distributions to higher value and sharpened them. In addition, it resulted in a more gradient-like profile of the dielectric constant (i.e. linearization) along the normal of the membrane. The effect of the change of dielectric constant on the membrane proteins is discussed.

Comparison of TID Effects in Space-Like Variable Dose Rates and Constant Dose Rates

NASA Technical Reports Server (NTRS)

Harris, Richard D.; McClure, Steven S.; Rax, Bernard G.; Evans, Robin W.; Jun, Insoo

2008-01-01

The degradation of the LM193 dual voltage comparator has been studied at different TID dose rate profiles, including several different constant dose rates and a variable dose rate that simulates the behavior of a solar flare. A comparison of results following constant dose rate vs. variable dose rates is made to explore how well the constant dose rates used for typical part testing predict the performance during a simulated space-like mission. Testing at a constant dose rate equal to the lowest dose rate seen during the simulated flare provides an extremely conservative estimate of the overall amount of degradation. A constant dose rate equal to the average dose rate is also more conservative than the variable rate. It appears that, for this part, weighting the dose rates by the amount of total dose received at each rate (rather than the amount of time at each dose rate) results in an average rate that produces an amount of degradation that is a reasonable approximation to that received by the variable rate.

Evaluation of uncertainty in the adjustment of fundamental constants

NASA Astrophysics Data System (ADS)

Bodnar, Olha; Elster, Clemens; Fischer, Joachim; Possolo, Antonio; Toman, Blaza

2016-02-01

Combining multiple measurement results for the same quantity is an important task in metrology and in many other areas. Examples include the determination of fundamental constants, the calculation of reference values in interlaboratory comparisons, or the meta-analysis of clinical studies. However, neither the GUM nor its supplements give any guidance for this task. Various approaches are applied such as weighted least-squares in conjunction with the Birge ratio or random effects models. While the former approach, which is based on a location-scale model, is particularly popular in metrology, the latter represents a standard tool used in statistics for meta-analysis. We investigate the reliability and robustness of the location-scale model and the random effects model with particular focus on resulting coverage or credible intervals. The interval estimates are obtained by adopting a Bayesian point of view in conjunction with a non-informative prior that is determined by a currently favored principle for selecting non-informative priors. Both approaches are compared by applying them to simulated data as well as to data for the Planck constant and the Newtonian constant of gravitation. Our results suggest that the proposed Bayesian inference based on the random effects model is more reliable and less sensitive to model misspecifications than the approach based on the location-scale model.

Effects of constant pH and unsteady pH at different free ammonia concentrations on shortcut nitrification for landfill leachate treatment.

PubMed

Zhang, Chaosheng; Zhang, Shaoqing; Zhang, Liqiu; Rong, Hongwei; Zhang, Kefang

2015-04-01

On the basis of achieving shortcut nitrification in a lab-scale SBR, the effects of constant pH and unsteady pH at different free ammonia concentrations on shortcut nitrification for landfill leachate treatment was investigated. The results indicate that under the condition of DO of 0.5 ± 0.2 mg/L and temperature of 30 ± 2 °C, the absolute value of nitrite accumulation increased significantly with the increase in free ammonia (FA) concentration from 5.30 to 48.67 mg/L; however, the nitrite accumulation rate remained almost constant at a constant pH of 8.0 ± 0.1. Ammonia oxidation and the nitrite accumulation become slow with the pH decreased from 8.0 ± 0.1 to 7.5 ± 0.2, and the activities of ammonia-oxidizing bacteria (AOB) and nitrite-oxidizing bacteria (NOB) were severely inhibited when the pH further decreased to 6.5. More importantly, this study confirmed that the pH decrease from 8.0 to 6.5 within a short time exhibited significant negative effect on the ammonia oxidation rather than the FA concentration.

Effects of system net charge and electrostatic truncation on all-atom constant pH molecular dynamics.

PubMed

Chen, Wei; Shen, Jana K

2014-10-15

Constant pH molecular dynamics offers a means to rigorously study the effects of solution pH on dynamical processes. Here, we address two critical questions arising from the most recent developments of the all-atom continuous constant pH molecular dynamics (CpHMD) method: (1) What is the effect of spatial electrostatic truncation on the sampling of protonation states? (2) Is the enforcement of electrical neutrality necessary for constant pH simulations? We first examined how the generalized reaction field and force-shifting schemes modify the electrostatic forces on the titration coordinates. Free energy simulations of model compounds were then carried out to delineate the errors in the deprotonation free energy and salt-bridge stability due to electrostatic truncation and system net charge. Finally, CpHMD titration of a mini-protein HP36 was used to understand the manifestation of the two types of errors in the calculated pK(a) values. The major finding is that enforcing charge neutrality under all pH conditions and at all time via cotitrating ions significantly improves the accuracy of protonation-state sampling. We suggest that such finding is also relevant for simulations with particle mesh Ewald, considering the known artifacts due to charge-compensating background plasma. Copyright © 2014 Wiley Periodicals, Inc.

Effects of system net charge and electrostatic truncation on all-atom constant pH molecular dynamics †

PubMed Central

Chen, Wei; Shen, Jana K.

2014-01-01

Constant pH molecular dynamics offers a means to rigorously study the effects of solution pH on dynamical processes. Here we address two critical questions arising from the most recent developments of the all-atom continuous constant pH molecular dynamics (CpHMD) method: 1) What is the effect of spatial electrostatic truncation on the sampling of protonation states? 2) Is the enforcement of electrical neutrality necessary for constant pH simulations? We first examined how the generalized reaction field and force shifting schemes modify the electrostatic forces on the titration coordinates. Free energy simulations of model compounds were then carried out to delineate the errors in the deprotonation free energy and salt-bridge stability due to electrostatic truncation and system net charge. Finally, CpHMD titration of a mini-protein HP36 was used to understand the manifestation of the two types of errors in the calculated pK a values. The major finding is that enforcing charge neutrality under all pH conditions and at all time via co-titrating ions significantly improves the accuracy of protonation-state sampling. We suggest that such finding is also relevant for simulations with particle-mesh Ewald, considering the known artifacts due to charge-compensating background plasma. PMID:25142416

Improved resolution of single channel dwell times reveals mechanisms of binding, priming, and gating in muscle AChR

PubMed Central

Mukhtasimova, Nuriya; daCosta, Corrie J.B.

2016-01-01

The acetylcholine receptor (AChR) from vertebrate skeletal muscle initiates voluntary movement, and its kinetics of activation are crucial for maintaining the safety margin for neuromuscular transmission. Furthermore, the kinetic mechanism of the muscle AChR serves as an archetype for understanding activation mechanisms of related receptors from the Cys-loop superfamily. Here we record currents through single muscle AChR channels with improved temporal resolution approaching half an order of magnitude over our previous best. A range of concentrations of full and partial agonists are used to elicit currents from human wild-type and gain-of-function mutant AChRs. For each agonist–receptor combination, rate constants are estimated from maximum likelihood analysis using a kinetic scheme comprised of agonist binding, priming, and channel gating steps. The kinetic scheme and rate constants are tested by stochastic simulation, followed by incorporation of the experimental step response, sampling rate, background noise, and filter bandwidth. Analyses of the simulated data confirm all rate constants except those for channel gating, which are overestimated because of the established effect of noise on the briefest dwell times. Estimates of the gating rate constants were obtained through iterative simulation followed by kinetic fitting. The results reveal that the agonist association rate constants are independent of agonist occupancy but depend on receptor state, whereas those for agonist dissociation depend on occupancy but not on state. The priming rate and equilibrium constants increase with successive agonist occupancy, and for a full agonist, the forward rate constant increases more than the equilibrium constant; for a partial agonist, the forward rate and equilibrium constants increase equally. The gating rate and equilibrium constants also increase with successive agonist occupancy, but unlike priming, the equilibrium constants increase more than the forward rate constants. As observed for a full and a partial agonist, the gain-of-function mutation affects the relationship between rate and equilibrium constants for priming but not for channel gating. Thus, resolving brief single channel currents distinguishes priming from gating steps and reveals how the corresponding rate and equilibrium constants depend on agonist occupancy. PMID:27353445

The effects of ground hydrology on climate sensitivity to solar constant variations

NASA Technical Reports Server (NTRS)

Chou, S. H.; Curran, R. J.; Ohring, G.

1979-01-01

The effects of two different evaporation parameterizations on the climate sensitivity to solar constant variations are investigated by using a zonally averaged climate model. The model is based on a two-level quasi-geostrophic zonally averaged annual mean model. One of the evaporation parameterizations tested is a nonlinear formulation with the Bowen ratio determined by the predicted vertical temperature and humidity gradients near the earth's surface. The other is the linear formulation with the Bowen ratio essentially determined by the prescribed linear coefficient.

Effects of Prior Aging on the Creep Response of Carbon Fiber Reinforced PMR-15 Neat Resin at 288 C in an Air Environment

DTIC Science & Technology

2007-06-01

strain versus creep time curves. During creep , stress remains constant, but strain increases. The creep curves of the unaged specimens at 30...recovery period and then levels off and remains nearly constant until the end of the recovery period. The amount of creep strain recovered may...EFFECTS OF PRIOR AGING ON THE CREEP RESPONSE OF CARBON FIBER REINFORCED PMR-15 NEAT RESIN AT 288ºC IN

Effect of a Nonplanar Melt-Solid Interface On Lateral Compositional Distribution During Unidirectional Solidification of a Binary Alloy with a Constant Growth Velocity V. Pt. 1; Theory

NASA Technical Reports Server (NTRS)

Wang, Jai-Ching; Watring, D.; Lehoczky. S. L.; Su, C. H.; Gillies, D.; Szofran, F.; Sha, Y. G.; Sha, Y. G.

1999-01-01

Infrared detected materials, such as Hg(1-x)Cd(x)Te, Hg(1-x)Zn(x)Te have energy gaps almost linearly proportional to their composition. Due to the wide separation of liquidus and solidus curves of their phase diagram, there are compositional segregation in both of the axial and radial directions of these crystals grown in the Bridgman system unidirectionally with constant growth rate. It is important to understand the mechanisms, which affect lateral segregation such that large radially uniform composition crystal can be produced. Following Coriel, etc's treatment, we have developed a theory to study the effect of a curved melt-solid interface shape on lateral composition distribution. The model is considered to be a cylindrical system with azimuthal symmetry and a curved melt-solid interface shape which can be expressed as a linear combination of a series of Bessell's functions. The results show that melt-solid interface shape has a dominant effect on the lateral composition distribution of these systems. For small values of beta, the solute concentration at the melt-solid interface scales linearly with interface shape with a proportional constant of the produce of beta and (1 -k), where beta = VR/D, with V as growth velocity, R as the sample radius, D as the diffusion constant and k as the distribution constant. A detailed theory will be presented. A computer code has been developed and simulations have been performed and compared with experimental results. These will be published in another paper.