Plastic zone size and crack tip opening displacement of a Dugdale crack interacting with a coated circular inclusion

NASA Astrophysics Data System (ADS)

Hoh, H. J.; Xiao, Z. M.; Luo, J.

2010-09-01

An analytical investigation on the plastic zone size of a crack near a coated circular inclusion under three different loading conditions of uniaxial tension, uniform tension and pure shear was carried out. Both the crack and coated circular inclusion are embedded in an infinite matrix, with the crack oriented along the radial direction of the inclusion. In the solution procedure, the crack is simulated as a continuous distribution of edge dislocations. With the Dugdale model of small-scale yielding [J. Mech. Phys. Solids 8 (1960) p. 100], two thin strips of yielded plastic zones are introduced at both crack tips. Using the solution for a coated circular inclusion interacting with a single dislocation as the Green's function, the physical problem is formulated into a set of singular integral equations. Using the method of Erdogan and Gupta [Q. J. Appl. Math. 29 (1972) p. 525] and iterative numerical procedures, the singular integral equations are solved numerically for the plastic zone sizes and crack tip opening displacement.

The dynamic generalization of the Eshelby inclusion problem and its static limit

PubMed Central

2016-01-01

The dynamic generalization of the celebrated Eshelby inclusion with transformation strain is the (subsonically) self-similarly expanding ellipsoidal inclusion starting from the zero dimension. The solution of the governing system of partial differential equations was obtained recently by Ni & Markenscoff (In press. J. Mech. Phys. Solids (doi:10.1016/j.jmps.2016.02.025)) on the basis of the Radon transformation, while here an alternative method is presented. In the self-similarly expanding motion, the Eshelby property of constant constrained strain is valid in the interior domain of the expanding ellipsoid where the particle velocity vanishes (lacuna). The dynamic Eshelby tensor is obtained in integral form. From it, the static Eshelby tensor is obtained by a limiting procedure, as the axes' expansion velocities tend to zero and time to infinity, while their product is equal to the length of the static axis. This makes the Eshelby problem the limit of its dynamic generalization. PMID:27493574

Contact of a spherical probe with a stretched rubber substrate

NASA Astrophysics Data System (ADS)

Frétigny, Christian; Chateauminois, Antoine

2017-07-01

We report on a theoretical and experimental investigation of the normal contact of stretched neo-Hookean substrates with rigid spherical probes. Starting from a published formulation of surface Green's function for incremental displacements on a prestretched, neo-Hookean, substrate [J. Mech. Phys. Solids 56, 2957 (2008), 10.1016/j.jmps.2008.07.002], a model is derived for both adhesive and nonadhesive contacts. The shape of the elliptical contact area together with the contact load and the contact stiffness are predicted as a function of the in-plane stretch ratios λx and λy of the substrate. The validity of this model is assessed by contact experiments carried out using an uniaxally stretched silicone rubber. For stretch ratio below about 1.25, a good agreement is observed between theory and experiments. Above this threshold, some deviations from the theoretical predictions are induced as a result of the departure of the mechanical response of the silicone rubber from the neo-Hokeean description embedded in the model.

A generalized self-consistent polycrystal model for the yield strength of nanocrystalline materials

NASA Astrophysics Data System (ADS)

Jiang, B.; Weng, G. J.

2004-05-01

Inspired by recent molecular dynamic simulations of nanocrystalline solids, a generalized self-consistent polycrystal model is proposed to study the transition of yield strength of polycrystalline metals as the grain size decreases from the traditional coarse grain to the nanometer scale. These atomic simulations revealed that a significant portion of atoms resides in the grain boundaries and the plastic flow of the grain-boundary region is responsible for the unique characteristics displayed by such materials. The proposed model takes each oriented grain and its immediate grain boundary to form a pair, which in turn is embedded in the infinite effective medium with a property representing the orientational average of all these pairs. We make use of the linear comparison composite to determine the nonlinear behavior of the nanocrystalline polycrystal through the concept of secant moduli. To this end an auxiliary problem of Christensen and Lo (J. Mech. Phys. Solids 27 (1979) 315) superimposed on the eigenstrain field of Luo and Weng (Mech. Mater. 6 (1987) 347) is first considered, and then the nonlinear elastoplastic polycrystal problem is addressed. The plastic flow of each grain is calculated from its crystallographic slips, but the plastic behavior of the grain-boundary phase is modeled as that of an amorphous material. The calculated yield stress for Cu is found to follow the classic Hall-Petch relation initially, but as the gain size decreases it begins to depart from it. The yield strength eventually attains a maximum at a critical grain size and then the Hall-Petch slope turns negative in the nano-range. It is also found that, when the Hall-Petch relation is observed, the plastic behavior of the polycrystal is governed by crystallographic slips in the grains, but when the slope is negative it is governed by the grain boundaries. During the transition both grains and grain boundaries contribute competitively.

Dancing drops over vibrating substrates

NASA Astrophysics Data System (ADS)

Borcia, Rodica; Borcia, Ion Dan; Helbig, Markus; Meier, Martin; Egbers, Christoph; Bestehorn, Michael

2017-04-01

We study the motion of a liquid drop on a solid plate simultaneously submitted to horizontal and vertical harmonic vibrations. The investigation is done via a phase field model earlier developed for describing static and dynamic contact angles. The density field is nearly constant in every bulk region (ρ = 1 in the liquid phase, ρ ≈ 0 in the vapor phase) and varies continuously from one phase to the other with a rapid but smooth variation across the interfaces. Complicated explicit boundary conditions along the interface are avoided and captured implicitly by gradient terms of ρ in the hydrodynamic basic equations. The contact angle θ is controlled through the density at the solid substrate ρ S , a free parameter varying between 0 and 1 [R. Borcia, I.D. Borcia, M. Bestehorn, Phys. Rev. E 78, 066307 (2008)]. We emphasize the swaying and the spreading modes, earlier theoretically identified by Benilov and Billingham via a shallow-water model for drops climbing uphill along an inclined plane oscillating vertically [E.S. Benilov, J. Billingham, J. Fluid Mech. 674, 93 (2011)]. The numerical phase field simulations will be completed by experiments. Some ways to prevent the release of the dancing drops along a hydrophobic surface into the gas atmosphere are also discussed in this paper.

Studies of Stirring and Mixing at the Submesoscale in the Ocean: FY2013 Annual Report

DTIC Science & Technology

2013-09-30

uhler, and R. Ferrari. Particle dispersion by random waves in the rotating Boussinesq system . J. Fluid Mech., 670:150-175, 2011. Ferrari, R.. A...We have now run a suite of QG simulations in parallel with Boussinesq Primitive Equation (PE) simulations (using the Diablo code), systematicaly...density fronts. J. Phys. Oceanogr., 40:1222-1242, 2010. Taylor, J., K. S. Smith and R. Ferrari. Submesoscale stirring of tracers in Boussinesq and quasi

Nonlinear Waves in Rods

DTIC Science & Technology

1981-05-01

0 and P > 0 everywhere. This also implies from (17) that Www 1Wuu - Wu w1 > 0 so that necking instabilities have been ruled out (see Antman [12], pp... Antman , "Qualitative Theory of the Ordinary Differential Equa- tions of Nonlinear Elasticity," in Mechanics Today, V. 1, ed. S. Nemat- Nasser...the Propagation of Plastic Strain in a Cylindrical Rod," J. Mech. Phys. Sol., 13, 1965, pp. 55-68. 7. S. S. Antman , The Theory of Rods, Handbuch der

A Numerical Method for Predicting Rayleigh Surface Wave Velocity in Anisotropic Crystals (Postprint)

DTIC Science & Technology

2017-09-05

generalized version of the equations are very difficult to derive, even in symbolic math languages such as Mathematica. As a result, the equations are...formalism, Math . Mech. Solids 9 (1) (2004) 5–15. [8] M. Destrade, The explicit secular equation for surface acoustic waves in monoclinic elastic crystals...Q. J. Mech. Appl. Math . 55 (2) (2002) 297–311. [10] D. Taylor, Surface waves in anisotropic media: the secular equation and its numerical solution

An Analytical Model of Periodic Waves in Shallow Water--Summary.

DTIC Science & Technology

1984-01-01

Petviashvili equation , and is based on a Riemann theta function of genus 2. These bi-periodic waves are direct generalizations of the well-known (simply... Petviashvili (KP; 1970) equation , (ut 6uux + U ) 3uyy -0, (1) is a scaled, dimensionless equation that describes the evolution of long water waves of...Fluid Mech., vol. 92, pp 691-715 Dubrovin, B. A., 1981, Russ. Math. Surveys, vol. 36, pp 11-92 Kadomtsev , B. B. & V. I. Petviashvili , 1970,) Soy. Phys

Double C-NOT attack and counterattack on `Three-step semi-quantum secure direct communication protocol'

NASA Astrophysics Data System (ADS)

Gu, Jun; Lin, Po-hua; Hwang, Tzonelih

2018-07-01

Recently, Zou and Qiu (Sci China Phys Mech Astron 57:1696-1702, 2014) proposed a three-step semi-quantum secure direct communication protocol allowing a classical participant who does not have a quantum register to securely send his/her secret message to a quantum participant. However, this study points out that an eavesdropper can use the double C-NOT attack to obtain the secret message. To solve this problem, a modification is proposed.

Rigorous proof for the nonlocal correlation function in the transverse Ising model with ring frustration.

PubMed

Dong, Jian-Jun; Zheng, Zhen-Yu; Li, Peng

2018-01-01

An unusual correlation function was conjectured by Campostrini et al. [Phys. Rev. E 91, 042123 (2015)PLEEE81539-375510.1103/PhysRevE.91.042123] for the ground state of a transverse Ising chain with geometrical frustration. Later, we provided a rigorous proof for it and demonstrated its nonlocal nature based on an evaluation of a Toeplitz determinant in the thermodynamic limit [J. Stat. Mech. (2016) 11310210.1088/1742-5468/2016/11/113102]. In this paper, we further prove that all the low excited energy states forming the gapless kink phase share the same asymptotic correlation function with the ground state. As a consequence, the thermal correlation function almost remains constant at low temperatures if one assumes a canonical ensemble.

Fluctuations in turbulent Rayleigh-Benard convection: The role of plumes

NASA Astrophysics Data System (ADS)

Lohse, Detlef

2004-03-01

Our unifying theory of turbulent thermal convection (Grossmann and Lohse, J. Fluid Mech. 407, 27 (2000); Phys. Rev. Lett. 86, 3316 (2001); Phys. Rev. E 66, 016305 (2002)) is revisited, stressing the role of the thermal plumes for the thermal dissipation rate and solving a problem on the local distribution of the thermal dissipation rate, which had been addressed by Verzicco and Camussi. We moreover make predictions for temperature and velocity fluctuation as function of Rayleigh and Prandtl number and show that the thermal plumes also play an important role for the fluctuations. We conclude with a list of detailed suggestions for measurements to verify or falsify our present understanding of heat transport and fluctuation in turbulent thermal convection. -- This is joint work with Siegfried Grossmann, Marburg.

On one-dimensional compressible Navier-Stokes equations for a reacting mixture in unbounded domains

NASA Astrophysics Data System (ADS)

Li, Siran

2017-10-01

In this paper we consider the one-dimensional Navier-Stokes system for a heat-conducting, compressible reacting mixture which describes the dynamic combustion of fluids of mixed kinds on unbounded domains. This model has been discussed on bounded domains by Chen (SIAM J Math Anal 23:609-634, 1992) and Chen-Hoff-Trivisa (Arch Ration Mech Anal 166:321-358, 2003), among others, in which the reaction rate function is a discontinuous function obeying the Arrhenius' law of thermodynamics. We prove the global existence of weak solutions to this model on one-dimensional unbounded domains with large initial data in H^1. Moreover, the large-time behaviour of the weak solution is identified. In particular, the uniform-in-time bounds for the temperature and specific volume have been established via energy estimates. For this purpose we utilise techniques developed by Kazhikhov-Shelukhin (cf. Kazhikhov in Siber Math J 23:44-49, 1982; Solonnikov and Kazhikhov in Annu Rev Fluid Mech 13:79-95, 1981) and refined by Jiang (Commun Math Phys 200:181-193, 1999, Proc R Soc Edinb Sect A 132:627-638, 2002), as well as a crucial estimate in the recent work by Li-Liang (Arch Ration Mech Anal 220:1195-1208, 2016). Several new estimates are also established, in order to treat the unbounded domain and the reacting terms.

Mathematical model of Rayleigh-Taylor and Richtmyer-Meshkov instabilities for viscoelastic fluids

NASA Astrophysics Data System (ADS)

Rollin, Bertrand; Andrews, Malcolm J.

2011-04-01

We extended the Goncharov model [V. N. Goncharov, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.88.134502 88, 134502 (2002)] for nonlinear Rayleigh-Taylor instability of perfect fluids to the case of Rivlin-Ericksen viscoelastic fluids [R. S. Rivlin and J. L. Ericksen, Rat. Mech. Anal. 4, 323 (1955)], with surface tension. For Rayleigh-Taylor instability, viscosity, surface tension, and viscoelasticity decrease the exponential growth rate predicted by linear stability analysis. In particular, we find that viscosity and surface tension decrease the terminal bubble velocity, whereas viscoelasticity is found to have no effect. All three properties increase the saturation height of the bubble. In Richmyer-Meshkov instability, the decay of the asymptotic velocity depends on the balance between viscosity and surface tension, and viscoelasticity tends to slow the asymptotic velocity decay.

The energy transfer mechanism of a perturbed solid-body rotation flow in a rotating pipe

NASA Astrophysics Data System (ADS)

Feng, Chunjuan; Liu, Feng; Rusak, Zvi; Wang, Shixiao

2017-04-01

Three-dimensional direct numerical simulations of a solid-body rotation superposed on a uniform axial flow entering a rotating constant-area pipe of finite length are presented. Steady in time profiles of the radial, axial, and circumferential velocities are imposed at the pipe inlet. Convective boundary conditions are imposed at the pipe outlet. The Wang and Rusak (Phys. Fluids 8:1007-1016, 1996. doi: 10.1063/1.86882) axisymmetric instability mechanism is retrieved at certain operational conditions in terms of incoming flow swirl levels and the Reynolds number. However, at other operational conditions there exists a dominant, three-dimensional spiral type of instability mode that is consistent with the linear stability theory of Wang et al. (J. Fluid Mech. 797: 284-321, 2016). The growth of this mode leads to a spiral type of flow roll-up that subsequently nonlinearly saturates on a large amplitude rotating spiral wave. The energy transfer mechanism between the bulk of the flow and the perturbations is studied by the Reynolds-Orr equation. The production or loss of the perturbation kinetic energy is combined of three components: the viscous loss, the convective loss at the pipe outlet, and the gain of energy at the outlet through the work done by the pressure perturbation. The energy transfer in the nonlinear stage is shown to be a natural extension of the linear stage with a nonlinear saturated process.

Imploding spherical and cylindrical shocks

NASA Astrophysics Data System (ADS)

Yousaf, M.

1986-03-01

In this paper it is shown that the value of the similarity exponent α derived analytically by Fujimoto and Mishkin [J. Fluid Mech. 89, 61 (1978); Phys. Fluids 21, 1933 (1978)] is exactly the same as that found by Stanyukovich [Unsteady Motion of Continuous Media, (Academic, New York, 1960)]. Since the result found by Stanyukovich is an approximation to α, Fujimoto and Mishkin's claim to have an exact expression of α is false. The two methods are outlined and Stanyukovich's result is simplified to show its equivalence to the work of Fujimoto and Mishkin.

Two-Phase Solid/Fluid Simulation of Dense Granular Flows With Dilatancy Effects

NASA Astrophysics Data System (ADS)

Mangeney, A.; Bouchut, F.; Fernández-Nieto, E. D.; Kone, E. H.; Narbona-Reina, G.

2016-12-01

Describing grain/fluid interaction in debris flows models is still an open and challenging issue with key impact on hazard assessment [1]. We present here a two-phase two-thin-layer model for fluidized debris flows that takes into account dilatancy effects. It describes the velocity of both the solid and the fluid phases, the compression/ dilatation of the granular media and its interaction with the pore fluid pressure [2]. The model is derived from a 3D two-phase model proposed by Jackson [3] and the mixture equations are closed by a weak compressibility relation. This relation implies that the occurrence of dilation or contraction of the granular material in the model depends on whether the solid volume fraction is respectively higher or lower than a critical value. When dilation occurs, the fluid is sucked into the granular material, the pore pressure decreases and the friction force on the granular phase increases. On the contrary, in the case of contraction, the fluid is expelled from the mixture, the pore pressure increases and the friction force diminishes. To account for this transfer of fluid into and out of the mixture, a two-layer model is proposed with a fluid or a solid layer on top of the two-phase mixture layer. Mass and momentum conservation are satisfied for the two phases, and mass and momentum are transferred between the two layers. A thin-layer approximation is used to derive average equations. Special attention is paid to the drag friction terms that are responsible for the transfer of momentum between the two phases and for the appearance of an excess pore pressure with respect to the hydrostatic pressure. By comparing quantitatively the results of simulation and laboratory experiments on submerged granular flows, we show that our model contains the basic ingredients making it possible to reproduce the interaction between the granular and fluid phases through the change in pore fluid pressure. In particular, we analyse the different time scales in the model and their role in granular/fluid flow dynamics. References[1] R. Delannay, A. Valance, A. Mangeney, O. Roche, P. Richard, J. Phys. D: Appl. Phys., in press (2016). [2] F. Bouchut, E. D. Fernández-Nieto, A. Mangeney, G. Narbona-Reina, J. Fluid Mech., 801, 166-221 (2016). [3] R. Jackson, Cambridges Monographs on Mechanics (2000).

Orbiting pairs of walking droplets: Dynamics and stability

NASA Astrophysics Data System (ADS)

Oza, Anand U.; Siéfert, Emmanuel; Harris, Daniel M.; Moláček, Jan; Bush, John W. M.

2017-05-01

A decade ago, Couder and Fort [Phys. Rev. Lett. 97, 154101 (2006)], 10.1103/PhysRevLett.97.154101 discovered that a millimetric droplet sustained on the surface of a vibrating fluid bath may self-propel through a resonant interaction with its own wave field. We here present the results of a combined experimental and theoretical investigation of the interactions of such walking droplets. Specifically, we delimit experimentally the different regimes for an orbiting pair of identical walkers and extend the theoretical model of Oza et al. [J. Fluid Mech. 737, 552 (2013)], 10.1017/jfm.2013.581 in order to rationalize our observations. A quantitative comparison between experiment and theory highlights the importance of spatial damping of the wave field. Our results also indicate that walkers adapt their impact phase according to the local wave height, an effect that stabilizes orbiting bound states.

Reynolds numbers and the elliptic approximation near the ultimate state of turbulent Rayleigh-Bénard convection

NASA Astrophysics Data System (ADS)

He, Xiaozhou; van Gils, Dennis P. M.; Bodenschatz, Eberhard; Ahlers, Guenter

2015-06-01

We report results of Reynolds-number measurements, based on multi-point temperature measurements and the elliptic approximation (EA) of He and Zhang (2006 Phys. Rev. E 73 055303), Zhao and He (2009 Phys. Rev. E 79 046316) for turbulent Rayleigh-Bénard convection (RBC) over the Rayleigh-number range {10}11≲ {\\text{}}{Ra}≲ 2× {10}14 and for a Prandtl number Pr ≃ 0.8. The sample was a right-circular cylinder with the diameter D and the height L both equal to 112 cm. The Reynolds numbers ReU and ReV were obtained from the mean-flow velocity U and the root-mean-square fluctuation velocity V, respectively. Both were measured approximately at the mid-height of the sample and near (but not too near) the side wall close to a maximum of ReU. A detailed examination, based on several experimental tests, of the applicability of the EA to turbulent RBC in our parameter range is provided. The main contribution to ReU came from a large-scale circulation in the form of a single convection roll with the preferred azimuthal orientation of its down flow nearly coinciding with the location of the measurement probes. First we measured time sequences of ReU(t) and ReV(t) from short (10 s) segments which moved along much longer sequences of many hours. The corresponding probability distributions of ReU(t) and ReV(t) had single peaks and thus did not reveal significant flow reversals. The two averaged Reynolds numbers determined from the entire data sequences were of comparable size. For {\\text{}}{Ra}\\lt {\\text{}}{{Ra}}1*≃ 2× {10}13 both ReU and ReV could be described by a power-law dependence on Ra with an exponent ζ close to 0.44. This exponent is consistent with several other measurements for the classical RBC state at smaller Ra and larger Pr and with the Grossmann-Lohse (GL) prediction for ReU (Grossmann and Lohse 2000 J. Fluid. Mech. 407 27; Grossmann and Lohse 2001 86 3316; Grossmann and Lohse 2002 66 016305) but disagrees with the prediction \\zeta ≃ 0.33 by GL (Grossmann and Lohse 2004 Phys. Fluids 16 4462) for ReV. At {\\text{}}{Ra}={\\text{}}{{Ra}}2*≃ 7× {10}13 the dependence of ReV on Ra changed, and for larger Ra {\\text{}}{{Re}}V˜ {\\text{}}{{Ra}}0.50+/- 0.02, consistent with the prediction for ReU (Grossmann and Lohse 2000 J. Fluid. Mech. 407 27; Grossmann and Lohse Phys. Rev. Lett. 2001 86 3316; Grossmann and Lohse Phys. Rev. E 2002 66 016305; Grossmann and Lohse 2012 Phys. Fluids 24 125103) in the ultimate state of RBC.

Temperature-dependent stability of stacking faults in Al, Cu and Ni: first-principles analysis.

PubMed

Bhogra, Meha; Ramamurty, U; Waghmare, Umesh V

2014-09-24

We present comparative analysis of microscopic mechanisms relevant to plastic deformation of the face-centered cubic (FCC) metals Al, Cu, and Ni, through determination of the temperature-dependent free energies of intrinsic and unstable stacking faults along [1 1̄ 0] and [1 2̄ 1] on the (1 1 1) plane using first-principles density-functional-theory-based calculations. We show that vibrational contribution results in significant decrease in the free energy of barriers and intrinsic stacking faults (ISFs) of Al, Cu, and Ni with temperature, confirming an important role of thermal fluctuations in the stability of stacking faults (SFs) and deformation at elevated temperatures. In contrast to Al and Ni, the vibrational spectrum of the unstable stacking fault (USF[1 2̄ 1]) in Cu reveals structural instabilities, indicating that the energy barrier (γusf) along the (1 1 1)[1 2̄ 1] slip system in Cu, determined by typical first-principles calculations, is an overestimate, and its commonly used interpretation as the energy release rate needed for dislocation nucleation, as proposed by Rice (1992 J. Mech. Phys. Solids 40 239), should be taken with caution.

Adaptive multi-time-domain subcycling for crystal plasticity FE modeling of discrete twin evolution

NASA Astrophysics Data System (ADS)

Ghosh, Somnath; Cheng, Jiahao

2018-02-01

Crystal plasticity finite element (CPFE) models that accounts for discrete micro-twin nucleation-propagation have been recently developed for studying complex deformation behavior of hexagonal close-packed (HCP) materials (Cheng and Ghosh in Int J Plast 67:148-170, 2015, J Mech Phys Solids 99:512-538, 2016). A major difficulty with conducting high fidelity, image-based CPFE simulations of polycrystalline microstructures with explicit twin formation is the prohibitively high demands on computing time. High strain localization within fast propagating twin bands requires very fine simulation time steps and leads to enormous computational cost. To mitigate this shortcoming and improve the simulation efficiency, this paper proposes a multi-time-domain subcycling algorithm. It is based on adaptive partitioning of the evolving computational domain into twinned and untwinned domains. Based on the local deformation-rate, the algorithm accelerates simulations by adopting different time steps for each sub-domain. The sub-domains are coupled back after coarse time increments using a predictor-corrector algorithm at the interface. The subcycling-augmented CPFEM is validated with a comprehensive set of numerical tests. Significant speed-up is observed with this novel algorithm without any loss of accuracy that is advantageous for predicting twinning in polycrystalline microstructures.

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

Nguyen, Thao; Luscher, D. J.; Wilkerson, J. W.

We developed a framework for dislocation-based viscoplasticity and dynamic ductile failure to model high strain rate deformation and damage in single crystals. The rate-dependence of the crystal plasticity formulation is based on the physics of relativistic dislocation kinetics suited for extremely high strain rates. The damage evolution is based on the dynamics of void growth, which are governed by both micro-inertia as well as dislocation kinetics and dislocation substructure evolution. Furthermore, an averaging scheme is proposed in order to approximate the evolution of the dislocation substructure in both the macroscale as well as its spatial distribution at the microscale. Inmore » addition, a concept of a single equivalent dislocation density that effectively captures the collective influence of dislocation density on all active slip systems is proposed here. Together, these concepts and approximations enable the use of semi-analytic solutions for void growth dynamics developed in [J. Wilkerson and K. Ramesh. A dynamic void growth model governed by dislocation kinetics. J. Mech. Phys. Solids, 70:262–280, 2014.], which greatly reduce the computational overhead that would otherwise be required. The resulting homogenized framework has been implemented into a commercially available finite element package, and a validation study against a suite of direct numerical simulations was carried out.« less

Large eddy simulation study of spanwise spacing effects on secondary flows in turbulent channel flow

NASA Astrophysics Data System (ADS)

Aliakbarimiyanmahaleh, Mohammad; Anderson, William

2015-11-01

The structure of turbulent flow over a complex topography composed of streamwise-aligned rows of cones with varying spanwise spacing, s is studied with large-eddy simulation (LES). Similar to the experimental study of Vanderwel and Ganapathisubramani, 2015: J. Fluid Mech., we investigate the relationship between secondary flow and s, for 0 . 25 <= s / δ <= 5 . For cases with s / δ > 2 , domain-scale rollers freely exist. These had previously been called ``turbulent secondary flows'' (Willingham et al., 2014: Phys. Fluids; Barros and Christensen, 2014: J. Fluid Mech.; Anderson et al., 2015: J. Fluid Mech.), but closer inspection of the statistics indicates these are a turbulent tertiary flow: they only remain ``anchored'' to the conical roughness elements for s / δ > 2 . For s / δ < 2 , turbulent tertiary flows are prevented from occupying the domain by virtue of proximity to adjacent, counter-rotating tertiary flows. Turbulent secondary flows are associated with the conical roughness elements. These turbulent secondary flows emanate from individual conical topographic elements and set the roughness sublayer depth. The turbulent secondary flows remain intact for large and small spacing. For s / δ < 1 , a mean tertiary flow is not present. This work was supported by the Air Force Office of Sci. Research, Young Inv. Program (PM: Dr. R. Ponnoppan and Ms. E. Montomery) under Grant # FA9550-14-1-0394. Computational resources were provided by the Texas Adv. Comp. Center at the Univ. of Texas.

Active damping of capillary oscillations on liquid columns

NASA Astrophysics Data System (ADS)

Thiessen, David B.; Wei, Wei; Marston, Philip L.

2002-05-01

Active control of acoustic radiation pressure and of electrostatic stresses on liquid columns has been demonstrated to overcome the Rayleigh-Plateau instability that normally causes long liquid columns to break [M. J. Marr-Lyon et al., J. Fluid Mech. 351, 345 (1997); Phys. Fluids 12, 986-995 (2000)]. Though originally demonstrated for liquid-liquid systems in plateau tanks, the electrostatic method also works on columns in air in reduced gravity [D. B. Thiessen, M. J. Marr-Lyon, and P. L. Marston, ``Active electrostatic stabilization of liquid bridges in low gravity,'' J. Fluid Mech. (in press)]. In new research, the electrostatic stresses are applied in proportion to the velocity of the surface of the column so as to actively dampen capillary oscillations of the surface. The mode amplitude is optically sensed and the rate-of-change is electronically determined. Plateau tank measurements and theory both show that the change in damping rate is proportional to the feedback gain. The results suggest that either active control of electrostatic stresses or of acoustic radiation stresses can be used to suppress the response of interfaces to vibration. [Work supported by NASA.

Effect of acoustic streaming on the mass transfer from a sublimating sphere

NASA Astrophysics Data System (ADS)

Kawahara, N.; Yarin, A. L.; Brenn, G.; Kastner, O.; Durst, F.

2000-04-01

The effect of the acoustic streaming on the mass transfer from the surface of a sphere positioned in an ultrasonic acoustic levitator is studied both experimentally and theoretically. Acoustic levitation using standing ultrasonic waves is an experimental tool for studying the heat and mass transfer from small solid or liquid samples, because it allows an almost steady positioning of a sample at a fixed location in space. However, the levitator introduces some difficulties. One of the main problems with acoustic levitation is that an acoustic streaming is induced near the sample surface, which affects the heat and mass transfer rates, as characterized by increased Nusselt and Sherwood numbers. The transfer rates are not uniform along the sample surface, and the aim of the present study is to quantify the spatial Sherwood number distribution over the surface of a sphere. The experiments are based on the measurement of the surface shape of a sphere layered with a solid substance as a function of time using a charge-coupled device (CCD) camera with backlighting. The sphere used in this research is a glass sphere layered with a volatile solid substance (naphthalene or camphor). The local mass transfer from the surface both with and without an ultrasonic acoustic field is investigated in order to evaluate the effect of the acoustic streaming. The experimental results are compared with predictions following from the theory outlined [A. L. Yarin, M. Pfaffenlehner, and C. Tropea, J. Fluid Mech. 356, 65 (1998); A. L. Yarin, G. Brenn, O. Kastner, D. Rensink, and C. Tropea, ibid. 399, 151 (1999)] which describes the acoustic field and the resulting acoustic streaming, and the mass transfer at the surface of particles and droplets located in an acoustic levitator. The results are also compared with the experimental data and with the theoretical predictions of Burdukov and Nakoryakov [J. Appl. Mech. Tech. Phys. 6, 51 (1965)], which are valid only in the case of spherical particles much smaller than the sound wavelength. Good agreement between experiment and the theory of Yarin et al. is demonstrated. The time-averaged heat and mass transfer rates over a sphere surface are greatest at the sphere's equator and least at its poles in the experiment as predicted by the theory (the ultrasonic standing wave spans the vertical axis passing through the poles). The measured distribution of the mass transfer rate over the sphere surface also agrees with the theoretical predictions, which shows that in strong acoustic fields sublimation (or evaporation) results from the acoustic streaming.

Cohesive zone model for intergranular slow crack growth in ceramics: influence of the process and the microstructure

NASA Astrophysics Data System (ADS)

Romero de la Osa, M.; Estevez, R.; Olagnon, C.; Chevalier, J.; Tallaron, C.

2011-10-01

Ceramic polycrystals are prone to slow crack growth (SCG) which is stress and environmentally assisted, similarly to observations reported for silica glasses. The kinetics of fracture are known to be dependent on the load level, the temperature and the relative humidity. In addition, evidence is available on the influence of the microstructure on the SCG rate with an increase in the crack velocity with decreasing the grain size. Crack propagation takes place beyond a load threshold, which is grain size dependent. We present a cohesive zone model for the intergranular failure process. The methodology accounts for an intrinsic opening that governs the length of the cohesive zone and allows the investigation of grain size effects. A rate and temperature-dependent cohesive model is proposed (Romero de la Osa M, Estevez R et al 2009 J. Mech. Adv. Mater. Struct. 16 623-31) to mimic the reaction-rupture mechanism. The formulation is inspired by Michalske and Freiman's picture (Michalske and Freiman 1983 J. Am. Ceram. Soc. 66 284-8) together with a recent study by Zhu et al (2005 J. Mech. Phys. Solids 53 1597-623) of the reaction-rupture mechanism. The present investigation extends a previous work (Romero de la Osa et al 2009 Int. J. Fracture 158 157-67) in which the problem is formulated. Here, we explore the influence of the microstructure in terms of grain size, their elastic properties and residual thermal stresses originating from the cooling from the sintering temperature down to ambient conditions. Their influence on SCG for static loadings is reported and the predictions compared with experimental trends. We show that the initial stress state is responsible for the grain size dependence reported experimentally for SCG. Furthermore, the account for the initial stresses enables the prediction of a load threshold below which no crack growth is observed: a crack arrest takes place when the crack path meets a region in compression.

Thermodynamic Behavior in Decaying Compressible Turbulence with Initially Dominant Temperature Fluctuations

NASA Astrophysics Data System (ADS)

Cai, X. D.; O'Brien, Edward E.; Ladeinde, Foluso

1996-11-01

Direct numerical simulation of decaying, isotropic, compressible turbulence in three dimensions is used to examine the behavior of fluctuations in density, temperature, and pressure when the initial conditions include temperature fluctuations larger than pressure fluctuations. The numerical procedure is described elsewhere (Ladeinde, F. et al.,) Phys. Fluids 7(11), pp. 2848 (1995), the initial turbulence Mach number range is subsonic, 0.3 to 0.7, and, following Ghosh and Matthaeus(Ghosh, S. and Matthaeus, W. H. Phys. Fluids A, pp. 148 (1991)), the initial compressible turbulence is characterized as a: mostly solenoidal, b: random, or c: longitudinal. These cases represent, respectively, ratios of initial kinetic energy in the compressible modes to total initial kinetic energy, say \\chi_0, which are either a: very small, b: about 0.6, or c: near unity. Thermodynamic scalings at the lowest values of initial Mach number and \\chi0 follow the predictions of Zank and Matthaeus (Zank, G. P. and Matthaeus, W. H. Phys. Fluids A(3), pp. 69 (1991)), but not otherwise. The relationship between \\chi, Mach number, and compressible pressure predicted by Sarkar et al.(Sarkar, S. et al.,) J. Fluid Mech. 227, pp. 473 (1991) applies, on average, to all cases computed.

The Processing and Mechanical Properties of High Temperature/ High Performance Composites. Mechanism-Based Constitutive Laws and Design. Book 1

DTIC Science & Technology

1994-03-01

H. Pestes Composites S . V . Kamat J. P. Hirth KJS 4/27/94 I I I I I M I BOOK 3 FATIGUE AND CREEP 32. Mode I Fatigue Cracking in a Fiber D . P. Walls...Mater.. 7 (1989) 305-17. Are: + 2(Am + 4m)(c, + d ) - (3;m + 2m)a mAT 9. Brindley. P. K.. Draper. S . L.. Nathal. M. V . & dm = R Eldridge. J. I...Mech. Ph vs. A 22A, 2975 (1991). Solids 24, 141 (1976). 8. S . Majumdar and P. V . Jr. McLaughlin, J. appl. Mech. 14. P. D . Warren, A. G. Mackin and A. G

Impurity and Defect Characterization in Epitaxial GaAs, InP and the Ternary and Quaternary Compound Semiconductors.

DTIC Science & Technology

1982-11-02

Wolfe, Phys. Rev. Lett. 27, 988 (1971). 5. H.R. Fetterman , D.M. Larsen, G.E. Stillman, P.E. Tannenwald, and J. Waldman, Phys.Rev. Lett. 26. 975(1971). 6...Kirkman, P.E. Simmonds, and R.A. Stradling, J. Phys. C., Solid State Phys. 8, 530 (1975). 18. H.R. Fetterman , J. Waldman and C.M. Wolfe, Solid State Commun

Some connections between importance sampling and enhanced sampling methods in molecular dynamics.

PubMed

Lie, H C; Quer, J

2017-11-21

In molecular dynamics, enhanced sampling methods enable the collection of better statistics of rare events from a reference or target distribution. We show that a large class of these methods is based on the idea of importance sampling from mathematical statistics. We illustrate this connection by comparing the Hartmann-Schütte method for rare event simulation (J. Stat. Mech. Theor. Exp. 2012, P11004) and the Valsson-Parrinello method of variationally enhanced sampling [Phys. Rev. Lett. 113, 090601 (2014)]. We use this connection in order to discuss how recent results from the Monte Carlo methods literature can guide the development of enhanced sampling methods.

Some connections between importance sampling and enhanced sampling methods in molecular dynamics

NASA Astrophysics Data System (ADS)

Lie, H. C.; Quer, J.

2017-11-01

In molecular dynamics, enhanced sampling methods enable the collection of better statistics of rare events from a reference or target distribution. We show that a large class of these methods is based on the idea of importance sampling from mathematical statistics. We illustrate this connection by comparing the Hartmann-Schütte method for rare event simulation (J. Stat. Mech. Theor. Exp. 2012, P11004) and the Valsson-Parrinello method of variationally enhanced sampling [Phys. Rev. Lett. 113, 090601 (2014)]. We use this connection in order to discuss how recent results from the Monte Carlo methods literature can guide the development of enhanced sampling methods.

Theory of turbulent thermal convection

NASA Astrophysics Data System (ADS)

Lohse, Detlef

2002-03-01

We review our universal theory for the scaling of the Nusselt number and the Reynolds number as functions of the Rayleigh number and the Prandtl number in turbulent thermal convection (Siegfried Grossmann and Detlef Lohse, J. Fluid Mech. 407, 27 (2000); Phys. Rev. Lett. 86, 3316 (2001)). This theory is based on a decomposition of the energy dissipation and the thermal dissipation into a bulk and a boundary layer contribution. We will in particular focus on the behavior for large Prandtl numbers and on the scaling behavior of the Reynolds number for which new experimental results have been obtained recently. We will also address the chaotic switching of the large scale wind of turbulence.

Two-Phase Solid/Fluid Simulation of Dense Granular Flows With Dilatancy Effects

NASA Astrophysics Data System (ADS)

Mangeney, Anne; Bouchut, Francois; Fernandez-Nieto, Enrique; Narbona-Reina, Gladys; Kone, El Hadj

2017-04-01

Describing grain/fluid interaction in debris flows models is still an open and challenging issue with key impact on hazard assessment [1]. We present here a two-phase two-thin-layer model for fluidized debris flows that takes into account dilatancy effects. It describes the velocity of both the solid and the fluid phases, the compression/ dilatation of the granular media and its interaction with the pore fluid pressure [2]. The model is derived from a 3D two-phase model proposed by Jackson [3] and the mixture equations are closed by a weak compressibility relation. This relation implies that the occurrence of dilation or contraction of the granular material in the model depends on whether the solid volume fraction is respectively higher or lower than a critical value. When dilation occurs, the fluid is sucked into the granular material, the pore pressure decreases and the friction force on the granular phase increases. On the contrary, in the case of contraction, the fluid is expelled from the mixture, the pore pressure increases and the friction force diminishes. To account for this transfer of fluid into and out of the mixture, a two-layer model is proposed with a fluid or a solid layer on top of the two-phase mixture layer. Mass and momentum conservation are satisfied for the two phases, and mass and momentum are transferred between the two layers. A thin-layer approximation is used to derive average equations. Special attention is paid to the drag friction terms that are responsible for the transfer of momentum between the two phases and for the appearance of an excess pore pressure with respect to the hydrostatic pressure. Interestingly, when removing the role of water, our model reduces to a dry granular flow model including dilatancy. We first compare experimental and numerical results of dilatant dry granular flows. Then, by quantitatively comparing the results of simulation and laboratory experiments on submerged granular flows, we show that our model contains the basic ingredients making it possible to reproduce the interaction between the granular and fluid phases through the change in pore fluid pressure. In particular, we analyse the different time scales in the model and their role in granular/fluid flow dynamics. References [1] R. Delannay, A. Valance, A. Mangeney, O. Roche, P. Richard, J. Phys. D: Appl. Phys., in press (2016). [2] F. Bouchut, E. D. Fernández-Nieto, A. Mangeney, G. Narbona-Reina, J. Fluid Mech., 801, 166-221 (2016). [3] R. Jackson, Cambridges Monographs on Mechanics (2000).

A dislocation-based crystal plasticity framework for dynamic ductile failure of single crystals

DOE PAGES

Nguyen, Thao; Luscher, D. J.; Wilkerson, J. W.

2017-08-02

We developed a framework for dislocation-based viscoplasticity and dynamic ductile failure to model high strain rate deformation and damage in single crystals. The rate-dependence of the crystal plasticity formulation is based on the physics of relativistic dislocation kinetics suited for extremely high strain rates. The damage evolution is based on the dynamics of void growth, which are governed by both micro-inertia as well as dislocation kinetics and dislocation substructure evolution. Furthermore, an averaging scheme is proposed in order to approximate the evolution of the dislocation substructure in both the macroscale as well as its spatial distribution at the microscale. Inmore » addition, a concept of a single equivalent dislocation density that effectively captures the collective influence of dislocation density on all active slip systems is proposed here. Together, these concepts and approximations enable the use of semi-analytic solutions for void growth dynamics developed in [J. Wilkerson and K. Ramesh. A dynamic void growth model governed by dislocation kinetics. J. Mech. Phys. Solids, 70:262–280, 2014.], which greatly reduce the computational overhead that would otherwise be required. The resulting homogenized framework has been implemented into a commercially available finite element package, and a validation study against a suite of direct numerical simulations was carried out.« less

Strain tensor selection and the elastic theory of incompatible thin sheets.

PubMed

Oshri, Oz; Diamant, Haim

2017-05-01

The existing theory of incompatible elastic sheets uses the deviation of the surface metric from a reference metric to define the strain tensor [Efrati et al., J. Mech. Phys. Solids 57, 762 (2009)JMPSA80022-509610.1016/j.jmps.2008.12.004]. For a class of simple axisymmetric problems we examine an alternative formulation, defining the strain based on deviations of distances (rather than distances squared) from their rest values. While the two formulations converge in the limit of small slopes and in the limit of an incompressible sheet, for other cases they are found not to be equivalent. The alternative formulation offers several features which are absent in the existing theory. (a) In the case of planar deformations of flat incompatible sheets, it yields linear, exactly solvable, equations of equilibrium. (b) When reduced to uniaxial (one-dimensional) deformations, it coincides with the theory of extensible elastica; in particular, for a uniaxially bent sheet it yields an unstrained cylindrical configuration. (c) It gives a simple criterion determining whether an isometric immersion of an incompatible sheet is at mechanical equilibrium with respect to normal forces. For a reference metric of constant positive Gaussian curvature, a spherical cap is found to satisfy this criterion except in an arbitrarily narrow boundary layer.

A numerical approximation to the elastic properties of sphere-reinforced composites

NASA Astrophysics Data System (ADS)

Segurado, J.; Llorca, J.

2002-10-01

Three-dimensional cubic unit cells containing 30 non-overlapping identical spheres randomly distributed were generated using a new, modified random sequential adsortion algorithm suitable for particle volume fractions of up to 50%. The elastic constants of the ensemble of spheres embedded in a continuous and isotropic elastic matrix were computed through the finite element analysis of the three-dimensional periodic unit cells, whose size was chosen as a compromise between the minimum size required to obtain accurate results in the statistical sense and the maximum one imposed by the computational cost. Three types of materials were studied: rigid spheres and spherical voids in an elastic matrix and a typical composite made up of glass spheres in an epoxy resin. The moduli obtained for different unit cells showed very little scatter, and the average values obtained from the analysis of four unit cells could be considered very close to the "exact" solution to the problem, in agreement with the results of Drugan and Willis (J. Mech. Phys. Solids 44 (1996) 497) referring to the size of the representative volume element for elastic composites. They were used to assess the accuracy of three classical analytical models: the Mori-Tanaka mean-field analysis, the generalized self-consistent method, and Torquato's third-order approximation.

Strain tensor selection and the elastic theory of incompatible thin sheets

NASA Astrophysics Data System (ADS)

Oshri, Oz; Diamant, Haim

2017-05-01

The existing theory of incompatible elastic sheets uses the deviation of the surface metric from a reference metric to define the strain tensor [Efrati et al., J. Mech. Phys. Solids 57, 762 (2009), 10.1016/j.jmps.2008.12.004]. For a class of simple axisymmetric problems we examine an alternative formulation, defining the strain based on deviations of distances (rather than distances squared) from their rest values. While the two formulations converge in the limit of small slopes and in the limit of an incompressible sheet, for other cases they are found not to be equivalent. The alternative formulation offers several features which are absent in the existing theory. (a) In the case of planar deformations of flat incompatible sheets, it yields linear, exactly solvable, equations of equilibrium. (b) When reduced to uniaxial (one-dimensional) deformations, it coincides with the theory of extensible elastica; in particular, for a uniaxially bent sheet it yields an unstrained cylindrical configuration. (c) It gives a simple criterion determining whether an isometric immersion of an incompatible sheet is at mechanical equilibrium with respect to normal forces. For a reference metric of constant positive Gaussian curvature, a spherical cap is found to satisfy this criterion except in an arbitrarily narrow boundary layer.

Polyphosphazene Solid Electrolytes.

DTIC Science & Technology

1984-10-01

soL..I’IIN ’ . LAV A - .:.u.s 009 ’-" 4. T .. T. edSutoe .TVCO EO T EI O Polyphosphazene Solid Electrolytes Interim Technical Repor 6. PEAFORMING RG ...Y. T.; Whitmore , D. H. Solid State Ionics 1982, 7, 129. (10) Bauerle, J. E. J. Phys. Chem. Solids 1969, 30, 2657. (11) MacDonald, J. R. J. Chem. Phys

Impulse Propagation in Disordered Hertzian Chains

NASA Astrophysics Data System (ADS)

Manciu, Marian; Sen, Surajit; Hurd, Alan J.

2000-03-01

It was shown by Nesterenko [1] that an impulse initiated at an end of a chain of elastic grains in mutual contact, i.e., interacting via the nonlinear Hertz potential, travels as a soliton-like object. Recent theoretical [2], experimental [3] and numerical studies [4] have validated his findings. In the presentation we shall examine the propagation of an impulse in an imperfect system that is characterized by grains composed of different elastic materials, different sizes, shapes and velocity-dependent friction. Our study shows that even in the presence of considerable disorder, most of the energy still travels as a weakly dispersive bundle of energy. According to our calculations, the amplitude, position and geometry of the leading pulse are related to chain disorder via simple scaling laws. We shall comment upon the inverse problem of determining the material properties by studying the pulse propagation, with many potential applications. [1] V.F. Nesterenko, J Appl Mech Tech Phys 5, 733 (1983) [2] S. Sen and M. Manciu, Physica A 268, 644 (1999); A. Chatterjee, Phys Rev E 59, 5912 (1999) [3] C. Coste, E. Falcon and S. Fauve, Phys Rev E 56, 6104 (1997); E.J. Hinch and S. Saint-Jean, Proc R Soc A 455, 3201 (1999) [4] M. Manciu, V. Tehan and S. Sen, Chaos (in press)

Corrigendum to “The Schwarz alternating method in solid mechanics” [Comput. Methods Appl. Mech. Engrg. 319 (2017) 19–51

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

Mota, Alejandro; Tezaur, Irina; Alleman, Coleman

This corrigendum clarifies the conditions under which the proof of convergence of Theorem 1 from the original article is valid. We erroneously stated as one of the conditions for the Schwarz alternating method to converge that the energy functional be strictly convex for the solid mechanics problem. Finally, we have relaxed that assumption and changed the corresponding parts of the text. None of the results or other parts of the original article are affected.

Corrigendum to “The Schwarz alternating method in solid mechanics” [Comput. Methods Appl. Mech. Engrg. 319 (2017) 19–51

DOE PAGES

Mota, Alejandro; Tezaur, Irina; Alleman, Coleman

2017-12-06

This corrigendum clarifies the conditions under which the proof of convergence of Theorem 1 from the original article is valid. We erroneously stated as one of the conditions for the Schwarz alternating method to converge that the energy functional be strictly convex for the solid mechanics problem. Finally, we have relaxed that assumption and changed the corresponding parts of the text. None of the results or other parts of the original article are affected.

Totally Asymmetric Limit for Models of Heat Conduction

NASA Astrophysics Data System (ADS)

De Carlo, Leonardo; Gabrielli, Davide

2017-08-01

We consider one dimensional weakly asymmetric boundary driven models of heat conduction. In the cases of a constant diffusion coefficient and of a quadratic mobility we compute the quasi-potential that is a non local functional obtained by the solution of a variational problem. This is done using the dynamic variational approach of the macroscopic fluctuation theory (Bertini et al. in Rev Mod Phys 87:593, 2015). The case of a concave mobility corresponds essentially to the exclusion model that has been discussed in Bertini et al. (J Stat Mech L11001, 2010; Pure Appl Math 64(5):649-696, 2011; Commun Math Phys 289(1):311-334, 2009) and Enaud and Derrida (J Stat Phys 114:537-562, 2004). We consider here the convex case that includes for example the Kipnis-Marchioro-Presutti (KMP) model and its dual (KMPd) (Kipnis et al. in J Stat Phys 27:6574, 1982). This extends to the weakly asymmetric regime the computations in Bertini et al. (J Stat Phys 121(5/6):843-885, 2005). We consider then, both microscopically and macroscopically, the limit of large externalfields. Microscopically we discuss some possible totally asymmetric limits of the KMP model. In one case the totally asymmetric dynamics has a product invariant measure. Another possible limit dynamics has instead a non trivial invariant measure for which we give a duality representation. Macroscopically we show that the quasi-potentials of KMP and KMPd, which are non local for any value of the external field, become local in the limit. Moreover the dependence on one of the external reservoirs disappears. For models having strictly positive quadratic mobilities we obtain instead in the limit a non local functional having a structure similar to the one of the boundary driven asymmetric exclusion process.

A Macroscopic Multifractal Analysis of Parabolic Stochastic PDEs

NASA Astrophysics Data System (ADS)

Khoshnevisan, Davar; Kim, Kunwoo; Xiao, Yimin

2018-05-01

It is generally argued that the solution to a stochastic PDE with multiplicative noise—such as \\dot{u}= 1/2 u''+uξ, where {ξ} denotes space-time white noise—routinely produces exceptionally-large peaks that are "macroscopically multifractal." See, for example, Gibbon and Doering (Arch Ration Mech Anal 177:115-150, 2005), Gibbon and Titi (Proc R Soc A 461:3089-3097, 2005), and Zimmermann et al. (Phys Rev Lett 85(17):3612-3615, 2000). A few years ago, we proved that the spatial peaks of the solution to the mentioned stochastic PDE indeed form a random multifractal in the macroscopic sense of Barlow and Taylor (J Phys A 22(13):2621-2626, 1989; Proc Lond Math Soc (3) 64:125-152, 1992). The main result of the present paper is a proof of a rigorous formulation of the assertion that the spatio-temporal peaks of the solution form infinitely-many different multifractals on infinitely-many different scales, which we sometimes refer to as "stretch factors." A simpler, though still complex, such structure is shown to also exist for the constant-coefficient version of the said stochastic PDE.

A Macroscopic Multifractal Analysis of Parabolic Stochastic PDEs

NASA Astrophysics Data System (ADS)

Khoshnevisan, Davar; Kim, Kunwoo; Xiao, Yimin

2018-04-01

It is generally argued that the solution to a stochastic PDE with multiplicative noise—such as \\dot{u}= 1/2 u''+uξ, where {ξ} denotes space-time white noise—routinely produces exceptionally-large peaks that are "macroscopically multifractal." See, for example, Gibbon and Doering (Arch Ration Mech Anal 177:115-150, 2005), Gibbon and Titi (Proc R Soc A 461:3089-3097, 2005), and Zimmermann et al. (Phys Rev Lett 85(17):3612-3615, 2000). A few years ago, we proved that the spatial peaks of the solution to the mentioned stochastic PDE indeed form a random multifractal in the macroscopic sense of Barlow and Taylor (J Phys A 22(13):2621-2626, 1989; Proc Lond Math Soc (3) 64:125-152, 1992). The main result of the present paper is a proof of a rigorous formulation of the assertion that the spatio-temporal peaks of the solution form infinitely-many different multifractals on infinitely-many different scales, which we sometimes refer to as "stretch factors." A simpler, though still complex, such structure is shown to also exist for the constant-coefficient version of the said stochastic PDE.

Kinematics and dynamics of a solitary wave interacting with varying bathymetry and/or a vertical wall

NASA Astrophysics Data System (ADS)

Papoutsellis, Christos; Athanassoulis, Gerassimos; Charalampopoulos, Alexis-Tzianni

2017-04-01

In this work, we investigate the transformations that solitary surface waves undergo during their interaction with uneven seabed and/or fully reflective vertical boundaries. This is accomplished by performing simulations using a non-local Hamiltonian formulation, taking into account full nonlinearity and dispersion, in the presence of variable seabed [1]. This formulation is based on an exact coupled-mode representation of the velocity potential, leading to efficient and accurate computations of the Dirichlet to Neumann operator, required in Zakharov/Craig-Sulem formulation [2], [3]. In addition, it allows for the efficient computation of wave kinematics (velocity, acceleration) and the pressure field, in the time-dependent fluid domain, up to its physical boundaries. Such computations are performed for the case of high-amplitude solitary waves interacting with varying bathymetry and/or a vertical wall, shedding light to their kinematics and dynamics. More specifically, we first consider two benchmark cases, namely the transformation of solitary waves over a plane beach [4], and the reflection of solitary waves on a vertical wall [5]. As a further step, results on the scattering/reflection of a solitary wave due to an undulating seabed, and on the disintegration of a solitary wave travelling form shallow to deep water are also presented. References:[1] G.A. Athanassoulis. & Ch.E. Papoutsellis, in Volume 7: Ocean Engineering, ASME, OMAE2015-41452, p. V007T06A029 (2015)[2] W. Craig, C. Sulem, J. Comp. Phys. 108, 73-83 (1993) [3] V. Zakharov, J. Appl. Mech. Tech. Phys 9, 86-94 (1968)[4] S. Grilli, R. Subramanya, T. Svendsen. & J. Veeramony, J. Waterway, Port, Coastal, Ocean Eng. 120(6), 609-628. (1994)[5] Y.Y. Chen, C. Kharif , J.H. Yang, H.C. Hsu, J. Touboul & J. Chambarel, Eur. J. Mech B-Fluid 49, 20-28 (2015)

Three-dimensional instabilities of pantographic sheets with parabolic lattices: numerical investigations

NASA Astrophysics Data System (ADS)

Scerrato, Daria; Giorgio, Ivan; Rizzi, Nicola Luigi

2016-06-01

In this paper, we determine numerically a large class of equilibrium configurations of an elastic two-dimensional continuous pantographic sheet in three-dimensional deformation consisting of two families of fibers which are parabolic prior to deformation. The fibers are assumed (1) to be continuously distributed over the sample, (2) to be endowed of bending and torsional stiffnesses, and (3) tied together at their points of intersection to avoid relative slipping by means of internal (elastic) pivots. This last condition characterizes the system as a pantographic lattice (Alibert and Della Corte in Zeitschrift für angewandte Mathematik und Physik 66(5):2855-2870, 2015; Alibert et al. in Math Mech Solids 8(1):51-73, 2003; dell'Isola et al. in Int J Non-Linear Mech 80:200-208, 2016; Int J Solids Struct 81:1-12, 2016). The model that we employ here, developed by Steigmann and dell'Isola (Acta Mech Sin 31(3):373-382, 2015) and first investigated in Giorgio et al. (Comptes rendus Mecanique 2016, doi: 10.1016/j.crme.2016.02.009), is applicable to fiber lattices in which three-dimensional bending, twisting, and stretching are significant as well as a resistance to shear distortion, i.e., to the angle change between the fibers. Some relevant numerical examples are exhibited in order to highlight the main features of the model adopted: In particular, buckling and post-buckling behaviors of pantographic parabolic lattices are investigated. The fabric of the metamaterial presented in this paper has been conceived to resist more effectively in the extensional bias tests by storing more elastic bending energy and less energy in the deformation of elastic pivots: A comparison with a fabric constituted by beams which are straight in the reference configuration shows that the proposed concept is promising.

Viscous Rayleigh-Taylor instability in spherical geometry

NASA Astrophysics Data System (ADS)

Mikaelian, Karnig O.

2016-02-01

We consider viscous fluids in spherical geometry, a lighter fluid supporting a heavier one. Chandrasekhar [Q. J. Mech. Appl. Math. 8, 1 (1955), 10.1093/qjmam/8.1.1] analyzed this unstable configuration providing the equations needed to find, numerically, the exact growth rates for the ensuing Rayleigh-Taylor instability. He also derived an analytic but approximate solution. We point out a weakness in his approximate dispersion relation (DR) and offer a somewhat improved one. A third DR, based on transforming a planar DR into a spherical one, suffers no unphysical predictions and compares reasonably well with the exact work of Chandrasekhar and a more recent numerical analysis of the problem [Terrones and Carrara, Phys. Fluids 27, 054105 (2015), 10.1063/1.4921648].

Topographic effect on the inclination angle of ramp like structures in rough wall, turbulent channel flow

NASA Astrophysics Data System (ADS)

Awasthi, Ankit; Anderson, William

2015-11-01

We have studied variation in structural inclination angle of coherent structures responding to a topography with abrupt spanwise heterogeneity. Recent results have shown that such a topography induces a turbulent secondary flow due to spanwise-wall normal heterogeneity of the Reynolds stresses (Anderson et al., 2015: J. Fluid Mech.). The presence of these spanwise alternating low and high momentum pathways (which are flanked by counter rotating, domain-scale vortices, Willingham et al., 2014: Phys. Fluids; Barros and Christensen, 2014: J. Fluid Mech.) are primarily due to the spanwise heterogeneity of the complex roughness under consideration. Results from the present research have been used to explore structural attributes of the hairpin packet paradigm in the presence of a turbulent secondary flow. Vortex visualization in the streamwise-wall normal plane above the crest (high drag) and trough (low drag) demonstrate variation in the inclination angle of coherent structures. The inclination angle of structures above the crest was approximately 45 degrees, much larger than the ``canonical'' value of 15 degrees. Thus, we present evidence that the hairpin packet concept is preserved - but modified - when a turbulent secondary flow is present. This work was supported by the Air Force Office of Sci. Research, Young Inv. Program (PM: Dr. R. Ponnoppan and Ms. E. Montomery) under Grant # FA9550-14-1-0394. Computational resources were provided by the Texas Adv. Comp. Center at Univ. of Texas.

Nonlinear interactions and their scaling in the logarithmic region of turbulent channels

NASA Astrophysics Data System (ADS)

Moarref, Rashad; Sharma, Ati S.; Tropp, Joel A.; McKeon, Beverley J.

2014-11-01

The nonlinear interactions in wall turbulence redistribute the turbulent kinetic energy across different scales and different wall-normal locations. To better understand these interactions in the logarithmic region of turbulent channels, we decompose the velocity into a weighted sum of resolvent modes (McKeon & Sharma, J. Fluid Mech., 2010). The resolvent modes represent the linear amplification mechanisms in the Navier-Stokes equations (NSE) and the weights represent the scaling influence of the nonlinearity. An explicit equation for the unknown weights is obtained by projecting the NSE onto the known resolvent modes (McKeon et al., Phys. Fluids, 2013). The weights of triad modes -the modes that directly interact via the quadratic nonlinearity in the NSE- are coupled via interaction coefficients that depend solely on the resolvent modes. We use the hierarchies of self-similar modes in the logarithmic region (Moarref et al., J. Fluid Mech., 2013) to extend the notion of triad modes to triad hierarchies. It is shown that the interaction coefficients for the triad modes that belong to a triad hierarchy follow an exponential function. These scalings can be used to better understand the interaction of flow structures in the logarithmic region and develop analytical results therein. The support of Air Force Office of Scientific Research under Grants FA 9550-09-1-0701 (P.M. Rengasamy Ponnappan) and FA 9550-12-1-0469 (P.M. Doug Smith) is gratefully acknowledged.

Flow of two immiscible fluids in a periodically constricted tube: Transitions to stratified, segmented, churn, spray, or segregated flow

NASA Astrophysics Data System (ADS)

Fraggedakis, D.; Kouris, Ch.; Dimakopoulos, Y.; Tsamopoulos, J.

2015-08-01

We study the flow of two immiscible, Newtonian fluids in a periodically constricted tube driven by a constant pressure gradient. Our volume-of-fluid algorithm is used to solve the governing equations. First, the code is validated by comparing its predictions to previously reported results for stratified and pulsing flow. Then, it is used to capture accurately all the significant topological changes that take place. Initially, the fluids have a core-annular arrangement, which is found to either remain the same or change to a different arrangement depending on the fluid properties, the pressure driving the flow, or the flow geometry. The flow-patterns that appear are the core-annular, segmented, churn, spray, and segregated flow. The predicted scalings near pinching of the core fluid concur with similarity predictions and earlier numerical results [I. Cohen et al., "Two fluid drop snap-off problem: Experiments and theory," Phys. Rev. Lett. 83, 1147-1150 (1999)]. Flow-pattern maps are constructed in terms of the Reynolds and Weber numbers. Our result provides deeper insights into the mechanism of the pattern transitions and is in agreement with previous studies on core-annular flow [Ch. Kouris and J. Tsamopoulos, "Core-annular flow in a periodically constricted circular tube, I. Steady state, linear stability and energy analysis," J. Fluid Mech. 432, 31-68 (2001) and Ch. Kouris et al., "Comparison of spectral and finite element methods applied to the study of interfacial instabilities of the core-annular flow in an undulating tube," Int. J. Numer. Methods Fluids 39(1), 41-73 (2002)], segmented flow [E. Lac and J. D. Sherwood, "Motion of a drop along the centreline of a capillary in a pressure-driven flow," J. Fluid Mech. 640, 27-54 (2009)], and churn flow [R. Y. Bai et al., "Lubricated pipelining—Stability of core annular-flow. 5. Experiments and comparison with theory," J. Fluid Mech. 240, 97-132 (1992)].

Chemical Reactions at the in vacuo Au/InP Interface.

DTIC Science & Technology

1987-07-25

Phys. C: Solid State Phys. 10, 4545 (1977). 2 A. Hiraki, K. Shuto, S. Kim, W. Kanmnura, and M. Iwami, Appl.Phys. Letts. 31, 611 (1977). 3. P.W. Chye ...Pelous, and P. Henoc, J.Appl.Phys. 52, 5112 (1981). 13. 1. Camlibel, A.K. Chin , F. Ermanis, M.A. DiGiuseppe, J.A. Lourenco and W.A. Bonner

Validation of the Jarzynski relation for a system with strong thermal coupling: an isothermal ideal gas model.

PubMed

Baule, A; Evans, R M L; Olmsted, P D

2006-12-01

We revisit the paradigm of an ideal gas under isothermal conditions. A moving piston performs work on an ideal gas in a container that is strongly coupled to a heat reservoir. The thermal coupling is modeled by stochastic scattering at the boundaries. In contrast to recent studies of an adiabatic ideal gas with a piston [R.C. Lua and A.Y. Grosberg, J. Phys. Chem. B 109, 6805 (2005); I. Bena, Europhys. Lett. 71, 879 (2005)], the container and piston stay in contact with the heat bath during the work process. Under this condition the heat reservoir as well as the system depend on the work parameter lambda and microscopic reversibility is broken for a moving piston. Our model is thus not included in the class of systems for which the nonequilibrium work theorem has been derived rigorously either by Hamiltonian [C. Jarzynski, J. Stat. Mech. (2004) P09005] or stochastic methods [G.E. Crooks, J. Stat. Phys. 90, 1481 (1998)]. Nevertheless the validity of the nonequilibrium work theorem is confirmed both numerically for a wide range of parameter values and analytically in the limit of a very fast moving piston, i.e., in the far nonequilibrium regime.

Existence of Corotating and Counter-Rotating Vortex Pairs for Active Scalar Equations

NASA Astrophysics Data System (ADS)

Hmidi, Taoufik; Mateu, Joan

2017-03-01

In this paper, we study the existence of corotating and counter-rotating pairs of simply connected patches for Euler equations and the {(SQG)_{α}} equations with {α in (0,1)}. From the numerical experiments implemented for Euler equations in Deem and Zabusky (Phys Rev Lett 40(13):859-862, 1978), Pierrehumbert (J Fluid Mech 99:129-144, 1980), Saffman and Szeto (Phys Fluids 23(12):2339-2342, 1980) it is conjectured the existence of a curve of steady vortex pairs passing through the point vortex pairs. There are some analytical proofs based on variational principle (Keady in J Aust Math Soc Ser B 26:487-502, 1985; Turkington in Nonlinear Anal Theory Methods Appl 9(4):351-369, 1985); however, they do not give enough information about the pairs, such as the uniqueness or the topological structure of each single vortex. We intend in this paper to give direct proofs confirming the numerical experiments and extend these results for the {(SQG)_{α}} equation when {α in (0,1)}. The proofs rely on the contour dynamics equations combined with a desingularization of the point vortex pairs and the application of the implicit function theorem.

Shocks in oscillated granular layers

NASA Astrophysics Data System (ADS)

Bougie, J.; Moon, Sung Joon; Swift, J. B.; Swinney, Harry L.

2001-11-01

We study shock formation in vertically oscillated granular layers, where shock waves form with each collision between the layer and the bottom plate of the container. We use both three-dimensional numerical solutions of continuum equations developed by Jenkins and Richman (J.T. Jenkins and M.W. Richman, Arch. Rat. Mech. Anal. 87), 355 (1985) for smooth and nearly elastic hard spheres, and previously validated molecular dynamics (MD) simulations (C. Bizon, M.D. Shattuck, J.B. Swift, W.D. McCormick, and H.L. Swinney, Phys. Rev. Lett. 80), 57 (1998). Both methods capture the shock formation, and the two methods agree quantitatively for small dissipation. We also investigate the effect of inelasticity on shock formation, and use both smooth and rough hard-sphere MD simulations to investigate the effect of friction in this system.

A Geometric Characterization of Certain First Integrals for Nonholonomic Systems with Symmetries

NASA Astrophysics Data System (ADS)

Balseiro, Paula; Sansonetto, Nicola

2016-02-01

We study the existence of first integrals in nonholonomic systems with symmetry. First we define the concept of M-cotangent lift of a vector field on a manifold Q in order to unify the works [Balseiro P., Arch. Ration. Mech. Anal. 214 (2014), 453-501, arXiv:1301.1091], [Fassò F., Ramos A., Sansonetto N., Regul. Chaotic Dyn. 12 (2007), 579-588], and [Fassò F., Giacobbe A., Sansonetto N., Rep. Math. Phys. 62 (2008), 345-367]. Second, we study gauge symmetries and gauge momenta, in the cases in which there are the symmetries that satisfy the so-called vertical symmetry condition. Under such condition we can predict the number of linearly independent first integrals (that are gauge momenta). We illustrate the theory with two examples.

Off-wall boundary conditions for turbulent flows obtained from buffer-layer minimal flow units

NASA Astrophysics Data System (ADS)

Garcia-Mayoral, Ricardo; Pierce, Brian; Wallace, James

2012-11-01

There is strong evidence that the transport processes in the buffer region of wall-bounded turbulence are common across various flow configurations, even in the embryonic turbulence in transition (Park et al., Phys. Fl. 24). We use this premise to develop off-wall boundary conditions for turbulent simulations. Boundary conditions are constructed from DNS databases using periodic minimal flow units and reduced order modeling. The DNS data was taken from a channel at Reτ = 400 and a zero-pressure gradient transitional boundary layer (Sayadi et al., submitted to J . FluidMech .) . Both types of boundary conditions were first tested on a DNS of the core of the channel flow with the aim of extending their application to LES and to spatially evolving flows. 2012 CTR Summer Program.

Connection between two statistical approaches for the modelling of particle velocity and concentration distributions in turbulent flow: The mesoscopic Eulerian formalism and the two-point probability density function method

NASA Astrophysics Data System (ADS)

Simonin, Olivier; Zaichik, Leonid I.; Alipchenkov, Vladimir M.; Février, Pierre

2006-12-01

The objective of the paper is to elucidate a connection between two approaches that have been separately proposed for modelling the statistical spatial properties of inertial particles in turbulent fluid flows. One of the approaches proposed recently by Février, Simonin, and Squires [J. Fluid Mech. 533, 1 (2005)] is based on the partitioning of particle turbulent velocity field into spatially correlated (mesoscopic Eulerian) and random-uncorrelated (quasi-Brownian) components. The other approach stems from a kinetic equation for the two-point probability density function of the velocity distributions of two particles [Zaichik and Alipchenkov, Phys. Fluids 15, 1776 (2003)]. Comparisons between these approaches are performed for isotropic homogeneous turbulence and demonstrate encouraging agreement.

The steady inhomogeneous rapid granular shear flow of nearly elastic spheres

NASA Astrophysics Data System (ADS)

Chou, Chuen-Shii

2000-11-01

The steady inhomogeneous rapid granular shear flows of identical, smooth, nearly elastic spheres were considered, which interact with a flat wall to which identical, evenly spaced half-spheres have been attached. The boundary-value problem for the steady inhomogeneous shear flows, which are maintained by the relative motion of parallel bumpy boundaries, was solved by employing the constitutive relations of Jenkins and Richman (Arch. Rational Mech. Anal. 87 (1985) 355) and the boundary conditions of Richman (Acta. Mech. 75 (1988) 227) in the balance equations for mean fields of mass density of flow, velocity, and the granular temperature. How the resulting profiles of velocity, solid fraction, and granular temperature were affected by changes in the geometrical configuration of the boundary and the coefficient of restitution was demonstrated. Additionally, predicting how the slip velocity would vary with the geometrical configuration of the boundary, the coefficient of restitution, the flow depth and the average solid fraction within the flow was under taken. Special emphasis was placed on the manner in which the shear and normal stresses vary with boundary characteristics and the coefficient of restitution, primarily because the stresses are the quantities most easily measured by the experimentalist. Variations in slip velocity were observed to be partially responsible for the corresponding variations in the stresses.

MECH: Algorithms and Tools for Automated Assessment of Potential Attack Locations (Software User Guide)

DTIC Science & Technology

2015-10-02

hour per response, including the time for reviewing instructions, searching existing data sources , gathering and maintaining the data needed, and...architecture of MECH v0.1 is shown in Figure 1. The Android MECH-App shown on the left side of the figure is for end users to request tactical risk...when or where the next attack will take place.   3    2 MECH-App MECH-App runs on a touch screen based Android device for end users to access the

Cellular Actions and Interactions of Anticholinesterases and Their Antidotes in Mammalian Autonomic Neurons.

DTIC Science & Technology

1985-07-29

significant ( p ɘ.Ol) - 13 - ’ A MeCh t A MeCh A MeCh DFP OluM WASH AMeCh A MeCh A MeCh DFP lmM WASH Fig. 6 Facilitation and depression of muscarinic...N.J. and Karczmar, A.G. 1982. Substance P : A putative sensory transmitter in mammalian autonomic ganglia. Science, 217, 739-741. 22. Kiraly, M., Ma...neurons and on ganglionic transmission; and (2) clarification of the site and mechanism of action of a cholinesterase (ChE) reactivator, pyridinealdoxime

A study of gradient strengthening based on a finite-deformation gradient crystal-plasticity model

NASA Astrophysics Data System (ADS)

Pouriayevali, Habib; Xu, Bai-Xiang

2017-11-01

A comprehensive study on a finite-deformation gradient crystal-plasticity model which has been derived based on Gurtin's framework (Int J Plast 24:702-725, 2008) is carried out here. This systematic investigation on the different roles of governing components of the model represents the strength of this framework in the prediction of a wide range of hardening behaviors as well as rate-dependent and scale-variation responses in a single crystal. The model is represented in the reference configuration for the purpose of numerical implementation and then implemented in the FEM software ABAQUS via a user-defined subroutine (UEL). Furthermore, a function of accumulation rates of dislocations is employed and viewed as a measure of formation of short-range interactions. Our simulation results reveal that the dissipative gradient strengthening can be identified as a source of isotropic-hardening behavior, which may represent the effect of irrecoverable work introduced by Gurtin and Ohno (J Mech Phys Solids 59:320-343, 2011). Here, the variation of size dependency at different magnitude of a rate-sensitivity parameter is also discussed. Moreover, an observation of effect of a distinctive feature in the model which explains the effect of distortion of crystal lattice in the reference configuration is reported in this study for the first time. In addition, plastic flows in predefined slip systems and expansion of accumulation of GNDs are distinctly observed in varying scales and under different loading conditions.

Blast Induced Thresholds for Neuronal Networks (BITNeT)

DTIC Science & Technology

2017-06-19

compressive loading. Mech. …. Estrada, J ., Franck, C ., 2014. Microcavitation as a neuronal damage mechanism in blast traumatic brain injury, in...Gennisson, J .-L., Rénier, M., Catheline, S., Barrière, C ., Bercoff, J ., Tanter, M., Fink, M., 2007. Acoustoelasticity in soft solids: assessment of the...Foundations of Trauma. Butterworth-Heinemann, New York, pp. 189–199. Jacob, X., Catheline, S., Gennisson, J .-L., Barrière, C ., Royer, D., Fink, M., 2007

Dynamic Multiaxial Response of a Hot-Pressed Aluminum Nitride

DTIC Science & Technology

2012-01-05

Hutchinson, Adv. Appl . Mech. 29 (1992). [34] H. Ming-Yuan, J.W. Hutchinson, Int. J. Solids Struct. 25 (1989) 1053. [35] J. Salem , L. Ghosn, Int. J...Dynamic Multiaxial Response of a Hot- Pressed Aluminum Nitride by Guangli Hu, C. Q. Chen, K. T. Ramesh, and J. W. McCauley ARL-RP-0487...Laboratory Aberdeen Proving Ground, MD 21005-5066 ARL-RP-0487 June 2014 Dynamic Multiaxial Response of a Hot- Pressed Aluminum Nitride

The validation and preference among different EAM potentials to describe the solid-liquid transition of aluminum

NASA Astrophysics Data System (ADS)

Jiang, Yewei; Luo, Jie; Wu, Yongquan

2017-06-01

Empirical potential is vital to the classic atomic simulation, especially for the study of phase transitions, as well as the solid-interface. In this paper, we attempt to set up a uniform procedure for the validation among different potentials before the formal simulation study of phase transitions of metals. Two main steps are involved: (1) the prediction of the structures of both solid and liquid phases and their mutual transitions, i.e. melting and crystallization; (2) the prediction of vital thermodynamic (the equilibrium melting point at ambient pressure) and dynamic properties (the degrees of superheating and undercooling). We applied this procedure to the testing of seven published embedded-atom potentials (MKBA (Mendelev et al 2008 Philos. Mag. 88 1723), MFMP (Mishin et al 1999 Phys. Rev. B 59 3393), MDSL (Sturgeon and Laird 2000 Phys. Rev. B 62 14720), ZM (Zope and Mishin 2003 Phys. Rev. B 68 024102), LEA (Liu et al 2004 Model. Simul. Mater. Sci. Eng. 12 665), WKG (Winey et al 2009 Model. Simul. Mater. Sci. Eng. 17 055004) and ZJW (Zhou et al 2004 Phys. Rev. B 69 144113)) for the description of the solid-liquid transition of Al. All the predictions of structure, melting point and superheating/undercooling degrees were compared with the experiments or theoretical calculations. Then, two of them, MKBA and MDSL, were proven suitable for the study of the solid-liquid transition of Al while the residuals were unqualified. However, potential MKBA is more accurate to predict the structures of solid and liquid, while MDSL works a little better in the thermodynamic and dynamic predictions of solid-liquid transitions.

Maximum of an Airy process plus Brownian motion and memory in Kardar-Parisi-Zhang growth

NASA Astrophysics Data System (ADS)

Le Doussal, Pierre

2017-12-01

We obtain several exact results for universal distributions involving the maximum of the Airy2 process minus a parabola and plus a Brownian motion, with applications to the one-dimensional Kardar-Parisi-Zhang (KPZ) stochastic growth universality class. This allows one to obtain (i) the universal limit, for large time separation, of the two-time height correlation for droplet initial conditions, e.g., C∞=limt2/t1→+∞h(t1) h (t2)¯c/h(t1)2¯c, with C∞≈0.623 , as well as conditional moments, which quantify ergodicity breaking in the time evolution; (ii) in the same limit, the distribution of the midpoint position x (t1) of a directed polymer of length t2; and (iii) the height distribution in stationary KPZ with a step. These results are derived from the replica Bethe ansatz for the KPZ continuum equation, with a "decoupling assumption" in the large time limit. They agree and confirm, whenever they can be compared, with (i) our recent tail results for two-time KPZ with the work by de Nardis and Le Doussal [J. Stat. Mech. (2017) 053212, 10.1088/1742-5468/aa6bce], checked in experiments with the work by Takeuchi and co-workers [De Nardis et al., Phys. Rev. Lett. 118, 125701 (2017), 10.1103/PhysRevLett.118.125701] and (ii) a recent result of Maes and Thiery [J. Stat. Phys. 168, 937 (2017), 10.1007/s10955-017-1839-2] on midpoint position.

Propellant Nonlinear Constitutive Theory Extension: Preliminary Results.

DTIC Science & Technology

1983-08-01

Farris, R. J., Hermann , L. R., Hutchinson, J. R., and Schapery, R. A., "Development of a Solid Rocket Propellant Nonlinear Viscoelastic Constitu- tive...Publication 331, Dec. 1980. pp. 127- 133. 27. Mullins, L., "Softening of Rubber by Deformation," Rubber Chem. Technol., 1969, Vol. 31, pp. 333-362. 28. Oberth ...June 1973. 30. Hermann , L. R., and Peterson, F. E., "A Numerical Procedure for Viscoelastic Stress Analysis," Proc. 7th Mtg. of ICRPG Mech. Beh

Heat flow in chains driven by thermal noise

NASA Astrophysics Data System (ADS)

Fogedby, Hans C.; Imparato, Alberto

2012-04-01

We consider the large deviation function for a classical harmonic chain composed of N particles driven at the end points by heat reservoirs, first derived in the quantum regime by Saito and Dhar (2007 Phys. Rev. Lett. 99 180601) and in the classical regime by Saito and Dhar (2011 Phys. Rev. E 83 041121) and Kundu et al (2011 J. Stat. Mech. P03007). Within a Langevin description we perform this calculation on the basis of a standard path integral calculation in Fourier space. The cumulant generating function yielding the large deviation function is given in terms of a transmission Green's function and is consistent with the fluctuation theorem. We find a simple expression for the tails of the heat distribution, which turns out to decay exponentially. We, moreover, consider an extension of a single-particle model suggested by Derrida and Brunet (2005 Einstein Aujourd'hui (Les Ulis: EDP Sciences)) and discuss the two-particle case. We also discuss the limit for large N and present a closed expression for the cumulant generating function. Finally, we present a derivation of the fluctuation theorem on the basis of a Fokker-Planck description. This result is not restricted to the harmonic case but is valid for a general interaction potential between the particles.

Scaling of Convective Mixing in CO2 sequestration}

NASA Astrophysics Data System (ADS)

Hidalgo, J. J.; Cueto-Felgueroso, L.; Fe, J.; Juanes, R.

2012-12-01

Dissolution by convective mixing is a key trapping mechanisms during CO2 sequestration in saline aquifers. It is caused by a Rayleigh-Bénard-type instability resulting from the higher density CO2-brine mixture overlaying the resident brine. During the time period before the convective fingers reach the bottom of the aquifer, the Rayleigh number Ra is not a parameter that describes the system [Hidalgo & Carrera (2009), J. Fluid Mech.; Slim & Ramakrishnan (2010), Phys. Fluids], which suggests that dissolution fluxes should not depend on Ra. However, this appears to be in contradiction with recent experimental results using an analogue-fluid system characterized by a non-monotonic density-concentration curve, which naturally undergoes convection [Neufeld et al. (2010), Geophys. Res. Lett.; Backhaus, Turitsyn & Ecke (2011), Phys. Rev. Lett.]. Here we study the scaling of dissolution fluxes by means of the variance of concentration and the scalar dissipation rate. The fundamental relations among these three quantities allow us to study the canonical and analogue-fluid systems with high-resolution numerical simulations, and to demonstrate that both the canonical and analogue-fluid systems exhibit a dissolution flux that is constant and independent of Ra. Our findings point to the need for alternative explanations of recent nonlinear scalings of the Nusselt number observed experimentally.

The Fourier transforms for the spatially homogeneous Boltzmann equation and Landau equation

NASA Astrophysics Data System (ADS)

Meng, Fei; Liu, Fang

2018-03-01

In this paper, we study the Fourier transforms for two equations arising in the kinetic theory. The first equation is the spatially homogeneous Boltzmann equation. The Fourier transform of the spatially homogeneous Boltzmann equation has been first addressed by Bobylev (Sov Sci Rev C Math Phys 7:111-233, 1988) in the Maxwellian case. Alexandre et al. (Arch Ration Mech Anal 152(4):327-355, 2000) investigated the Fourier transform of the gain operator for the Boltzmann operator in the cut-off case. Recently, the Fourier transform of the Boltzmann equation is extended to hard or soft potential with cut-off by Kirsch and Rjasanow (J Stat Phys 129:483-492, 2007). We shall first establish the relation between the results in Alexandre et al. (2000) and Kirsch and Rjasanow (2007) for the Fourier transform of the Boltzmann operator in the cut-off case. Then we give the Fourier transform of the spatially homogeneous Boltzmann equation in the non cut-off case. It is shown that our results cover previous works (Bobylev 1988; Kirsch and Rjasanow 2007). The second equation is the spatially homogeneous Landau equation, which can be obtained as a limit of the Boltzmann equation when grazing collisions prevail. Following the method in Kirsch and Rjasanow (2007), we can also derive the Fourier transform for Landau equation.

Statistical representation of multiphase flow

NASA Astrophysics Data System (ADS)

Subramaniam

2000-11-01

The relationship between two common statistical representations of multiphase flow, namely, the single--point Eulerian statistical representation of two--phase flow (D. A. Drew, Ann. Rev. Fluid Mech. (15), 1983), and the Lagrangian statistical representation of a spray using the dropet distribution function (F. A. Williams, Phys. Fluids 1 (6), 1958) is established for spherical dispersed--phase elements. This relationship is based on recent work which relates the droplet distribution function to single--droplet pdfs starting from a Liouville description of a spray (Subramaniam, Phys. Fluids 10 (12), 2000). The Eulerian representation, which is based on a random--field model of the flow, is shown to contain different statistical information from the Lagrangian representation, which is based on a point--process model. The two descriptions are shown to be simply related for spherical, monodisperse elements in statistically homogeneous two--phase flow, whereas such a simple relationship is precluded by the inclusion of polydispersity and statistical inhomogeneity. The common origin of these two representations is traced to a more fundamental statistical representation of a multiphase flow, whose concepts derive from a theory for dense sprays recently proposed by Edwards (Atomization and Sprays 10 (3--5), 2000). The issue of what constitutes a minimally complete statistical representation of a multiphase flow is resolved.

Assessment of the GLLB-SC potential for solid-state properties and attempts for improvement

NASA Astrophysics Data System (ADS)

Tran, Fabien; Ehsan, Sohaib; Blaha, Peter

2018-02-01

Based on the work of Gritsenko et al. (GLLB) [Phys. Rev. A 51, 1944 (1995), 10.1103/PhysRevA.51.1944], the method of Kuisma et al. [Phys. Rev. B 82, 115106 (2010), 10.1103/PhysRevB.82.115106] to calculate the band gap in solids was shown to be much more accurate than the common local density approximation (LDA) and generalized gradient approximation (GGA). The main feature of the GLLB-SC potential (SC stands for solid and correlation) is to lead to a nonzero derivative discontinuity that can be conveniently calculated and then added to the Kohn-Sham band gap for a comparison with the experimental band gap. In this work, a thorough comparison of GLLB-SC with other methods, e.g., the modified Becke-Johnson (mBJ) potential [Tran and Blaha, Phys. Rev. Lett. 102, 226401 (2009), 10.1103/PhysRevLett.102.226401], for electronic, magnetic, and density-related properties is presented. It is shown that for the band gap, GLLB-SC does not perform as well as mBJ for systems with a small band gap and strongly correlated systems, but is on average of similar accuracy as hybrid functionals. The results on itinerant metals indicate that GLLB-SC overestimates significantly the magnetic moment (much more than mBJ does), but leads to excellent results for the electric field gradient, for which mBJ is in general not recommended. In the aim of improving the results, variants of the GLLB-SC potential are also tested.

Thermophysical Properties of Matter - the TPRC Data Series. Volume 13. Thermal Expansion - Nonmetallic Solids

DTIC Science & Technology

1977-01-01

topography of the state of knowledge on the thermal expansion of nonmetallic solids. We believe there is also much food for reflec- West Lafayette...34 Lithium Silicates ......... 713 209 Magnesium Metasilicate MgSiO. .. ......... 715 210 Magnesium Orthosilicate Mg2 SiO . . . . . . . . . . . . 718 211...Antiferromagnetism of Praseodymium," Phys. Rev. Letters, 12(20), 553-5, 1964. 66. Goode, J.M., "Phase Transition Temperature of Polonium ,"J. Chem. Phys., 26(5), 1269

Analysis of hydrodynamic fluctuations in heterogeneous adjacent multidomains in shear flow

NASA Astrophysics Data System (ADS)

Bian, Xin; Deng, Mingge; Tang, Yu-Hang; Karniadakis, George Em

2016-03-01

We analyze hydrodynamic fluctuations of a hybrid simulation under shear flow. The hybrid simulation is based on the Navier-Stokes (NS) equations on one domain and dissipative particle dynamics (DPD) on the other. The two domains overlap, and there is an artificial boundary for each one within the overlapping region. To impose the artificial boundary of the NS solver, a simple spatial-temporal averaging is performed on the DPD simulation. In the artificial boundary of the particle simulation, four popular strategies of constraint dynamics are implemented, namely the Maxwell buffer [Hadjiconstantinou and Patera, Int. J. Mod. Phys. C 08, 967 (1997), 10.1142/S0129183197000837], the relaxation dynamics [O'Connell and Thompson, Phys. Rev. E 52, R5792 (1995), 10.1103/PhysRevE.52.R5792], the least constraint dynamics [Nie et al., J. Fluid Mech. 500, 55 (2004), 10.1017/S0022112003007225; Werder et al., J. Comput. Phys. 205, 373 (2005), 10.1016/j.jcp.2004.11.019], and the flux imposition [Flekkøy et al., Europhys. Lett. 52, 271 (2000), 10.1209/epl/i2000-00434-8], to achieve a target mean value given by the NS solver. Going beyond the mean flow field of the hybrid simulations, we investigate the hydrodynamic fluctuations in the DPD domain. Toward that end, we calculate the transversal autocorrelation functions of the fluctuating variables in k space to evaluate the generation, transport, and dissipation of fluctuations in the presence of a hybrid interface. We quantify the unavoidable errors in the fluctuations, due to both the truncation of the domain and the constraint dynamics performed in the artificial boundary. Furthermore, we compare the four methods of constraint dynamics and demonstrate how to reduce the errors in fluctuations. The analysis and findings of this work are directly applicable to other hybrid simulations of fluid flow with thermal fluctuations.

Reply to “Comment on ‘Molybdenum sound velocity and shear modulus softening under shock compression’”

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

Nguyen, Jeffrey H.; Akin, Minta C.; Chau, Ricky

2015-07-01

Here, we respond to the Comment by Errandonea et al. [Phys. Rev. B 92, 026101 (2015)] on their reinterpretation of our published data [Nguyen et al., Phys. Rev. B 89, 174109 (2014)]. In the original paper, we argued that there is no solid-solid phase transition along the Hugoniot at 2.1 Mbars. There is, however, a softening of the shear modulus starting at 2.6 Mbars. Errandonea et al. [Phys. Rev. B 92, 026101 (2015)] reinterpreted our data and concluded that there is a structural change near 2.3 Mbars on the Hugoniot. Finally, we will explore the differences and agreements in themore » two interpretations of our data.« less

Level set formulation of two-dimensional Lagrangian vortex detection methods

NASA Astrophysics Data System (ADS)

Hadjighasem, Alireza; Haller, George

2016-10-01

We propose here the use of the variational level set methodology to capture Lagrangian vortex boundaries in 2D unsteady velocity fields. This method reformulates earlier approaches that seek material vortex boundaries as extremum solutions of variational problems. We demonstrate the performance of this technique for two different variational formulations built upon different notions of coherence. The first formulation uses an energy functional that penalizes the deviation of a closed material line from piecewise uniform stretching [Haller and Beron-Vera, J. Fluid Mech. 731, R4 (2013)]. The second energy function is derived for a graph-based approach to vortex boundary detection [Hadjighasem et al., Phys. Rev. E 93, 063107 (2016)]. Our level-set formulation captures an a priori unknown number of vortices simultaneously at relatively low computational cost. We illustrate the approach by identifying vortices from different coherence principles in several examples.

Self-Propulsion of Pure Water Droplets by Spontaneous Marangoni-Stress-Driven Motion

NASA Astrophysics Data System (ADS)

Izri, Ziane; van der Linden, Marjolein N.; Michelin, Sébastien; Dauchot, Olivier

2014-12-01

We report spontaneous motion in a fully biocompatible system consisting of pure water droplets in an oil-surfactant medium of squalane and monoolein. Water from the droplet is solubilized by the reverse micellar solution, creating a concentration gradient of swollen reverse micelles around each droplet. The strong advection and weak diffusion conditions allow for the first experimental realization of spontaneous motion in a system of isotropic particles at sufficiently large Péclet number according to a straightforward generalization of a recently proposed mechanism [S. Michelin, E. Lauga, and D. Bartolo, Phys. Fluids 25, 061701 (2013); S. Michelin and E. Lauga, J. Fluid Mech. 747, 572 (2014)]. Experiments with a highly concentrated solution of salt instead of water, and tetradecane instead of squalane, confirm the above mechanism. The present swimming droplets are able to carry external bodies such as large colloids, salt crystals, and even cells.

Self-propulsion of pure water droplets by spontaneous Marangoni-stress-driven motion.

PubMed

Izri, Ziane; van der Linden, Marjolein N; Michelin, Sébastien; Dauchot, Olivier

2014-12-12

We report spontaneous motion in a fully biocompatible system consisting of pure water droplets in an oil-surfactant medium of squalane and monoolein. Water from the droplet is solubilized by the reverse micellar solution, creating a concentration gradient of swollen reverse micelles around each droplet. The strong advection and weak diffusion conditions allow for the first experimental realization of spontaneous motion in a system of isotropic particles at sufficiently large Péclet number according to a straightforward generalization of a recently proposed mechanism [S. Michelin, E. Lauga, and D. Bartolo, Phys. Fluids 25, 061701 (2013); S. Michelin and E. Lauga, J. Fluid Mech. 747, 572 (2014)]. Experiments with a highly concentrated solution of salt instead of water, and tetradecane instead of squalane, confirm the above mechanism. The present swimming droplets are able to carry external bodies such as large colloids, salt crystals, and even cells.

Immiscible impact dynamics of droplets onto millimetric films

NASA Astrophysics Data System (ADS)

Shaikh, S.; Toyofuku, G.; Hoang, R.; Marston, J. O.

2018-01-01

The impact of liquid droplets onto a film of an immiscible liquid is studied experimentally across a broad range of parameters [Re = O(101-103), We = O(102-103)] with the aid of high-speed photography and image analysis. Above a critical impact parameter, Re^{1/2}We^{1/4} ≈ 100, the droplet fragments into multiple satellite droplets, which typically occurs as the result of a fingering instability. Statistical analysis indicates that the satellite droplets are approximately log-normally distributed, in agreement with some previous studies and the theoretical predictions of Wu (Prob Eng Mech 18:241-249, 2003). However, in contrast to a recent study by Lhuissier et al. (Phys Rev Lett 110:264503, 2013), we find that it is the modal satellite diameter, not the mean diameter, that scales inversely with the impact speed (or Weber number) and that the dependence is d_{mod} ˜ We^{-1/4}.

Method of moments for the dilute granular flow of inelastic spheres

NASA Astrophysics Data System (ADS)

Strumendo, Matteo; Canu, Paolo

2002-10-01

Some peculiar features of granular materials (smooth, identical spheres) in rapid flow are the normal pressure differences and the related anisotropy of the velocity distribution function f(1). Kinetic theories have been proposed that account for the anisotropy, mostly based on a generalization of the Chapman-Enskog expansion [N. Sela and I. Goldhirsch, J. Fluid Mech. 361, 41 (1998)]. In the present paper, we approach the problem differently by means of the method of moments; previously, similar theories have been constructed for the nearly elastic behavior of granular matter but were not able to predict the normal pressures differences. To overcome these restrictions, we use as an approximation of the f(1) a truncated series expansion in Hermite polynomials around the Maxwellian distribution function. We used the approximated f(1) to evaluate the collisional source term and calculated all the resulting integrals; also, the difference in the mean velocity of the two colliding particles has been taken into account. To simulate the granular flows, all the second-order moment balances are considered together with the mass and momentum balances. In balance equations of the Nth-order moments, the (N+1)th-order moments (and their derivatives) appear: we therefore introduced closure equations to express them as functions of lower-order moments by a generalization of the ``elementary kinetic theory,'' instead of the classical procedure of neglecting the (N+1)th-order moments and their derivatives. We applied the model to the translational flow on an inclined chute obtaining the profiles of the solid volumetric fraction, the mean velocity, and all the second-order moments. The theoretical results have been compared with experimental data [E. Azanza, F. Chevoir, and P. Moucheront, J. Fluid Mech. 400, 199 (1999); T. G. Drake, J. Fluid Mech. 225, 121 (1991)] and all the features of the flow are reflected by the model: the decreasing exponential profile of the solid volumetric fraction, the parabolic shape of the mean velocity, the constancy of the granular temperature and of its components. Besides, the model predicts the normal pressures differences, typical of the granular materials.

Large eddy simulation of transitional flow in an idealized stenotic blood vessel: evaluation of subgrid scale models.

PubMed

Pal, Abhro; Anupindi, Kameswararao; Delorme, Yann; Ghaisas, Niranjan; Shetty, Dinesh A; Frankel, Steven H

2014-07-01

In the present study, we performed large eddy simulation (LES) of axisymmetric, and 75% stenosed, eccentric arterial models with steady inflow conditions at a Reynolds number of 1000. The results obtained are compared with the direct numerical simulation (DNS) data (Varghese et al., 2007, "Direct Numerical Simulation of Stenotic Flows. Part 1. Steady Flow," J. Fluid Mech., 582, pp. 253-280). An inhouse code (WenoHemo) employing high-order numerical methods for spatial and temporal terms, along with a 2nd order accurate ghost point immersed boundary method (IBM) (Mark, and Vanwachem, 2008, "Derivation and Validation of a Novel Implicit Second-Order Accurate Immersed Boundary Method," J. Comput. Phys., 227(13), pp. 6660-6680) for enforcing boundary conditions on curved geometries is used for simulations. Three subgrid scale (SGS) models, namely, the classical Smagorinsky model (Smagorinsky, 1963, "General Circulation Experiments With the Primitive Equations," Mon. Weather Rev., 91(10), pp. 99-164), recently developed Vreman model (Vreman, 2004, "An Eddy-Viscosity Subgrid-Scale Model for Turbulent Shear Flow: Algebraic Theory and Applications," Phys. Fluids, 16(10), pp. 3670-3681), and the Sigma model (Nicoud et al., 2011, "Using Singular Values to Build a Subgrid-Scale Model for Large Eddy Simulations," Phys. Fluids, 23(8), 085106) are evaluated in the present study. Evaluation of SGS models suggests that the classical constant coefficient Smagorinsky model gives best agreement with the DNS data, whereas the Vreman and Sigma models predict an early transition to turbulence in the poststenotic region. Supplementary simulations are performed using Open source field operation and manipulation (OpenFOAM) ("OpenFOAM," http://www.openfoam.org/) solver and the results are inline with those obtained with WenoHemo.

Resistive-force theory for mesh-like superhydrophobic surfaces

NASA Astrophysics Data System (ADS)

Schnitzer, Ory; Yariv, Ehud

2018-03-01

A common realization of superhydrophobic surfaces makes use of a mesh-like geometry, where pockets of air are trapped in a periodic array of holes in a no-slip solid substrate. We consider the small-solid-fraction limit where the ribs of the mesh are narrow. In this limit, we obtain a simple leading-order approximation for the slip-length tensor of an arbitrary mesh geometry. This approximation scales as the solid-fraction logarithm, as anticipated by Ybert et al. [Phys. Fluids 19, 123601 (2007), 10.1063/1.2815730]; in the special case of a square mesh it agrees with the analytical results obtained by Davis and Lauga [Phys. Fluids 21, 113101 (2009), 10.1063/1.3250947].

Photoelectronic Properties of Ternary Niobium Oxides.

DTIC Science & Technology

1980-09-01

K . /Dwi ght ,. 1 d N0,OO0l4-77-C-0387 B . PERFORMING ORGAbi)ATi0N NAME AND ADZRESS 10. PROGRAM ELEMENT. PROIECT. TASK00 Po soArn odAREA a WORK UNIT...Kershaw, R.; Dwight, K .; Wold, A. J. Solid State Chem., 1979, 27, 307. 6. Salmon, 0. N.*J. Phys. Chem., 1961, 65, 550. 7. Koenitzer, J.; Khazai, B ...Ann. Rev. Phys. Chem., 197F, 29, 189. 10. Hormadaly, J.; Subbarao , S. N.; Kershaw, R.; Dwight, K .; Wold, A. J. Solid State Chem., to be published. 1.1

Probability density function modeling of scalar mixing from concentrated sources in turbulent channel flow

NASA Astrophysics Data System (ADS)

Bakosi, J.; Franzese, P.; Boybeyi, Z.

2007-11-01

Dispersion of a passive scalar from concentrated sources in fully developed turbulent channel flow is studied with the probability density function (PDF) method. The joint PDF of velocity, turbulent frequency and scalar concentration is represented by a large number of Lagrangian particles. A stochastic near-wall PDF model combines the generalized Langevin model of Haworth and Pope [Phys. Fluids 29, 387 (1986)] with Durbin's [J. Fluid Mech. 249, 465 (1993)] method of elliptic relaxation to provide a mathematically exact treatment of convective and viscous transport with a nonlocal representation of the near-wall Reynolds stress anisotropy. The presence of walls is incorporated through the imposition of no-slip and impermeability conditions on particles without the use of damping or wall-functions. Information on the turbulent time scale is supplied by the gamma-distribution model of van Slooten et al. [Phys. Fluids 10, 246 (1998)]. Two different micromixing models are compared that incorporate the effect of small scale mixing on the transported scalar: the widely used interaction by exchange with the mean and the interaction by exchange with the conditional mean model. Single-point velocity and concentration statistics are compared to direct numerical simulation and experimental data at Reτ=1080 based on the friction velocity and the channel half width. The joint model accurately reproduces a wide variety of conditional and unconditional statistics in both physical and composition space.

Asymptotic limits of some models for sound propagation in porous media and the assignment of the pore characteristic lengths.

PubMed

Horoshenkov, Kirill V; Groby, Jean-Philippe; Dazel, Olivier

2016-05-01

Modeling of sound propagation in porous media requires the knowledge of several intrinsic material parameters, some of which are difficult or impossible to measure directly, particularly in the case of a porous medium which is composed of pores with a wide range of scales and random interconnections. Four particular parameters which are rarely measured non-acoustically, but used extensively in a number of acoustical models, are the viscous and thermal characteristic lengths, thermal permeability, and Pride parameter. The main purpose of this work is to show how these parameters relate to the pore size distribution which is a routine characteristic measured non-acoustically. This is achieved through the analysis of the asymptotic behavior of four analytical models which have been developed previously to predict the dynamic density and/or compressibility of the equivalent fluid in a porous medium. In this work the models proposed by Johnson, Koplik, and Dashn [J. Fluid Mech. 176, 379-402 (1987)], Champoux and Allard [J. Appl. Phys. 70(4), 1975-1979 (1991)], Pride, Morgan, and Gangi [Phys. Rev. B 47, 4964-4978 (1993)], and Horoshenkov, Attenborough, and Chandler-Wilde [J. Acoust. Soc. Am. 104, 1198-1209 (1998)] are compared. The findings are then used to compare the behavior of the complex dynamic density and compressibility of the fluid in a material pore with uniform and variable cross-sections.

Novel Approaches to Quantum Computation Using Solid State Qubits

DTIC Science & Technology

2007-12-31

hysteretic DC-SQUIDs, Phys. Rev. B 71, 220509(R) (2005). 18. C.-P. Yang and S. Han, Generation of Greenberger-Horne- Zeilinger entangled states with three SQUID...Horne- Zeilinger entangled states with multiple superconducting quantum interference device qubits/atoms in cavity QED, Phys. Rev. A 70, 062323 (2004

Host Materials for Transition-Metal Ions with the ndN Electronic Configuration.

DTIC Science & Technology

1985-10-01

B. Manson, G. A. Shah, B. Howes, and C. D. Flint, 4A9 - Spectrum of Chromium - Doped Ammonium Aluminum Sulphate,2E Transition of Mn4 in Cs2 TiF 6.MnF6... Chromium Spinels , J. Phys. Chem. Solids 27 (1966),adVS.evsynSp-LtieRlxioofC3Insn 1379.Emerald, Soy. Phys. Solid State 22 (1980), 563. (15) W. Low...3d3 Sviridov, and 1. N. Kalinkina, Absoroption Spectra and Calculation Cr 3 -24,350 5376 4,2 - 3 10 d3 of Energy-Level Diagram of Fe3+ and Mn 24

Comparison of Photon Stimulated Dissociation of Gas Phase, Solid, and Chemisorbed Water.

DTIC Science & Technology

1983-09-01

C.C. [25] T. Shibaguchi. H . Onuki and R. Onaka 1. Phys. Soc. Parks. G. Loubriel and ,. H . Stulen, Chem. Phys. Letter Japan 42 (1977) 152. 80 (1981) 48...reduces the effectiveness of th& Ŗa " I " excitation for H desorption. The lbT24a1 and ib’T13a𔃾a two bole-one electron states are sufficiently long...peristent for H ’ desorption from the HO phases studied. The core level PSD specutm from solid DO is also Jnterpreted. Al of the results are found to be

On the nature of dissipative Timoshenko systems at light of the second spectrum of frequency

NASA Astrophysics Data System (ADS)

Almeida Júnior, D. S.; Ramos, A. J. A.

2017-12-01

In the present work, we prove that there exists a relation between a physical inconsistence known as second spectrum of frequency or non-physical spectrum and the exponential decay of a dissipative Timoshenko system where the damping mechanism acts on angle rotation. The so-called second spectrum is addressed into stabilization scenario and, in particular, we show that the second spectrum of the classical Timoshenko model can be truncated by taking a damping mechanism. Also, we show that dissipative Timoshenko type systems which are free of the second spectrum [based on important physical and historical observations made by Elishakoff (Advances mathematical modeling and experimental methods for materials and structures, solid mechanics and its applications, Springer, Berlin, pp 249-254, 2010), Elishakoff et al. (ASME Am Soc Mech Eng Appl Mech Rev 67(6):1-11 2015) and Elishakoff et al. (Int J Solids Struct 109:143-151, 2017)] are exponential stable for any values of the coefficients of system. In this direction, we provide physical explanations why weakly dissipative Timoshenko systems decay exponentially according to equality between velocity of wave propagation as proved in pioneering works by Soufyane (C R Acad Sci 328(8):731-734, 1999) and also by Muñoz Rivera and Racke (Discrete Contin Dyn Syst B 9:1625-1639, 2003). Therefore, the second spectrum of the classical Timoshenko beam model plays an important role in explaining some results on exponential decay and our investigations suggest to pay attention to the eventual consequences of this spectrum on stabilization setting for dissipative Timoshenko type systems.

On the dynamics of viscous masonry beams

NASA Astrophysics Data System (ADS)

Lucchesi, M.; Pintucchi, B.; Šilhavý, M.; Zani, N.

2015-05-01

In this paper, we consider the longitudinal and transversal vibrations of the masonry beams and arches. The basic motivation is the seismic vulnerability analysis of masonry structures that can be modeled as monodimensional elements. The Euler-Bernoulli hypothesis is employed for the system of forces in the beam. The axial force and the bending moment are assumed to consist of the elastic and viscous parts. The elastic part is described by the no-tension material, i.e., the material with no resistance to tension and which accounts for the cases of limitless, as well as bounded compressive strength. The adaptation of this material to beams has been developed in Orlandi (Analisi non lineare di strutture ad arco in muratura. Thesis, 1999) and Zani (Eur J Mech A/Solids 23:467-484, 2004). The viscous part amounts to the Kelvin-Voigt damping depending linearly on the time derivatives of the linearized strain and curvature. The dynamical equations are formulated, and a mathematical analysis of them is presented. Specifically, following Gajewski et al. (Nichtlineare Operatorgleichungen und Operatordifferentialgleichungen. Akademie-Verlag, Berlin, 1974), the theorems of existence, uniqueness and regularity of the solution of the dynamical equations are recapitulated and specialized for our purposes, to support the numerical analysis applied previously in Lucchesi and Pintucchi (Eur J Mech A/Solids 26:88-105, 2007 ). As usual, for that the Galerkin method has been used. As an illustration, two numerical examples (slender masonry tower and masonry arch) are presented in this paper with the applied forces corresponding to the acceleration in the earthquake in Emilia Romagna in May 29, 2012.

Thermofluid effect on energy storage in fluidized bed reactor

NASA Astrophysics Data System (ADS)

Mahfoudi, Nadjiba; El Ganaoui, Mohammed; Moummi, Abdelhafid

2016-05-01

The development of innovative systems of heat storage is imperative to improve the efficiency of the existing systems used in the thermal solar energy applications. Several techniques were developed and realized in this context. The technology of the sand fluidized bed (sandTES) offers a promising alternative to the current state-of-the-art of the heat storage systems, such as fixed bed using a storage materials, as sand, ceramic, and stones, etc. Indeed, the use of the fluidization technique allows an effective heat transfer to the solid particles. With the sand, an important capacity of storage is obtained by an economic and ecological material [N. Mahfoudi, A. Moummi, M. El Ganaoui, Appl. Mech. Mater. 621, 214 (2014); N. Mahfoudi, A. Khachkouch, A. Moummi B. Benhaoua, M. El Ganaoui, Mech. Ind. 16, 411 (2015); N. Mahfoudi, A. Moummi, M. El Ganaoui, F. Mnasri, K.M. Aboudou, 3e Colloque internationale Francophone d"énergétique et mécanique, Comores, 2014, p. 91]. This paper presents a CFD simulation of the hydrodynamics and the thermal transient behavior of a fluidized bed reactor of sand, to determine the characteristics of storage. The simulation shows a symmetry breaking that occurs and gave way to chaotic transient generation of bubble formation after 3 s. Furthermore, the predicted average temperature of the solid phase (sand) increases gradually versus the time with a gain of 1 °C in an interval of 10 s. Contribution to the topical issue "Materials for Energy Harvesting, Conversion and Storage (ICOME 2015) - Elected submissions", edited by Jean-Michel Nunzi, Rachid Bennacer and Mohammed El Ganaoui

Thermodynamic Model Formulations for Inhomogeneous Solids with Application to Non-isothermal Phase Field Modelling

NASA Astrophysics Data System (ADS)

Gladkov, Svyatoslav; Kochmann, Julian; Reese, Stefanie; Hütter, Markus; Svendsen, Bob

2016-04-01

The purpose of the current work is the comparison of thermodynamic model formulations for chemically and structurally inhomogeneous solids at finite deformation based on "standard" non-equilibrium thermodynamics [SNET: e. g. S. de Groot and P. Mazur, Non-equilibrium Thermodynamics, North Holland, 1962] and the general equation for non-equilibrium reversible-irreversible coupling (GENERIC) [H. C. Öttinger, Beyond Equilibrium Thermodynamics, Wiley Interscience, 2005]. In the process, non-isothermal generalizations of standard isothermal conservative [e. g. J. W. Cahn and J. E. Hilliard, Free energy of a non-uniform system. I. Interfacial energy. J. Chem. Phys. 28 (1958), 258-267] and non-conservative [e. g. S. M. Allen and J. W. Cahn, A macroscopic theory for antiphase boundary motion and its application to antiphase domain coarsening. Acta Metall. 27 (1979), 1085-1095; A. G. Khachaturyan, Theory of Structural Transformations in Solids, Wiley, New York, 1983] diffuse interface or "phase-field" models [e. g. P. C. Hohenberg and B. I. Halperin, Theory of dynamic critical phenomena, Rev. Modern Phys. 49 (1977), 435-479; N. Provatas and K. Elder, Phase Field Methods in Material Science and Engineering, Wiley-VCH, 2010.] for solids are obtained. The current treatment is consistent with, and includes, previous works [e. g. O. Penrose and P. C. Fife, Thermodynamically consistent models of phase-field type for the kinetics of phase transitions, Phys. D 43 (1990), 44-62; O. Penrose and P. C. Fife, On the relation between the standard phase-field model and a "thermodynamically consistent" phase-field model. Phys. D 69 (1993), 107-113] on non-isothermal systems as a special case. In the context of no-flux boundary conditions, the SNET- and GENERIC-based approaches are shown to be completely consistent with each other and result in equivalent temperature evolution relations.

Shock-induced superheating and melting curves of geophysically important minerals

NASA Astrophysics Data System (ADS)

Luo, Sheng-Nian; Ahrens, Thomas J.

2004-06-01

Shock-state temperature and sound-speed measurements on crystalline materials, demonstrate superheating-melting behavior distinct from equilibrium melting. Shocked solid can be superheated to the maximum temperature, Tc'. At slightly higher pressure, Pc, shock melting occurs, and induces a lower shock temperature, Tc. The Hugoniot state, ( Pc, Tc), is inferred to lie along the equilibrium melting curve. The amount of superheating achieved on Hugoniot is, ΘH+= Tc'/ Tc-1. Shock-induced superheating for a number of silicates, alkali halides and metals agrees closely with the predictions of a systematic framework describing superheating at various heating rates [Appl. Phys. Lett. 82 (12) (2003) 1836]. High-pressure melting curves are constructed by integration from ( Pc, Tc) based on the Lindemann law. We calculate the volume and entropy changes upon melting at ( Pc, Tc) assuming the R ln 2 rule ( R is the gas constant) for the disordering entropy of melting [J. Chem. Phys. 19 (1951) 93; Sov. Phys. Usp. 117 (1975) 625; Poirier, J.P., 1991. Introduction to the Physics of the Earth's Interior. Cambridge University Press, Cambridge, 102 pp.]. ( Pc, Tc) and the Lindemann melting curves are in excellent accord with diamond-anvil cell (DAC) results for NaCl, KBr and stishovite. But significant discrepancies exist for transition metals. If we extrapolate the DAC melting data [Phys. Rev. B 63 (2001) 132104] for transition metals (Fe, V, Mo, W and Ta) to 200-400 GPa where shock melting occurs, shock temperature measurement and calculation would indicate ΘH+˜0.7-2.0. These large values of superheating are not consistent with the superheating systematics. The discrepancies could be reconciled by possible solid-solid phase transitions at high pressures. In particular, this work suggests that Fe undergoes a possible solid-solid phase transition at ˜200 GPa and melts at ˜270 GPa upon shock wave loading, and the melting temperature is ˜6300 K at 330 GPa.

An efficient method for unfolding kinetic pressure driven VISAR data

DOE PAGES

Mark Harry Hess; Peterson, Kyle; Harvey-Thompson, Adam James

2015-08-18

Velocity Interferometer System for Any Reflector (VISAR) [Barker and Hollenbach, J. Appl. Phys.43, 4669 (1972)] is a well-known diagnostic that is employed on many shock physics and pulsed-power experiments. With the VISAR diagnostic, the velocity on the surface of any metal flyer can be found. For most experiments employing VISAR, either a kinetic pressure [Grady, Mech. Mater.29, 181 (1998)] or a magnetic pressure [Lemkeet al., Intl J. Impact Eng.38, 480 (2011)] drives the motion of the flyer. Moreover, reliable prediction of the time-dependent pressure is often a critical component to understanding the physics of these experiments. Although VISAR can provide amore » precise measurement of a flyer’s surface velocity, the real challenge of this diagnostic implementation is using this velocity to unfold the time-dependent pressure. As a result, the purpose of this paper is to elucidate a new method for quickly and reliably unfolding VISAR data.« less

The limit distribution in the q-CLT for q\\,\\geqslant \\,1 is unique and can not have a compact support

NASA Astrophysics Data System (ADS)

Umarov, Sabir; Tsallis, Constantino

2016-10-01

In a paper by Umarov et al (2008 Milan J. Math. 76 307-28), a generalization of the Fourier transform, called the q-Fourier transform, was introduced and applied for the proof of a q-generalized central limit theorem (q-CLT). Subsequently, Hilhorst illustrated (2009 Braz. J. Phys. 39 371-9 2010 J. Stat. Mech. P10023) that the q-Fourier transform for q\\gt 1, is not invertible in the space of density functions. Indeed, using an invariance principle, he constructed a family of densities with the same q-Fourier transform and noted that ‘as a consequence, the q-CLT falls short of achieving its stated goal’. The distributions constructed there have compact support. We prove now that the limit distribution in the q-CLT is unique and can not have a compact support. This result excludes all the possible counterexamples which can be constructed using the invariance principle and fills the gap mentioned by Hilhorst.

Contribution of non-resonant wave-wave interactions in the dynamics of long-crested sea wave fields

NASA Astrophysics Data System (ADS)

Benoit, Michel

2017-04-01

Gravity waves fields at the surface of the oceans evolve under the combined effects of several physical mechanisms, of which nonlinear wave-wave interactions play a dominant role. These interactions transfer energy between components within the energy spectrum and allow in particular to explain the shape of the distribution of wave energy according to the frequencies and directions of propagation. In the oceanic domain (deep water conditions), dominant interactions are third-order resonant interactions, between quadruplets (or quartets) of wave components, and the evolution of the wave spectrum is governed by a kinetic equation, established by Hasselmann (1962) and Zakharov (1968). The kinetic equation has a number of interesting properties, including the existence of self-similar solutions and cascades to small and large wavelengths of waves, which can be studied in the framework of the wave (or weak) turbulence theory (e.g. Badulin et al., 2005). With the aim to obtain more complete and precise modelling of sea states dynamics, we investigate here the possibility and consequences of taking into account the non-resonant interactions -quasi-resonant in practice- among 4 waves. A mathematical formalism has recently been proposed to account for these non-resonant interactions in a statistical framework by Annenkov & Shrira (2006) (Generalized Kinetic Equation, GKE) and Gramstad & Stiassnie (2013) (Phase Averaged Equation, PAE). In order to isolate the non-resonant contributions, we limit ourselves here to monodirectional (i.e. long-crested) wave trains, since in this case the 4-wave resonant interactions vanish. The (stochastic) modelling approaches proposed by Annenkov & Shrira (2006) and Gramstad & Stiassnie (2013) are compared to phase-resolving (deterministic) simulations based on a fully nonlinear potential approach (using a high-order spectral method, HOS). We study and compare the evolution dynamics of the wave spectrum at different time scales (i.e. over durations ranging from a few wave periods to 1000 periods), with the aim of highlighting the capabilities and limitations of the GKE-PAE models. Different situations are considered by varying the relative water depth, the initial steepness of the wave field, and the shape of the initial wave spectrum, including arbitrary forms. References: Annenkov S.Y., Shrira V.I. (2006) Role of non-resonant interactions in the evolution of nonlinear random water wave fields. J. Fluid Mech., 561, 181-207. Badulin S.I., Pushkarev A.N., Resio D., Zakharov V.E. (2005) Self-similarity of wind-driven seas. Nonlin. Proc. Geophys., 12, 891-946. Gramstad O., Stiassnie M. (2013) Phase-averaged equation for water waves. J. Fluid Mech., 718, 280- 303. Hasselmann K. (1962) On the non-linear energy transfer in a gravity-wave spectrum. Part 1. General theory. J. Fluid Mech., 12, 481-500. Zakharov V.E. (1968) Stability of periodic waves of finite amplitude on the surface of a deep fluid. J. App. Mech. Tech. Phys., 9(2), 190-194.

Formulation of strongly non-local, non-isothermal dynamics for heterogeneous solids based on the GENERIC with application to phase-field modeling

NASA Astrophysics Data System (ADS)

Hütter, Markus; Svendsen, Bob

2017-12-01

The purpose of the current work is the formulation of models for conservative and non-conservative dynamics in solid systems with the help of the General Equation for the Non-Equilibrium Reversible-Irreversible Coupling (GENERIC: e.g., Grmela and Öttinger, Phys. Rev. E 56(6), 6620 (1997); Öttinger and Grmela, Phys. Rev. E 56(6), 6633 (1997)). In this context, the resulting models are inherently spatially strongly non-local (i.e., functional) and non-isothermal in character. They are applicable in particular to the modeling of phase transitions as well as mass and heat transport in multiphase, multicomponent solids. In the last part of the work, the strongly non-local model formulation is reduced to weakly non-local form with the help of generalized gradient approximation of the energy and entropy functionals. On this basis, the current model formulation is shown to be consistent with and reduce to a recent non-isothermal generalization (Gladkov et al., J. Non-Equilib. Thermodyn. 41(2), 131 (2016)) of the well-known phase-field models of Cahn and Hilliard (J. Chem. Phys. 28(2), 258 (1958)) for conservative dynamics and of Allen and Cahn (Acta Metall. 27(6), 1085 (1979)) for non-conservative dynamics. Finally, the current approach is applied to derive a non-isothermal generalization of a phase-field crystal model for binary alloys (see, e.g., Elder et al., Phys. Rev. B 75(6), 064107 (2007)).

Reconstruction of high temporal resolution Thomson scattering data during a modulated electron cyclotron resonance heating using conditional averaging

NASA Astrophysics Data System (ADS)

Kobayashi, T.; Ida, K.; Itoh, K.; Yoshinuma, M.; Moon, C.; Inagaki, S.; Yamada, I.; Funaba, H.; Yasuhara, R.; Tsuchiya, H.; Ohdachi, S.; Yoshimura, Y.; Igami, H.; Shimozuma, T.; Kubo, S.; Tsujimura, T. I.

2016-04-01

This paper provides a software application of the sampling scope concept for fusion research. The time evolution of Thomson scattering data is reconstructed with a high temporal resolution during a modulated electron cyclotron resonance heating (MECH) phase. The amplitude profile and the delay time profile of the heat pulse propagation are obtained from the reconstructed signal for discharges having on-axis and off-axis MECH depositions. The results are found to be consistent with the MECH deposition.

Reconstruction of high temporal resolution Thomson scattering data during a modulated electron cyclotron resonance heating using conditional averaging

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

Kobayashi, T., E-mail: kobayashi.tatsuya@LHD.nifs.ac.jp; Yoshinuma, M.; Ohdachi, S.

2016-04-15

This paper provides a software application of the sampling scope concept for fusion research. The time evolution of Thomson scattering data is reconstructed with a high temporal resolution during a modulated electron cyclotron resonance heating (MECH) phase. The amplitude profile and the delay time profile of the heat pulse propagation are obtained from the reconstructed signal for discharges having on-axis and off-axis MECH depositions. The results are found to be consistent with the MECH deposition.

Reconstruction of high temporal resolution Thomson scattering data during a modulated electron cyclotron resonance heating using conditional averaging.

PubMed

Kobayashi, T; Ida, K; Itoh, K; Yoshinuma, M; Moon, C; Inagaki, S; Yamada, I; Funaba, H; Yasuhara, R; Tsuchiya, H; Ohdachi, S; Yoshimura, Y; Igami, H; Shimozuma, T; Kubo, S; Tsujimura, T I

2016-04-01

This paper provides a software application of the sampling scope concept for fusion research. The time evolution of Thomson scattering data is reconstructed with a high temporal resolution during a modulated electron cyclotron resonance heating (MECH) phase. The amplitude profile and the delay time profile of the heat pulse propagation are obtained from the reconstructed signal for discharges having on-axis and off-axis MECH depositions. The results are found to be consistent with the MECH deposition.

Scaling of convective dissolution in porous media

NASA Astrophysics Data System (ADS)

Hidalgo, Juan J.; Cueto-Felgueroso, Luis; Fe, Jaime; Juanes, Ruben

2012-11-01

Convective mixing in porous media results from the density increase in an ambient fluid as a substance (a solute or another fluid) dissolves into it., which leads to a Rayleigh-Bènard-type instability. The canonical model of convective mixing in porous media, which exhibits a dissolution flux that is constant during the time period before the convective fingers reach the bottom of the aquifer, is not described by the Rayleigh number Ra [Hidalgo & Carrera (2009), J. Fluid Mech.; Slim & Ramakrishnan (2010), Phys. Fluids]. That suggests that dissolution fluxes should not depend on Ra. However, this appears to be in contradiction with recent experimental results using an analogue-fluid system characterized by a non-monotonic density-concentration curve, which naturally undergoes convection [Neufeld et al. (2010), Geophys. Res. Lett.; Backhaus, Turitsyn & Ecke (2011), Phys. Rev. Lett.]. Here we study the scaling of dissolution fluxes by means of the variance of concentration and the scalar dissipation rate. The fundamental relations among these three quantities allow us to study the canonical and analogue-fluid systems with high-resolution numerical simulations, and to demonstrate that both the canonical and analogue-fluid systems exhibit a dissolution flux that is constant and independent of Ra. Our findings point to the need for alternative explanations of recent nonlinear scalings of the Nusselt number observed experimentally. JJH acknowledges the support from the FP7 Marie Curie Actions of the European Commission, via the CO2-MATE project (PIOF-GA-2009-253678).

Dispersion and Mixing in Quasi-two-dimensional Rotating Flows

NASA Astrophysics Data System (ADS)

Wells, M. G.; Clercx, H. J. H.; van Heijst, G. J. F.

A new rotating-tank experiment has been set up to investigate several aspects of dispersion in forced quasi-two-dimensional turbulence. By superimposing a harmonically varying perturbation on the mean rotation rate the mean flow continually interacts with the no-slip boundaries and forms boundary layers with high-amplitude vorticity twice during the forcing period. By choosing the proper amplitude and frequency of the perturbation it is possible to continuously inject small-scale vorticity in the interior of the flow, either in the form of filamentary structures (detached boundary layers) or as small vortices (after the roll-up of detached boundary layers). We present measurements of the passive scalar spectrum which show good agreement with the k -1 spectrum predicted by Batchelor (J. Fluid Mech. 5:113, 1959). Using particle image velocimetry we are able to reconstruct the Lagrangian trajectories of particles. The relative dispersion rates of particle pairs show an initial exponential separation followed by the classical Richardson dispersion, R 2 ∝ t3.0± 0.1. The variance of the absolute particle displacement grows as σ ∝ t1.4, similar to the observations in the previous experiments by Solomon et al. (Phys. Rev. Lett. 71:3975, 1993) and Hansen et al. (Phys. Rev. E 58:7261, 1998). Finally, and indicating future directions of research, we present results of a simple chemical reaction in forced quasi-2D turbulence and show how the bulk reaction rate is controlled by the mixing and filamentation processes.

The structure of the solution obtained with Reynolds-stress-transport models at the free-stream edges of turbulent flows

NASA Astrophysics Data System (ADS)

Cazalbou, J.-B.; Chassaing, P.

2002-02-01

The behavior of Reynolds-stress-transport models at the free-stream edges of turbulent flows is investigated. Current turbulent-diffusion models are found to produce propagative (possibly weak) solutions of the same type as those reported earlier by Cazalbou, Spalart, and Bradshaw [Phys. Fluids 6, 1797 (1994)] for two-equation models. As in the latter study, an analysis is presented that provides qualitative information on the flow structure predicted near the edge if a condition on the values of the diffusion constants is satisfied. In this case, the solution appears to be fairly insensitive to the residual free-stream turbulence levels needed with conventional numerical methods. The main specific result is that, depending on the diffusion model, the propagative solution can force turbulence toward definite and rather extreme anisotropy states at the edge (one- or two-component limit). This is not the case with the model of Daly and Harlow [Phys. Fluids 13, 2634 (1970)]; it may be one of the reasons why this "old" scheme is still the most widely used, even in recent Reynolds-stress-transport models. In addition, the analysis helps us to interpret some difficulties encountered in computing even very simple flows with Lumley's pressure-diffusion model [Adv. Appl. Mech. 18, 123 (1978)]. A new realizability condition, according to which the diffusion model should not globally become "anti-diffusive," is introduced, and a recalibration of Lumley's model satisfying this condition is performed using information drawn from the analysis.

Development and utilization of new diagnostics for dense-phase pneumatic transport

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

Louge, M.Y.; Jenkins, J.T.

Dense-phase pneumatic transport is an attractive means of conveying solids. Unfortunately, because of the high solid concentrations, this transport method is a difficult regime in which to carry out detailed measurements. Hence most details of the flow are unknown. In this context, the main objective of this work is to develop probes for local measurements of solid velocity and holdup in dense gas-solid flows. In particular, the authors have designed capacitance probes to measure local, time-dependent particle concentrations, and a new optical fiber probe based on laser-induced-phosphorescence to measure particle velocities. The principles for the capacitance and optical diagnostics weremore » given in the first and second quarterly reports. A final version of the optical fiber probe was designed in the previous reporting period. Because granular flows depends strongly on the nature of their interaction with a boundary, the authors have sought in the present reporting period to verify the boundary conditions recently calculated by Jenkins (J. Appl. Mech., in press (1991)) using computer simulations. 2 refs., 2 figs.« less

Excimer Emission from Alkali Diatomic and Alkaline-Earth-Noble-Gas Molecules

DTIC Science & Technology

1989-10-01

line at 792 nm is also shown as a solid line for 1.18 ami . respectively. The oven temperature and buffer gas comparison. The oven contained pure sodium...Hasselbrink, and G. Hillrichs. Chem. Phys. Lett. 30J. Huennekens, H. J. Park, T. Colbert , and S. C. McClain. 112,441 (1984). Phys. Rev. A 35, 2892 (1987). 15R

Quasi-linear versus potential-based formulations of force-flux relations and the GENERIC for irreversible processes: comparisons and examples

NASA Astrophysics Data System (ADS)

Hütter, Markus; Svendsen, Bob

2013-11-01

An essential part in modeling out-of-equilibrium dynamics is the formulation of irreversible dynamics. In the latter, the major task consists in specifying the relations between thermodynamic forces and fluxes. In the literature, mainly two distinct approaches are used for the specification of force-flux relations. On the one hand, quasi-linear relations are employed, which are based on the physics of transport processes and fluctuation-dissipation theorems (de Groot and Mazur in Non-equilibrium thermodynamics, North Holland, Amsterdam, 1962, Lifshitz and Pitaevskii in Physical kinetics. Volume 10, Landau and Lifshitz series on theoretical physics, Pergamon Press, Oxford, 1981). On the other hand, force-flux relations are also often represented in potential form with the help of a dissipation potential (Šilhavý in The mechanics and thermodynamics of continuous media, Springer, Berlin, 1997). We address the question of how these two approaches are related. The main result of this presentation states that the class of models formulated by quasi-linear relations is larger than what can be described in a potential-based formulation. While the relation between the two methods is shown in general terms, it is demonstrated also with the help of three examples. The finding that quasi-linear force-flux relations are more general than dissipation-based ones also has ramifications for the general equation for non-equilibrium reversible-irreversible coupling (GENERIC: e.g., Grmela and Öttinger in Phys Rev E 56:6620-6632, 6633-6655, 1997, Öttinger in Beyond equilibrium thermodynamics, Wiley Interscience Publishers, Hoboken, 2005). This framework has been formulated and used in two different forms, namely a quasi-linear (Öttinger and Grmela in Phys Rev E 56:6633-6655, 1997, Öttinger in Beyond equilibrium thermodynamics, Wiley Interscience Publishers, Hoboken, 2005) and a dissipation potential-based (Grmela in Adv Chem Eng 39:75-129, 2010, Grmela in J Non-Newton Fluid Mech 165:980-986, 2010, Mielke in Continuum Mech Therm 23:233-256, 2011) form, respectively, relating the irreversible evolution to the entropy gradient. It is found that also in the case of GENERIC, the quasi-linear representation encompasses a wider class of phenomena as compared to the dissipation-based formulation. Furthermore, it is found that a potential exists for the irreversible part of the GENERIC if and only if one does for the underlying force-flux relations.

On the dielectric susceptibility calculation in the incommensurate phase of K2SeO4

NASA Astrophysics Data System (ADS)

Aslanyan, T. A.

2010-10-01

It is shown that the thermodynamic potential of the domain-like incommensurate (IC) phase of the K2SeO4crystal (viewed as a model for the IC-C transition) should be supplemented with a term, taking into account the local, Lorentz electric field. The latter qualitatively changes the result of calculation of the dielectric susceptibility for this IC structure by Nattermann and Trimper, J. Phys. C: Solid State Phys. 14, 1603, (1981), and gives phase transition to the ferroelectric IC phase obtained by Aslanyan, Phys. Rev. B 70, 024102, (2004).

Cooperative Effects and Intrinsic Optical Bistability in Collections of Atoms

DTIC Science & Technology

1989-11-01

Solids B115, k63 (1983). 6. H.E. Schmidt, H. Haug and S.W. Koch; Appl. 2 44, 787 (1984). 7. J.W. Haus, Li Wang, M. Scalora and C.M. Bowden, Phys. Rev...maximum aver- I 1] J.W. Haus, L. Wang, M. Scalora and C.M. Bowden, Phys. age passage time for the parameters chosen. In re- Rev. A38 (1988) 4043. 112...Stat. Solidi B121 685 (1984). 10. M. Dagenais and W.F. Sharfin, Appl. Phys. Lett. 45, 210 (1984). 21 11. J.W. Haus, L. Wang, M. Scalora and C.M

A modified Gurson-type plasticity model at finite strains: formulation, numerical analysis and phase-field coupling

NASA Astrophysics Data System (ADS)

Aldakheel, Fadi; Wriggers, Peter; Miehe, Christian

2017-12-01

The modeling of failure in ductile materials must account for complex phenomena at the micro-scale, such as nucleation, growth and coalescence of micro-voids, as well as the final rupture at the macro-scale, as rooted in the work of Gurson (J Eng Mater Technol 99:2-15, 1977). Within a top-down viewpoint, this can be achieved by the combination of a micro-structure-informed elastic-plastic model for a porous medium with a concept for the modeling of macroscopic crack discontinuities. The modeling of macroscopic cracks can be achieved in a convenient way by recently developed continuum phase field approaches to fracture, which are based on the regularization of sharp crack discontinuities, see Miehe et al. (Comput Methods Appl Mech Eng 294:486-522, 2015). This avoids the use of complex discretization methods for crack discontinuities, and can account for complex crack patterns. In this work, we develop a new theoretical and computational framework for the phase field modeling of ductile fracture in conventional elastic-plastic solids under finite strain deformation. It combines modified structures of Gurson-Tvergaard-Needelman GTN-type plasticity model outlined in Tvergaard and Needleman (Acta Metall 32:157-169, 1984) and Nahshon and Hutchinson (Eur J Mech A Solids 27:1-17, 2008) with a new evolution equation for the crack phase field. An important aspect of this work is the development of a robust Explicit-Implicit numerical integration scheme for the highly nonlinear rate equations of the enhanced GTN model, resulting with a low computational cost strategy. The performance of the formulation is underlined by means of some representative examples, including the development of the experimentally observed cup-cone failure mechanism.

Large Eddy Simulation of Transitional Flow in an Idealized Stenotic Blood Vessel: Evaluation of Subgrid Scale Models

PubMed Central

Pal, Abhro; Anupindi, Kameswararao; Delorme, Yann; Ghaisas, Niranjan; Shetty, Dinesh A.; Frankel, Steven H.

2014-01-01

In the present study, we performed large eddy simulation (LES) of axisymmetric, and 75% stenosed, eccentric arterial models with steady inflow conditions at a Reynolds number of 1000. The results obtained are compared with the direct numerical simulation (DNS) data (Varghese et al., 2007, “Direct Numerical Simulation of Stenotic Flows. Part 1. Steady Flow,” J. Fluid Mech., 582, pp. 253–280). An inhouse code (WenoHemo) employing high-order numerical methods for spatial and temporal terms, along with a 2nd order accurate ghost point immersed boundary method (IBM) (Mark, and Vanwachem, 2008, “Derivation and Validation of a Novel Implicit Second-Order Accurate Immersed Boundary Method,” J. Comput. Phys., 227(13), pp. 6660–6680) for enforcing boundary conditions on curved geometries is used for simulations. Three subgrid scale (SGS) models, namely, the classical Smagorinsky model (Smagorinsky, 1963, “General Circulation Experiments With the Primitive Equations,” Mon. Weather Rev., 91(10), pp. 99–164), recently developed Vreman model (Vreman, 2004, “An Eddy-Viscosity Subgrid-Scale Model for Turbulent Shear Flow: Algebraic Theory and Applications,” Phys. Fluids, 16(10), pp. 3670–3681), and the Sigma model (Nicoud et al., 2011, “Using Singular Values to Build a Subgrid-Scale Model for Large Eddy Simulations,” Phys. Fluids, 23(8), 085106) are evaluated in the present study. Evaluation of SGS models suggests that the classical constant coefficient Smagorinsky model gives best agreement with the DNS data, whereas the Vreman and Sigma models predict an early transition to turbulence in the poststenotic region. Supplementary simulations are performed using Open source field operation and manipulation (OpenFOAM) (“OpenFOAM,” http://www.openfoam.org/) solver and the results are inline with those obtained with WenoHemo. PMID:24801556

Nonlocal van der Waals functionals: The case of rare-gas dimers and solids

NASA Astrophysics Data System (ADS)

Tran, Fabien; Hutter, Jürg

2013-05-01

Recently, the nonlocal van der Waals (vdW) density functionals [M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004), 10.1103/PhysRevLett.92.246401] have attracted considerable attention due to their good performance for systems where weak interactions are important. Since the physics of dispersion is included in these functionals, they are usually more accurate and show less erratic behavior than the semilocal and hybrid methods. In this work, several variants of the vdW functionals have been tested on rare-gas dimers (from He2 to Kr2) and solids (Ne, Ar, and Kr) and their accuracy compared to standard semilocal approximations, supplemented or not by an atom-pairwise dispersion correction [S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, J. Chem. Phys. 132, 154104 (2010), 10.1063/1.3382344]. An analysis of the results in terms of energy decomposition is also provided.

Wave propagation in relaxed micromorphic continua: modeling metamaterials with frequency band-gaps

NASA Astrophysics Data System (ADS)

Madeo, A.; Neff, P.; Ghiba, I. D.; Placidi, L.; Rosi, G.

2015-09-01

In this paper, the relaxed micromorphic model proposed in Ghiba et al. (Math Mech Solids, 2013), Neff et al. (Contin Mech Thermodyn, 2013) has been used to study wave propagation in unbounded continua with microstructure. By studying dispersion relations for the considered relaxed medium, we are able to disclose precise frequency ranges (band-gaps) for which propagation of waves cannot occur. These dispersion relations are strongly nonlinear so giving rise to a macroscopic dispersive behavior of the considered medium. We prove that the presence of band-gaps is related to a unique elastic coefficient, the so-called Cosserat couple modulus μ c , which is also responsible for the loss of symmetry of the Cauchy force stress tensor. This parameter can be seen as the trigger of a bifurcation phenomenon since the fact of slightly changing its value around a given threshold drastically changes the observed response of the material with respect to wave propagation. We finally show that band-gaps cannot be accounted for by classical micromorphic models as well as by Cosserat and second gradient ones. The potential fields of application of the proposed relaxed model are manifold, above all for what concerns the conception of new engineering materials to be used for vibration control and stealth technology.

Structure and Electrical Properties of RF Sputter Deposited Indium Antimonide Thin Films

DTIC Science & Technology

1975-12-01

Figure 6b is from the dark area in the upper right-hand corner of the micrograph. A plot of the average grain size of InSb films grown on p-a CaF2 as...1966). 29. R. F. Potter, Phys. Rev. 103, 47 (1956). 30. D. B. Holt, J. Phys. Chem. Solids 27, 1053 (1966). 31. H. F. Matare ’, Defect Electronics in

Local probing by use of transparent model materials

NASA Astrophysics Data System (ADS)

Philippe, P.

2017-12-01

The present contribution emphasizes on two distinct examples the benefit with using transparent materials that enable direct visualization within different types of model systems. Our first use of transparent materials investigates the elementary mechanisms involved in soil erosion based on three key ingredients: a) cohesive model materials (i.e. glass beads bonded by solid bridges); b) optical techniques (Refractive Index Matching and Planar Laser Induced Fluorescence [1,2]) ; c) specific mechanical tests to estimate the mechanical strength of the solid bonds. Then, critical shear-stress at erosion onset can be related to tensile strength considering an extension of the classical Shields' number [3,4].Our second example uses a transparent elasto-visco-plastic fluid (Carbopol) as a model of debris flows. Different geometrical configurations allow for an accurate investigation of the flow over an obstacle [5] or a cavity [6], inducing the existence of a dead-zone and consequently of a frontier between solid-like and fluid-like regions that is of particular relevance for debris flows mobilization and deposition. Practically, the hydrodynamics of the flow is investigated by means of high-resolution optical velocimetry (PIV) and underlines a non-monotonous evolution of the shear rate, which increases from zero at the solid-liquid interface, passes through a peak (sometimes leveling off at its maximum value), and returns to zero in a plug zone sufficiently far above the cavity or the obstacle. [1] Philippe P., and Badiane M. Phys. Rev. E 87, 042206 (2013). [2] Dijksman J.A., Rietz F., Lorincz K.A., van Hecke M., and Losert W. Review of Scientific Instruments 83(1), 011301 (2012). [3] Badr S., Gauthier G., and Gondret P. Phys. Fluids 26:023302 (2014). [4] Brunier-Coulin F., Cuéllar P., and Philippe P. Phys. Rev. Fluids 87, 2: 034302 (2017). [5] Luu L.-H., Philippe P., and Chambon G. Phys. Rev. E 91, 013013 (2015). [6] Luu L.-H., Philippe P.; and Chambon G. Journal of Non-Newtonian Fluid Mechanics 245, 25-37 (2017).

NanoMech, US EPA SBIR Award Recipient: 2014 Tibbetts Award Winner

EPA Pesticide Factsheets

NanoMech, a EPA SBIR award recipient in 2004 and 2005, received the 2014 Tibbetts Award for its coating technology, which can improve manufacturing processes by extending the life of tools used in automotive and aerospace industries.

Multilevel perspective on high-order harmonic generation in solids

NASA Astrophysics Data System (ADS)

Wu, Mengxi; Browne, Dana A.; Schafer, Kenneth J.; Gaarde, Mette B.

2016-12-01

We investigate high-order harmonic generation in a solid, modeled as a multilevel system dressed by a strong infrared laser field. We show that the cutoff energies and the relative strengths of the multiple plateaus that emerge in the harmonic spectrum can be understood both qualitatively and quantitatively by considering a combination of adiabatic and diabatic processes driven by the strong field. Such a model was recently used to interpret the multiple plateaus exhibited in harmonic spectra generated by solid argon and krypton [G. Ndabashimiye et al., Nature 534, 520 (2016), 10.1038/nature17660]. We also show that when the multilevel system originates from the Bloch state at the Γ point of the band structure, the laser-dressed states are equivalent to the Houston states [J. B. Krieger and G. J. Iafrate, Phys. Rev. B 33, 5494 (1986), 10.1103/PhysRevB.33.5494] and will therefore map out the band structure away from the Γ point as the laser field increases. This leads to a semiclassical three-step picture in momentum space that describes the high-order harmonic generation process in a solid.

A Multi Water Bag model of drift kinetic electron plasmaa

NASA Astrophysics Data System (ADS)

Morel, Pierre; Ghiro, Florent Dreydemy; Berionni, Vincent; Coulette, David; Besse, Nicolas; Gürcan, Özgür D.

2014-08-01

A Multi Water Bag model is proposed for describing drift kinetic plasmas in a magnetized cylindrical geometry, relevant for various experimental devices, solar wind modeling... The Multi Water Bag (MWB) model is adapted to the description of a plasma with kinetic electrons as well as an arbitrary number of kinetic ions. This allows to describe the kinetic dynamics of the electrons, making possible the study of electron temperature gradient (ETG) modes, in addition to the effects of non adiabatic electrons on the ion temperature gradient (ITG) modes, that are of prime importance in the magnetized plasmas micro-turbulence [X. Garbet, Y. Idomura, L. Villard, T.H. Watanabe, Nucl. Fusion 50, 043002 (2010); J.A. Krommes, Ann. Rev. Fluid Mech. 44, 175 (2012)]. The MWB model is shown to link kinetic and fluid descriptions, depending on the number of bags considered. Linear stability of the ETG modes is presented and compared to the existing results regarding cylindrical ITG modes [P. Morel, E. Gravier, N. Besse, R. Klein, A. Ghizzo, P. Bertrand, W. Garbet, Ph. Ghendrih, V. Grandgirard, Y. Sarazin, Phys. Plasmas 14, 112109 (2007)].

Hot Spots from Dislocation Pile-up Avalanches

NASA Astrophysics Data System (ADS)

Armstrong, Ronald; Grise, William

2005-07-01

The model of hot spots developed at dislocation pile-up avalanches has been employed to explain both: greater drop- weight heights being required to initiate chemical decomposition of smaller crystals [1]; and, the susceptibility to shear banding of energetic and reference inert materials, for example, adiabatic shear banding in steel [2]. The evidence for RDX (cyclotrimethylenetrinitramine) is that few dislocations are needed in the pile-ups thus providing justification for assessing dynamic pile-up release on a numerical basis for few dislocation numbers [3]. For release from a viscous obstacle, previous and new computations lead to a local temperature plateau occurring at the origin of pile-up release [4], in line with the physical concept of a hot spot. [1] R.W. Armstrong, C.S. Coffey, V.F. DeVost and W.L. Elban, J. Appl. Phys. 68 (1990) 979. [2] R.W. Armstrong and F.J. Zerilli, Mech. Mater. 17 (1994) 319. [3] R.W. Armstrong, Proc. Eighth Intern. Seminar: New Trends in Research of Energetic Materials, April 19- 21, 2005, Pardubice, CZ. [4] W.R. Grise, NRC/AFOSR Summer Faculty Fellowship Program, AFRL/MNME, Eglin Air Force Base, FL, 2003.

Control of the frequency of the (2,0) mode of liquid bridges using active electrostatic fields

NASA Astrophysics Data System (ADS)

Wei, Wei; Thiessen, David B.; Marston, Philip L.

2004-11-01

Active control of radial electrostatic fields was previously used to suppress the growth of the Plateau-Rayleigh instability in long liquid bridges in a Plateau tank [1] and (for bridges in air) in low gravity [2]. In the present research we use a Plateau tank bridge system having unusually low damping to explore the shift in the (2,0) mode frequency introduced by amplitude feedback for naturally stable bridges. The shift in the mode frequency is the result of the active stiffening of the bridge through the application of the appropriate Maxwell stress projection proportional to the model amplitude. The technique may be important for reducing the response of capillary systems (such as liquid bridges) to ambient vibrations for situations where a spectral peak of the excitation lies close to the natural frequency of an unstiffened mode. [1] M. J. Marr-Lyon, D. B. Thiessen, F. J. Blonigen, and P. L. Marston, Phys. Fluids 12, 986-995 (2000). [2] D. B. Thiessen, M. J. Marr-Lyon, and P. L. Marston, J. Fluid Mech. 457, 285-294 (2002).

Exploring the High-Pressure Behavior of PETN: A Combined Quantum Mechanical and Experimental Study

DTIC Science & Technology

2006-11-01

calculations to explore the hypothesized compression-induced polymorphic phase transition [Gruzdkov 2004]. The initial crystal in these Figure 4...Scuseria, G.E., and Chabalowski, C.F. 2004: An ab Initio Study of Solid Nitromethane, HMX , RDX , and CL20: Successes and Failures of DFT. J. Phys. Chem... RDX , HMX , HNIW, and PETN Crystals. J. Phys. Chem. B, 103, 6783. Trotter, J., 1963: Bond lengths and angles in Pentaerythritol Tetranitrate. Acta

Proton decoupling and recoupling under double-nutation irradiation in solid-state NMR

NASA Astrophysics Data System (ADS)

Takeda, Kazuyuki; Wakisaka, Asato; Takegoshi, K.

2014-12-01

The effect of 1H decoupling in magic-angle spinning solid-state NMR is studied under radiofrequency irradiation causing simultaneous nutations around a pair of orthogonal axes. Double-nutation with an arbitrary pair of nutation frequencies is implemented through modulation of the amplitude, phase, and frequency of the transmitting pulses. Similarity and difference of double-nutation decoupling and two-pulse phase-modulation decoupling schemes [A. E. Bennett, C. M. Rienstra, M. Auger, K. V. Lakshmi, and R. G. Griffin, J. Chem. Phys. 103, 6951-6958 (1995) and I. Scholz, P. Hodgkinson, B. H. Meier, and M. Ernst, J. Chem. Phys. 130, 114510 (2009)] are discussed. The structure of recoupling bands caused by interference of the 1H spin nutation with sample spinning is studied by both experiments and numerical simulations.

By Hook or by MOOC: Lessons Learned and the Road Ahead

NASA Astrophysics Data System (ADS)

Korsunsky, Boris; Li, Clara

2017-03-01

As online education has exploded in the past decade, the number of physics and physics-related massive open online courses (or MOOCs, to use the industry lingo) has grown substantially as well. Several such courses aim at high school students, especially those involved in the AP Physics program. One of us (BK) was involved in creating two such courses, both of which use the edX platform: MechCx, a full AP Physics course, as part of the group led by David Pritchard at MIT and a smaller-scale MechC101x, where BK was the sole author and developer. CL, a senior at Weston High School in 2016-17, took MechC101x during its first run in the summer of 2015 before taking BK's AP Physics C class in 2015-16. The purpose of this article is to present the data obtained from the maiden run of MechC101x, analyze the advantages and disadvantages of MOOCs compared to face-to-face courses, and to lay out some principles for the effective use of MOOCs in physics education.

Non-uniform breaking of molecular bonds, peripheral morphology and releasable adhesion by elastic anisotropy in bio-adhesive contacts

PubMed Central

Liu, Yan; Gao, Yanfei

2015-01-01

Biological adhesive contacts are usually of hierarchical structures, such as the clustering of hundreds of sub-micrometre spatulae on keratinous hairs of gecko feet, or the clustering of molecular bonds into focal contacts in cell adhesion. When separating these interfaces, releasable adhesion can be accomplished by asymmetric alignment of the lowest scale discrete bonds (such as the inclined spatula that leads to different peeling force when loading in different directions) or by elastic anisotropy. However, only two-dimensional contact has been analysed for the latter method (Chen & Gao 2007 J. Mech. Phys. Solids 55, 1001–1015 (doi:10.1016/j.jmps.2006.10.008)). Important questions such as the three-dimensional contact morphology, the maximum to minimum pull-off force ratio and the tunability of releasable adhesion cannot be answered. In this work, we developed a three-dimensional cohesive interface model with fictitious viscosity that is capable of simulating the de-adhesion instability and the peripheral morphology before and after the onset of instability. The two-dimensional prediction is found to significantly overestimate the maximum to minimum pull-off force ratio. Based on an interface fracture mechanics analysis, we conclude that (i) the maximum and minimum pull-off forces correspond to the largest and smallest contact stiffness, i.e. ‘stiff-adhere and compliant-release’, (ii) the fracture toughness is sensitive to the crack morphology and the initial contact shape can be designed to attain a significantly higher maximum-to-minimum pull-off force ratio than a circular contact, and (iii) since the adhesion is accomplished by clustering of discrete bonds or called bridged crack in terms of fracture mechanics terminology, the above conclusions can only be achieved when the bridging zone is significantly smaller than the contact size. This adhesion-fracture analogy study leads to mechanistic predictions that can be readily used to design biomimetics and releasable adhesives. PMID:25392403

Dispersion interactions in room-temperature ionic liquids: Results from a non-empirical density functional

NASA Astrophysics Data System (ADS)

Kohanoff, Jorge; Pinilla, Carlos; Youngs, Tristan G. A.; Artacho, Emilio; Soler, José M.

2011-10-01

The role of dispersion or van de Waals (VDW) interactions in imidazolium-based room-temperature ionic liquids is studied within the framework of density functional theory, using a recently developed non-empirical functional [M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004), 10.1103/PhysRevLett.92.246401], as efficiently implemented in the SIESTA code [G. Román-Pérez and J. M. Soler, Phys. Rev. Lett. 103, 096102 (2009), 10.1103/PhysRevLett.103.096102]. We present results for the equilibrium structure and lattice parameters of several crystalline phases, finding a general improvement with respect to both the local density (LDA) and the generalized gradient approximations (GGA). Similar to other systems characterized by VDW bonding, such as rare gas and benzene dimers as well as solid argon, equilibrium distances and volumes are consistently overestimated by ≈7%, compared to -11% within LDA and 11% within GGA. The intramolecular geometries are retained, while the intermolecular distances and orientations are significantly improved relative to LDA and GGA. The quality is superior to that achieved with tailor-made empirical VDW corrections ad hoc [M. G. Del Pópolo, C. Pinilla, and P. Ballone, J. Chem. Phys. 126, 144705 (2007), 10.1063/1.2715571]. We also analyse the performance of an optimized version of this non-empirical functional, where the screening properties of the exchange have been tuned to reproduce high-level quantum chemical calculations [J. Klimes, D. Bowler, and A. Michaelides, J. Phys.: Condens. Matter 22, 074203 (2010), 10.1088/0953-8984/22/7/074203]. The results for solids are even better with volumes and geometries reproduced within 2% of experimental data. We provide some insight into the issue of polymorphism of [bmim][Cl] crystals, and we present results for the geometry and energetics of [bmim][Tf] and [mmim][Cl] neutral and charged clusters, which validate the use of empirical force fields.

A comparative study between two smoothing strategies for the simulation of contact with large sliding

NASA Astrophysics Data System (ADS)

Batailly, Alain; Magnain, Benoît; Chevaugeon, Nicolas

2013-05-01

The numerical simulation of contact problems is still a delicate matter especially when large transformations are involved. In that case, relative large slidings can occur between contact surfaces and the discretization error induced by usual finite elements may not be satisfactory. In particular, usual elements lead to a facetization of the contact surface, meaning an unavoidable discontinuity of the normal vector to this surface. Uncertainty over the precision of the results, irregularity of the displacement of the contact nodes and even numerical oscillations of contact reaction force may result of such discontinuity. Among the existing methods for tackling such issue, one may consider mortar elements (Fischer and Wriggers, Comput Methods Appl Mech Eng 195:5020-5036, 2006; McDevitt and Laursen, Int J Numer Methods Eng 48:1525-1547, 2000; Puso and Laursen, Comput Methods Appl Mech Eng 93:601-629, 2004), smoothing of the contact surfaces with additional geometrical entity (B-splines or NURBS) (Belytschko et al., Int J Numer Methods Eng 55:101-125, 2002; Kikuchi, Penalty/finite element approximations of a class of unilateral contact problems. Penalty method and finite element method, ASME, New York, 1982; Legrand, Modèles de prediction de l'interaction rotor/stator dans un moteur d'avion Thèse de doctorat. PhD thesis, École Centrale de Nantes, Nantes, 2005; Muñoz, Comput Methods Appl Mech Eng 197:979-993, 2008; Wriggers and Krstulovic-Opara, J Appl Math Mech (ZAMM) 80:77-80, 2000) and, the use of isogeometric analysis (Temizer et al., Comput Methods Appl Mech Eng 200:1100-1112, 2011; Hughes et al., Comput Methods Appl Mech Eng 194:4135-4195, 2005; de Lorenzis et al., Int J Numer Meth Eng, in press, 2011). In the present paper, we focus on these last two methods which are combined with a finite element code using the bi-potential method for contact management (Feng et al., Comput Mech 36:375-383, 2005). A comparative study focusing on the pros and cons of each method regarding geometrical precision and numerical stability for contact solution is proposed. The scope of this study is limited to 2D contact problems for which we consider several types of finite elements. Test cases are given in order to illustrate this comparative study.

Singles correlation energy contributions in solids

NASA Astrophysics Data System (ADS)

Klimeš, Jiří; Kaltak, Merzuk; Maggio, Emanuele; Kresse, Georg

2015-09-01

The random phase approximation to the correlation energy often yields highly accurate results for condensed matter systems. However, ways how to improve its accuracy are being sought and here we explore the relevance of singles contributions for prototypical solid state systems. We set out with a derivation of the random phase approximation using the adiabatic connection and fluctuation dissipation theorem, but contrary to the most commonly used derivation, the density is allowed to vary along the coupling constant integral. This yields results closely paralleling standard perturbation theory. We re-derive the standard singles of Görling-Levy perturbation theory [A. Görling and M. Levy, Phys. Rev. A 50, 196 (1994)], highlight the analogy of our expression to the renormalized singles introduced by Ren and coworkers [Phys. Rev. Lett. 106, 153003 (2011)], and introduce a new approximation for the singles using the density matrix in the random phase approximation. We discuss the physical relevance and importance of singles alongside illustrative examples of simple weakly bonded systems, including rare gas solids (Ne, Ar, Xe), ice, adsorption of water on NaCl, and solid benzene. The effect of singles on covalently and metallically bonded systems is also discussed.

Shock-wave ion acceleration by an ultra-relativistic short laser pulse

NASA Astrophysics Data System (ADS)

Zhidkov, A.; Batishchev, O.; Uesaka, M.

2002-11-01

Research on ion acceleration by intense short laser pulses grows in the last few years [1-9] because of various applications. However, the study is mainly focused on the forward ion acceleration. We study ion inward acceleration, which in contrast to other mechanisms has density of ions per unit energy not decreased with the laser intensity [8]. Magnetic field generated due to a finite size of laser spot can affect electron distribution. In the present work we study the effect of magnetic field on the shock wave formation and ion acceleration in a solid target via 2D PIC and Vlasov simulation. Though the PIC simulation can provide detailed information, in relativistic plasmas it may not calculate B correctly: (i) too many particles are needed to make B disappeared in thermal plasmas, (ii) local scheme [10] does not satisfy curl(Epl)=0. Therefore, two approaches are used in the present study. [1] S. P. Hatchett et al., Phys. Plas. 7, 2076 (2000); [2] A. Maksimchuk et al., Phys. Rev. Lett. 84, 4108 (2000); [3] E.L. Clark et al., Phys. Rev. Lett. 85, 1654 (2000); [4] A. Zhidkov et al., Phys. Rev. E60, 3273 (1999); E61, R2224 (2000); [5] Y. Murakami et al, Phys. Plasmas 8,4138 (2001); [6] T.Zh. Esirkepov et al, JETP Lett. 70, 82 (1999); [7] A. Pukhov, Phys. Rev. Lett. 86, 3562(2001); [8] A.A. Andreev et al., Plasma Phys. Contr. Fusion (2002); [9] O.V. Batishchev et al., Plasma Phys. Rep. 20, 587 (1994); [10] J. Villasenor et al., Comp. Phys. Comm. 69, 306 (1992).

Hyd-Mech FB7 short rotation hardwood feller-buncher test

Treesearch

Dennis Curtin; Bryce Stokes; Doug Fredericks

1985-01-01

The FB7 is a first-generation prototype continuous feller-buncher manufactured by Hyd-Mech Engineering, Ltd. of Woodstock, Ontario. It was developed and funded by the National Research Council of Canada to harvest short-rotational bioenergy plantations of hybrid poplar. The development specifications were for stumps with diameters of up to eight inches and with a...

Fast Xe-129 relaxation in solid xenon near its melting point: Cross-over from Raman scattering of phonons to vacancy diffusion.

NASA Astrophysics Data System (ADS)

Kuzma, N. N.; Patton, B.; Raman, K.; Happer, W.

2002-03-01

NMR measurements of longitudinal relaxation times T1 in pure solid xenon were carried out using both natural-abundance and isotopically-enriched samples of hyperpolarized ^129Xe. At temperatures below 120 K and fields above 500 Gauss, the relaxation rate 1/T1 is field- and abundance-independent, consistent with the model of ^129Xe spin-flip Raman scattering of phonons(R. J. Fitzgerald et al.), Phys. Rev. B 59, 8795 (1999).. Above 120 K, vacancies invade the xenon lattice(P. R. Granfors et al.) Phys. Rev. B 24, 4753 (1981)., and a dramatic cross-over to the nuclear dipole-dipole relaxation due to the diffusion of vacancies is observed. As a result, the measured relaxation times of xenon near its melting point strongly depend on field and somewhat on ^129Xe abundance, and can be as short as several seconds, leading to potential difficulties in cryogenic applications of hyperpolarized ^129Xe. The data are analyzed using the theory of nuclear relaxation due to spin diffusion in cubic crystals(C. A. Sholl, J. Phys. C 21), 319 (1988)., and some estimates of the vacancy density and jump rates are discussed.

Lithotripter shock wave interaction with a bubble near various biomaterials.

PubMed

Ohl, S W; Klaseboer, E; Szeri, A J; Khoo, B C

2016-10-07

Following previous work on the dynamics of an oscillating bubble near a bio-material (Ohl et al 2009 Phys. Med. Biol. 54 6313-36) and the interaction of a bubble with a shockwave (Klaseboer et al 2007 J. Fluid Mech. 593 33-56), the present work concerns the interaction of a gas bubble with a traveling shock wave (such as from a lithotripter) in the vicinity of bio-materials such as fat, skin, muscle, cornea, cartilage, and bone. The bubble is situated in water (to represent a water-like biofluid). The bubble collapses are not spherically symmetric, but tend to feature a high speed jet. A few simulations are performed and compared with available experimental observations from Sankin and Zhong (2006 Phys. Rev. E 74 046304). The collapses of cavitation bubbles (created by laser in the experiment) near an elastic membrane when hit by a lithotripter shock wave are correctly captured by the simulation. This is followed by a more systematic study of the effects involved concerning shockwave bubble biomaterial interactions. If a subsequent rarefaction wave hits the collapsed bubble, it will re-expand to a very large size straining the bio-materials nearby before collapsing once again. It is noted that, for hard bio-material like bone, reflection of the shock wave at the bone-water interface can affect the bubble dynamics. Also the initial size of the bubble has a significant effect. Large bubbles (∼1 mm) will split into smaller bubbles, while small bubbles collapse with a high speed jet in the travel direction of the shock wave. The numerical model offers a computationally efficient way of understanding the complex phenomena involving the interplay of a bubble, a shock wave, and a nearby bio-material.

Pair mobility functions for rigid spheres in concentrated colloidal dispersions: Stresslet and straining motion couplings

NASA Astrophysics Data System (ADS)

Su, Yu; Swan, James W.; Zia, Roseanna N.

2017-03-01

Accurate modeling of particle interactions arising from hydrodynamic, entropic, and other microscopic forces is essential to understanding and predicting particle motion and suspension behavior in complex and biological fluids. The long-range nature of hydrodynamic interactions can be particularly challenging to capture. In dilute dispersions, pair-level interactions are sufficient and can be modeled in detail by analytical relations derived by Jeffrey and Onishi [J. Fluid Mech. 139, 261-290 (1984)] and Jeffrey [Phys. Fluids A 4, 16-29 (1992)]. In more concentrated dispersions, analytical modeling of many-body hydrodynamic interactions quickly becomes intractable, leading to the development of simplified models. These include mean-field approaches that smear out particle-scale structure and essentially assume that long-range hydrodynamic interactions are screened by crowding, as particle mobility decays at high concentrations. Toward the development of an accurate and simplified model for the hydrodynamic interactions in concentrated suspensions, we recently computed a set of effective pair of hydrodynamic functions coupling particle motion to a hydrodynamic force and torque at volume fractions up to 50% utilizing accelerated Stokesian dynamics and a fast stochastic sampling technique [Zia et al., J. Chem. Phys. 143, 224901 (2015)]. We showed that the hydrodynamic mobility in suspensions of colloidal spheres is not screened, and the power law decay of the hydrodynamic functions persists at all concentrations studied. In the present work, we extend these mobility functions to include the couplings of particle motion and straining flow to the hydrodynamic stresslet. The couplings computed in these two articles constitute a set of orthogonal coupling functions that can be utilized to compute equilibrium properties in suspensions at arbitrary concentration and are readily applied to solve many-body hydrodynamic interactions analytically.

Lithotripter shock wave interaction with a bubble near various biomaterials

NASA Astrophysics Data System (ADS)

Ohl, S. W.; Klaseboer, E.; Szeri, A. J.; Khoo, B. C.

2016-10-01

Following previous work on the dynamics of an oscillating bubble near a bio-material (Ohl et al 2009 Phys. Med. Biol. 54 6313-36) and the interaction of a bubble with a shockwave (Klaseboer et al 2007 J. Fluid Mech. 593 33-56), the present work concerns the interaction of a gas bubble with a traveling shock wave (such as from a lithotripter) in the vicinity of bio-materials such as fat, skin, muscle, cornea, cartilage, and bone. The bubble is situated in water (to represent a water-like biofluid). The bubble collapses are not spherically symmetric, but tend to feature a high speed jet. A few simulations are performed and compared with available experimental observations from Sankin and Zhong (2006 Phys. Rev. E 74 046304). The collapses of cavitation bubbles (created by laser in the experiment) near an elastic membrane when hit by a lithotripter shock wave are correctly captured by the simulation. This is followed by a more systematic study of the effects involved concerning shockwave bubble biomaterial interactions. If a subsequent rarefaction wave hits the collapsed bubble, it will re-expand to a very large size straining the bio-materials nearby before collapsing once again. It is noted that, for hard bio-material like bone, reflection of the shock wave at the bone—water interface can affect the bubble dynamics. Also the initial size of the bubble has a significant effect. Large bubbles (˜1 mm) will split into smaller bubbles, while small bubbles collapse with a high speed jet in the travel direction of the shock wave. The numerical model offers a computationally efficient way of understanding the complex phenomena involving the interplay of a bubble, a shock wave, and a nearby bio-material.

Squirmers with swirl: a model for Volvox swimming.

PubMed

Pedley, T J; Brumley, D R; Goldstein, R E

2016-07-10

Colonies of the green alga Volvox are spheres that swim through the beating of pairs of flagella on their surface somatic cells. The somatic cells themselves are mounted rigidly in a polymeric extracellular matrix, fixing the orientation of the flagella so that they beat approximately in a meridional plane, with axis of symmetry in the swimming direction, but with a roughly [Formula: see text] azimuthal offset which results in the eponymous rotation of the colonies about a body-fixed axis. Experiments on colonies of Volvox carteri held stationary on a micropipette show that the beating pattern takes the form of a symplectic metachronal wave (Brumley  et al.   Phys. Rev. Lett. , vol. 109, 2012, 268102). Here we extend the Lighthill/Blake axisymmetric, Stokes-flow model of a free-swimming spherical squirmer (Lighthill  Commun. Pure Appl. Maths , vol. 5, 1952, pp. 109-118; Blake  J. Fluid Mech. , vol. 46, 1971 b , pp. 199-208) to include azimuthal swirl. The measured kinematics of the metachronal wave for 60 different colonies are used to calculate the coefficients in the eigenfunction expansions and hence predict the mean swimming speeds and rotation rates, proportional to the square of the beating amplitude, as functions of colony radius. As a test of the squirmer model, the results are compared with measurements (Drescher  et al.   Phys. Rev. Lett. , vol. 102, 2009, 168101) of the mean swimming speeds and angular velocities of a different set of 220 colonies, also given as functions of colony radius. The predicted variation with radius is qualitatively correct, but the model underestimates both the mean swimming speed and the mean angular velocity unless the amplitude of the flagellar beat is taken to be larger than previously thought. The reasons for this discrepancy are discussed.

Over a thousand new periodic orbits of a planar three-body system with unequal masses

NASA Astrophysics Data System (ADS)

Li, Xiaoming; Jing, Yipeng; Liao, Shijun

2018-05-01

The three-body problem is common in astronomy, examples of which are the solar system, exoplanets, and stellar systems. Due to its chaotic characteristic, discovered by Poincaré, only three families of periodic three-body orbits were found in 300 years, until 2013 when Šuvakov and Dmitrašinović (2013, Phys. Rev. Lett., 110, 114301) found 13 new periodic orbits of a Newtonian planar three-body problem with equal mass. Recently, more than 600 new families of periodic orbits of triple systems with equal mass were found by Li and Liao (2017, Sci. China-Phys. Mech. Astron., 60, 129511). Here, we report 1349 new families of planar periodic orbits of the triple system where two bodies have the same mass and the other has a different mass. None of the families have ever been reported, except the famous "figure-eight" family. In particular, 1223 among these 1349 families are entirely new, i.e., with newly found "free group elements" that have been never reported, even for three-body systems with equal mass. It has been traditionally believed that triple systems are often unstable if they are non-hierarchical. However, all of our new periodic orbits are in non-hierarchical configurations, but many of them are either linearly or marginally stable. This might inspire the long-term astronomical observation of stable non-hierarchical triple systems in practice. In addition, using these new periodic orbits as initial guesses, new periodic orbits of triple systems with three unequal masses can be found by means of the continuation method, which is more general and thus should have practical meaning from an astronomical viewpoint.

Proton decoupling and recoupling under double-nutation irradiation in solid-state NMR

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

Takeda, Kazuyuki, E-mail: takezo@kuchem.kyoto-u.ac.jp; Wakisaka, Asato; Takegoshi, K.

The effect of {sup 1}H decoupling in magic-angle spinning solid-state NMR is studied under radiofrequency irradiation causing simultaneous nutations around a pair of orthogonal axes. Double-nutation with an arbitrary pair of nutation frequencies is implemented through modulation of the amplitude, phase, and frequency of the transmitting pulses. Similarity and difference of double-nutation decoupling and two-pulse phase-modulation decoupling schemes [A. E. Bennett, C. M. Rienstra, M. Auger, K. V. Lakshmi, and R. G. Griffin, J. Chem. Phys. 103, 6951–6958 (1995) and I. Scholz, P. Hodgkinson, B. H. Meier, and M. Ernst, J. Chem. Phys. 130, 114510 (2009)] are discussed. The structuremore » of recoupling bands caused by interference of the {sup 1}H spin nutation with sample spinning is studied by both experiments and numerical simulations.« less

Pair mobility functions for rigid spheres in concentrated colloidal dispersions: Force, torque, translation, and rotation

NASA Astrophysics Data System (ADS)

Zia, Roseanna N.; Swan, James W.; Su, Yu

2015-12-01

The formulation of detailed models for the dynamics of condensed soft matter including colloidal suspensions and other complex fluids requires accurate description of the physical forces between microstructural constituents. In dilute suspensions, pair-level interactions are sufficient to capture hydrodynamic, interparticle, and thermodynamic forces. In dense suspensions, many-body interactions must be considered. Prior analytical approaches to capturing such interactions such as mean-field approaches replace detailed interactions with averaged approximations. However, long-range coupling and effects of concentration on local structure, which may play an important role in, e.g., phase transitions, are smeared out in such approaches. An alternative to such approximations is the detailed modeling of hydrodynamic interactions utilizing precise couplings between moments of the hydrodynamic traction on a suspended particle and the motion of that or other suspended particles. For two isolated spheres, a set of these functions was calculated by Jeffrey and Onishi [J. Fluid Mech. 139, 261-290 (1984)] and Jeffrey [J. Phys. Fluids 4, 16-29 (1992)]. Along with pioneering work by Batchelor, these are the touchstone for low-Reynolds-number hydrodynamic interactions and have been applied directly in the solution of many important problems related to the dynamics of dilute colloidal dispersions [G. K. Batchelor and J. T. Green, J. Fluid Mech. 56, 375-400 (1972) and G. K. Batchelor, J. Fluid Mech. 74, 1-29 (1976)]. Toward extension of these functions to concentrated systems, here we present a new stochastic sampling technique to rapidly calculate an analogous set of mobility functions describing the hydrodynamic interactions between two hard spheres immersed in a suspension of arbitrary concentration, utilizing accelerated Stokesian dynamics simulations. These mobility functions provide precise, radially dependent couplings of hydrodynamic force and torque to particle translation and rotation, for arbitrary colloid volume fraction ϕ. The pair mobilities (describing entrainment of one particle by the disturbance flow created by another) decay slowly with separation distance: as 1/r, for volume fractions 0.05 ≤ ϕ ≤ 0.5. For the relative mobility, we find an initially rapid growth as a pair separates, followed by a slow, 1/r growth. Up to ϕ ≤ 0.4, the relative mobility does not reached the far-field value even beyond separations of many particle sizes. In the case of ϕ = 0.5, the far-field asymptote is reached but only at a separation of eight radii and after a slow 1/r growth. At these higher concentrations, the coefficients also reveal liquid-like structural effects on pair mobility at close separations. These results confirm that long-range many-body hydrodynamic interactions are an essential part of the dynamics of concentrated systems and that care must be taken when applying renormalization schemes.

Pair mobility functions for rigid spheres in concentrated colloidal dispersions: Force, torque, translation, and rotation.

PubMed

Zia, Roseanna N; Swan, James W; Su, Yu

2015-12-14

The formulation of detailed models for the dynamics of condensed soft matter including colloidal suspensions and other complex fluids requires accurate description of the physical forces between microstructural constituents. In dilute suspensions, pair-level interactions are sufficient to capture hydrodynamic, interparticle, and thermodynamic forces. In dense suspensions, many-body interactions must be considered. Prior analytical approaches to capturing such interactions such as mean-field approaches replace detailed interactions with averaged approximations. However, long-range coupling and effects of concentration on local structure, which may play an important role in, e.g., phase transitions, are smeared out in such approaches. An alternative to such approximations is the detailed modeling of hydrodynamic interactions utilizing precise couplings between moments of the hydrodynamic traction on a suspended particle and the motion of that or other suspended particles. For two isolated spheres, a set of these functions was calculated by Jeffrey and Onishi [J. Fluid Mech. 139, 261-290 (1984)] and Jeffrey [J. Phys. Fluids 4, 16-29 (1992)]. Along with pioneering work by Batchelor, these are the touchstone for low-Reynolds-number hydrodynamic interactions and have been applied directly in the solution of many important problems related to the dynamics of dilute colloidal dispersions [G. K. Batchelor and J. T. Green, J. Fluid Mech. 56, 375-400 (1972) and G. K. Batchelor, J. Fluid Mech. 74, 1-29 (1976)]. Toward extension of these functions to concentrated systems, here we present a new stochastic sampling technique to rapidly calculate an analogous set of mobility functions describing the hydrodynamic interactions between two hard spheres immersed in a suspension of arbitrary concentration, utilizing accelerated Stokesian dynamics simulations. These mobility functions provide precise, radially dependent couplings of hydrodynamic force and torque to particle translation and rotation, for arbitrary colloid volume fraction ϕ. The pair mobilities (describing entrainment of one particle by the disturbance flow created by another) decay slowly with separation distance: as 1/r, for volume fractions 0.05 ≤ ϕ ≤ 0.5. For the relative mobility, we find an initially rapid growth as a pair separates, followed by a slow, 1/r growth. Up to ϕ ≤ 0.4, the relative mobility does not reached the far-field value even beyond separations of many particle sizes. In the case of ϕ = 0.5, the far-field asymptote is reached but only at a separation of eight radii and after a slow 1/r growth. At these higher concentrations, the coefficients also reveal liquid-like structural effects on pair mobility at close separations. These results confirm that long-range many-body hydrodynamic interactions are an essential part of the dynamics of concentrated systems and that care must be taken when applying renormalization schemes.

Pair mobility functions for rigid spheres in concentrated colloidal dispersions: Force, torque, translation, and rotation

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

Zia, Roseanna N., E-mail: zia@cbe.cornell.edu; Su, Yu; Swan, James W.

2015-12-14

The formulation of detailed models for the dynamics of condensed soft matter including colloidal suspensions and other complex fluids requires accurate description of the physical forces between microstructural constituents. In dilute suspensions, pair-level interactions are sufficient to capture hydrodynamic, interparticle, and thermodynamic forces. In dense suspensions, many-body interactions must be considered. Prior analytical approaches to capturing such interactions such as mean-field approaches replace detailed interactions with averaged approximations. However, long-range coupling and effects of concentration on local structure, which may play an important role in, e.g., phase transitions, are smeared out in such approaches. An alternative to such approximations ismore » the detailed modeling of hydrodynamic interactions utilizing precise couplings between moments of the hydrodynamic traction on a suspended particle and the motion of that or other suspended particles. For two isolated spheres, a set of these functions was calculated by Jeffrey and Onishi [J. Fluid Mech. 139, 261–290 (1984)] and Jeffrey [J. Phys. Fluids 4, 16–29 (1992)]. Along with pioneering work by Batchelor, these are the touchstone for low-Reynolds-number hydrodynamic interactions and have been applied directly in the solution of many important problems related to the dynamics of dilute colloidal dispersions [G. K. Batchelor and J. T. Green, J. Fluid Mech. 56, 375–400 (1972) and G. K. Batchelor, J. Fluid Mech. 74, 1–29 (1976)]. Toward extension of these functions to concentrated systems, here we present a new stochastic sampling technique to rapidly calculate an analogous set of mobility functions describing the hydrodynamic interactions between two hard spheres immersed in a suspension of arbitrary concentration, utilizing accelerated Stokesian dynamics simulations. These mobility functions provide precise, radially dependent couplings of hydrodynamic force and torque to particle translation and rotation, for arbitrary colloid volume fraction ϕ. The pair mobilities (describing entrainment of one particle by the disturbance flow created by another) decay slowly with separation distance: as 1/r, for volume fractions 0.05 ≤ ϕ ≤ 0.5. For the relative mobility, we find an initially rapid growth as a pair separates, followed by a slow, 1/r growth. Up to ϕ ≤ 0.4, the relative mobility does not reached the far-field value even beyond separations of many particle sizes. In the case of ϕ = 0.5, the far-field asymptote is reached but only at a separation of eight radii and after a slow 1/r growth. At these higher concentrations, the coefficients also reveal liquid-like structural effects on pair mobility at close separations. These results confirm that long-range many-body hydrodynamic interactions are an essential part of the dynamics of concentrated systems and that care must be taken when applying renormalization schemes.« less

[Book review] Role of the wolf in a deer decline in the Superior National Forest, by L. David Mech and Patrick D. Karns

USGS Publications Warehouse

Greenwood, R.J.

1979-01-01

Review of: Role of the Wolf in a Deer Decline in the Superior National Forest. Volume 148 of USDA Forest Service Research Paper. L. David Mech and Patrick D. Karns. North Central Forest Experiment Station, Forest Service, United States Department of Agriculture, 1977. 23 pages.

First Solid-state Cooling Below 100K

DTIC Science & Technology

2015-03-13

Seth Melgaard, Denis Seletskiy, Alexander Albrecht, and Mansoor Sheik- Bahae Advances in material purity and laser light absorption offer new possi...all- solid-state cryocooler. Denis Seletskiy University of Konstanz Konstanz, Germany Alexander Albrecht and Mansoor Sheik- Bahae University of New...Unterschied von Lumineszenz- und Tem- peraturstrahlung, Z. Phys. 57, p. 739, 1929. 3. R. I . Epstein,M. I . Buchwald, B. C. Edwards, T. R. Gosnell, and

Consistent nonlinear deterministic and stochastic evolution equations for deep to shallow water wave shoaling

NASA Astrophysics Data System (ADS)

Vrecica, Teodor; Toledo, Yaron

2015-04-01

One-dimensional deterministic and stochastic evolution equations are derived for the dispersive nonlinear waves while taking dissipation of energy into account. The deterministic nonlinear evolution equations are formulated using operational calculus by following the approach of Bredmose et al. (2005). Their formulation is extended to include the linear and nonlinear effects of wave dissipation due to friction and breaking. The resulting equation set describes the linear evolution of the velocity potential for each wave harmonic coupled by quadratic nonlinear terms. These terms describe the nonlinear interactions between triads of waves, which represent the leading-order nonlinear effects in the near-shore region. The equations are translated to the amplitudes of the surface elevation by using the approach of Agnon and Sheremet (1997) with the correction of Eldeberky and Madsen (1999). The only current possibility for calculating the surface gravity wave field over large domains is by using stochastic wave evolution models. Hence, the above deterministic model is formulated as a stochastic one using the method of Agnon and Sheremet (1997) with two types of stochastic closure relations (Benney and Saffman's, 1966, and Hollway's, 1980). These formulations cannot be applied to the common wave forecasting models without further manipulation, as they include a non-local wave shoaling coefficients (i.e., ones that require integration along the wave rays). Therefore, a localization method was applied (see Stiassnie and Drimer, 2006, and Toledo and Agnon, 2012). This process essentially extracts the local terms that constitute the mean nonlinear energy transfer while discarding the remaining oscillatory terms, which transfer energy back and forth. One of the main findings of this work is the understanding that the approximated non-local coefficients behave in two essentially different manners. In intermediate water depths these coefficients indeed consist of rapidly oscillating terms, but as the water depth becomes shallow they change to an exponential growth (or decay) behavior. Hence, the formerly used localization technique cannot be justified for the shallow water region. A new formulation is devised for the localization in shallow water, it approximates the nonlinear non-local shoaling coefficient in shallow water and matches it to the one fitting to the intermediate water region. This allows the model behavior to be consistent from deep water to intermediate depths and up to the shallow water regime. Various simulations of the model were performed for the cases of intermediate, and shallow water, overall the model was found to give good results in both shallow and intermediate water depths. The essential difference between the shallow and intermediate nonlinear shoaling physics is explained via the dominating class III Bragg resonances phenomenon. By inspecting the resonance conditions and the nature of the dispersion relation, it is shown that unlike in the intermediate water regime, in shallow water depths the formation of resonant interactions is possible without taking into account bottom components. References Agnon, Y. & Sheremet, A. 1997 Stochastic nonlinear shoaling of directional spectra. J. Fluid Mech. 345, 79-99. Benney, D. J. & Saffman, P. G. 1966 Nonlinear interactions of random waves. Proc. R. Soc. Lond. A 289, 301-321. Bredmose, H., Agnon, Y., Madsen, P.A. & Schaffer, H.A. 2005 Wave transformation models with exact second-order transfer. European J. of Mech. - B/Fluids 24 (6), 659-682. Eldeberky, Y. & Madsen, P. A. 1999 Deterministic and stochastic evolution equations for fully dispersive and weakly nonlinear waves. Coastal Engineering 38, 1-24. Kaihatu, J. M. & Kirby, J. T. 1995 Nonlinear transformation of waves in infinite water depth. Phys. Fluids 8, 175-188. Holloway, G. 1980 Oceanic internal waves are not weak waves. J. Phys. Oceanogr. 10, 906-914. Stiassnie, M. & Drimer, N. 2006 Prediction of long forcing waves for harbor agitation studies. J. of waterways, port, coastal and ocean engineering 132(3), 166-171. Toledo, Y. & Agnon, Y. 2012 Stochastic evolution equations with localized nonlinear shoaling coefficients. European J. of Mech. - B/Fluids 34, 13-18.

Screened hybrid density functionals for solid-state chemistry and physics.

PubMed

Janesko, Benjamin G; Henderson, Thomas M; Scuseria, Gustavo E

2009-01-21

Density functional theory incorporating hybrid exchange-correlation functionals has been extraordinarily successful in providing accurate, computationally tractable treatments of molecular properties. However, conventional hybrid functionals can be problematic for solids. Their nonlocal, Hartree-Fock-like exchange term decays slowly and incorporates unphysical features in metals and narrow-bandgap semiconductors. This article provides an overview of our group's work on designing hybrid functionals for solids. We focus on the Heyd-Scuseria-Ernzerhof screened hybrid functional [J. Chem. Phys. 2003, 118, 8207], its applications to the chemistry and physics of solids and surfaces, and our efforts to build upon its successes.

The kinetics and mechanism of nanoconfined molten salt reactions: trimerization of potassium and rubidium dicyanamide.

PubMed

Yancey, Benjamin; Vyazovkin, Sergey

2015-04-21

This study highlights the effect of the aggregate state of a reactant on the reaction kinetics under the conditions of nanoconfinement. Our previous work (Phys. Chem. Chem. Phys., 2014, 16, 11409) has demonstrated considerable deceleration of the solid state trimerization of sodium dicyanamide in organically modified silica nanopores. In the present study we use FTIR, NMR, pXRD, TGA and DSC to analyze the kinetics and mechanism of the liquid state trimerization of potassium and rubidium dicyanamide under similar conditions of nanoconfinement. It is found that nanoconfinement accelerates dramatically the kinetics of the liquid state trimerization, whereas it does not appear to affect the reaction mechanism. Kinetic analysis indicates that the acceleration is associated with an increase in the preexponential factor. Although nanoconfinement has the opposite effects on the respective kinetics of solid and liquid state trimerization, both effects are linked to a change in the preexponential factor. The results obtained are consistent with our hypothesis that the effects differ because nanoconfinement may promote disordering of the solid and ordering of the liquid reaction media.

Optical Cooling in Er3+:KPb2Cl5

DTIC Science & Technology

2009-01-01

and C. .E. Mungan, “Observation of laser- induced fluorescent cooling of a solid,” Nature 377, 500-503 (1995). 4. C. W. Hoyt, M. Sheik- Bahae , R. I ...cooling by spontaneous anti-Stokes scattering,” Phys. Rev. Lett. 46, 236-239 (1981). 3. R. I . Epstein, M. I . Buchwald, B. C. Edwards, T. R. Gosnell...2000). 5. S. R. Bowman and C. E. Mungan, “New materials for optical cooling,” Appl. Phys. B 71, 807-811 (2000). 6. R. I . Epstein, J. J. Brown, B. C

Thermophysical Properties of Matter - The TPRC Data Series. Volume 8. Thermal Radiative Properties - Nonmetallic Solids

DTIC Science & Technology

1972-01-01

Nauk SSSR, Neorg. Mater.. 3(11). 2098-2100, 1967). Tomiki. T.. "Optical Constants and Exciton States in KC1 Single Crystals . I. The Low Temperature...Properties," J. Phys. Soc. Japan. 22(2). 463-87. 1967. Tomiki, T.. "Optical Constants and Exciton States in KC1 Single Crystals . II. The Spectra of...158 50974 Miyata, T. and Tomiki, T., "The Urbach Tails and Reflection Spectra of NaCl Single Crystals ," J. Phys. Soc. Japan, 22(1), 209-18, 1967

Piezoelectric and Electrostrictive Materials for Transducer Applications. Volume 2.

DTIC Science & Technology

1988-03-01

Dariington, J. Appi. Phys. 43, 4951 (1972).I 17Z. Ujina and J. Handerek, Acta Physica Polonica A53, 665 (1978). 18Z. Q. Zhuang, M. J. Haun, S. J...Solution System. Part V: Theoretical Calculations." J. Appi. Phys. (submritted). 5 A. M. Glazer, S. A. Mabud, and R. Clarke, Acta Cryst. B34, 1060 (1978...Clarke, Acta Cryst.. B34, 1060 (1978). 12A. Amrin. R. E. Newham, and L. E. Cross, J. Solid State Chemissry 37, 248 (198 1). 13 M. j. Haun, E

JPRS Report, Science & Technology, Japan, Powder Metallurgy Technology

DTIC Science & Technology

1988-12-13

100 mO« 132 Hz i i i i -K H JL x’ c-p’an« (film) ! f • j 0 60 70 M TOO 90 1C Figure 3. Real and...necessary to develop a new manufacturing process focusing on the control of grain orientation. References 1. M . Okada, et al., Jpn. J. Appl. Phys. 27...Tc drops as the amount of Sr added is increased. References 1. M . Oda, et al., Jpn. J. Phys., 26, L804, 1987. 2. Z. Qi-rui, et al., Solid State

A Neutron and X-Ray Diffraction Study of Ca-Mg-Cu Metallic Glasses (Postprint)

DTIC Science & Technology

2014-04-01

North DM. Phys Chem Liq 1968;1:1. [25] Wright AC. J Non-Cryst Solids 1989;112:33. [26] Patterson AL. Z Kristallogr 1935;90:517. [27] Soper AK. J Phys...PJ, Cundall JA. Acta Cryst 1965;19:807. [31] Hannon AC. Nucl Instrum Meth A 2005;551:88. [32] Soper AK. Gudrun software, http://www.isis.stfc.ac.uk...instruments/sandals/ data-analysis/gudrun8864.html. [33] Hannon AC, Howells WS, Soper AK. IOP Conf Ser 1990;107:193. [34] Soper AK. GudrunX software

Efficient excitation of nonlinear phonons via chirped pulses: Induced structural phase transitions

NASA Astrophysics Data System (ADS)

Itin, A. P.; Katsnelson, M. I.

2018-05-01

Nonlinear phononics play important role in strong laser-solid interactions. We discuss a dynamical protocol for efficient phonon excitation, considering recent inspiring proposals: inducing ferroelectricity in paraelectric perovskites, and inducing structural deformations in cuprates [Subedi et al., Phys. Rev. B 89, 220301(R) (2014), 10.1103/PhysRevB.89.220301; Phys. Rev. B 95, 134113 (2017), 10.1103/PhysRevB.95.134113]. High-frequency phonon modes are driven by midinfrared pulses, and coupled to lower-frequency modes those indirect excitations cause structural deformations. We study in more detail the case of KTaO3 without strain, where it was not possible to excite the needed low-frequency phonon mode by resonant driving of the higher frequency one. Behavior of the system is explained using a reduced model of coupled driven nonlinear oscillators. We find a dynamical mechanism which prevents effective excitation at resonance driving. To induce ferroelectricity, we employ driving with sweeping frequency, realizing so-called capture into resonance. The method can be applied to many other related systems.

Nanosystems in ultrafast and superstrong fields: attosecond phenomena (Conference Presentation)

NASA Astrophysics Data System (ADS)

Stockman, Mark I.

2017-02-01

We present our latest results for a new class of phenomena in condensed matter nanooptics when a strong optical field ˜1-3 V/Å changes a solid within optical cycle [1-8]. Such a pulse drives ampere-scale currents in dielectrics and adiabatically controls their properties, including optical absorption and reflection, extreme UV absorption, and generation of high harmonics [9] in a non-perturbative manner on a 100-as temporal scale. Applied to a metal, such a pulse causes an instantaneous and, potentially, reversible change from the metallic to semimetallic properties. We will also discuss our latest theoretical results on graphene that in a strong ultrashort pulse field exhibits unique behavior [10-12]. New phenomena are predicted for buckled two-dimensional solids, silicene and germanene [13]. These are fastest phenomena in optics unfolding within half period of light. They offer potential for petahertz-bandwidth signal processing, generation of high harmonics on a nanometer spatial scale, etc. References 1. M. Durach, A. Rusina, M. F. Kling, and M. I. Stockman, Metallization of Nanofilms in Strong Adiabatic Electric Fields, Phys. Rev. Lett. 105, 086803-1-4 (2010). 2. M. Durach, A. Rusina, M. F. Kling, and M. I. Stockman, Predicted Ultrafast Dynamic Metallization of Dielectric Nanofilms by Strong Single-Cycle Optical Fields, Phys. Rev. Lett. 107, 086602-1-5 (2011). 3. A. Schiffrin, T. Paasch-Colberg, N. Karpowicz, V. Apalkov, D. Gerster, S. Muhlbrandt, M. Korbman, J. Reichert, M. Schultze, S. Holzner, J. V. Barth, R. Kienberger, R. Ernstorfer, V. S. Yakovlev, M. I. Stockman, and F. Krausz, Optical-Field-Induced Current in Dielectrics, Nature 493, 70-74 (2013). 4. M. Schultze, E. M. Bothschafter, A. Sommer, S. Holzner, W. Schweinberger, M. Fiess, M. Hofstetter, R. Kienberger, V. Apalkov, V. S. Yakovlev, M. I. Stockman, and F. Krausz, Controlling Dielectrics with the Electric Field of Light, Nature 493, 75-78 (2013). 5. V. Apalkov and M. I. Stockman, Metal Nanofilm in Strong Ultrafast Optical Fields, Phys. Rev. B 88, 245438-1-7 (2013). 6. V. Apalkov and M. I. Stockman, Theory of Dielectric Nanofilms in Strong Ultrafast Optical Fields, Phys. Rev. B 86, 165118-1-13 (2012). 7. F. Krausz and M. I. Stockman, Attosecond Metrology: From Electron Capture to Future Signal Processing, Nat. Phot. 8, 205-213 (2014). 8. O. Kwon, T. Paasch-Colberg, V. Apalkov, B.-K. Kim, J.-J. Kim, M. I. Stockman, and D. E. Kim, Semimetallization of Dielectrics in Strong Optical Fields, Sci. Rep, 6, 21272-1-9 (2016). 9. T. Higuchi, M. I. Stockman, and P. Hommelhoff, Strong-Field Perspective on High-Harmonic Radiation from Bulk Solids, Phys. Rev. Lett. 113, 213901-1-5 (2014). 10. H. K. Kelardeh, V. Apalkov, and M. I. Stockman, Wannier-Stark States of Graphene in Strong Electric Field, Phys. Rev. B 90, 085313-1-11 (2014). 11. H. K. Kelardeh, V. Apalkov, and M. I. Stockman, Graphene in Ultrafast and Superstrong Laser Fields, Phys. Rev. B 91, 0454391-8 (2015). 12. H. K. Kelardeh, V. Apalkov, and M. I. Stockman, Attosecond Strong-Field Interferometry in Graphene: Chirality, Singularity, and Berry Phase, Phys. Rev. B 93, 155434-1-7 (2016). 13. H. K. Kelardeh, V. Apalkov, and M. I. Stockman, Ultrafast Field Control of Symmetry, Reciprocity, and Reversibility in Buckled Graphene-Like Materials, Phys. Rev. B 92, 045413-1-9 (2015).

Mass removal modes in the laser ablation of silicon by a Q-switched diode-pumped solid-state laser (DPSSL)

NASA Astrophysics Data System (ADS)

Lim, Daniel J.; Ki, Hyungson; Mazumder, Jyoti

2006-06-01

A fundamental study on the Q-switched diode-pumped solid-state laser interaction with silicon was performed both experimentally and numerically. Single pulse drilling experiments were conducted on N-type silicon wafers by varying the laser intensity from 108-109 W cm-2 to investigate how the mass removal mechanism changes depending on the laser intensity. Hole width and depth were measured and surface morphology was studied using scanning electron microscopy. For the numerical model study, Ki et al's self-consistent continuous-wave laser drilling model (2001 J. Phys. D: Appl. Phys. 34 364-72) was modified to treat the solidification phenomenon between successive laser pulses. The model has the capabilities of simulating major interaction physics, such as melt flow, heat transfer, evaporation, homogeneous boiling, multiple reflections and surface evolution. This study presents some interesting results on how the mass removal mode changes as the laser intensity increases.

Molecular simulation of small Knudsen number flows

NASA Astrophysics Data System (ADS)

Fei, Fei; Fan, Jing

2012-11-01

The direct simulation Monte Carlo (DSMC) method is a powerful particle-based method for modeling gas flows. It works well for relatively large Knudsen (Kn) numbers, typically larger than 0.01, but quickly becomes computationally intensive as Kn decreases due to its time step and cell size limitations. An alternative approach was proposed to relax or remove these limitations, based on replacing pairwise collisions with a stochastic model corresponding to the Fokker-Planck equation [J. Comput. Phys., 229, 1077 (2010); J. Fluid Mech., 680, 574 (2011)]. Similar to the DSMC method, the downside of that approach suffers from computationally statistical noise. To solve the problem, a diffusion-based information preservation (D-IP) method has been developed. The main idea is to track the motion of a simulated molecule from the diffusive standpoint, and obtain the flow velocity and temperature through sampling and averaging the IP quantities. To validate the idea and the corresponding model, several benchmark problems with Kn ˜ 10-3-10-4 have been investigated. It is shown that the IP calculations are not only accurate, but also efficient because they make possible using a time step and cell size over an order of magnitude larger than the mean collision time and mean free path, respectively.

On the flux of fluctuation energy in a collisional grain flow at a flat, frictional wall

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

Jenkins, J.T.; Louge, M.Y.

We consider a flow of colliding spheres that interacts with a flat, frictional wall and calculate the flux of fluctuation energy in two limits. In the first limit, all spheres slide upon contact with the wall. Here, we refine the calculations of Jenkins [J. Appl. Mech. {bold 59}, 120 (1992)] and show that a correlation between two orthogonal components of the fluctuation velocity of the point of contact of the grains with the wall provides a substantial correction to the flux originally predicted. In the other limit, the granular material is agitated but the mean velocity of the contact pointsmore » with respect to the wall is zero and Jenkins{close_quote} earlier calculation is improved by distinguishing between those contacts that slide in a collision and those that stick. The new expressions for the flux agree well with the computer simulations of Louge [Phys. Fluids {bold 6}, 2253 (1994)]. Finally, we extend the expression for zero mean sliding to incorporate small sliding and obtain an approximate expression for the flux between the two limits. {copyright} {ital 1997 American Institute of Physics.}« less

Elasticity of fluorite at high temperatures

NASA Astrophysics Data System (ADS)

Eke, J.; Tennakoon, S.; Mookherjee, M.

2017-12-01

Fluorite (CaF2) is a simple halide with cubic space group symmetry (Fm-3m) and is often used as an internal pressure calibrant in moderate high-pressure/high-temperature experiments [1]. In order to gain insight into the elastic behavior of fluorite, we have conducted Resonant Ultrasound Spectroscopy (RUS) on a single crystal of fluorite with rectangular parallelepiped geometry. Using single crystal X-ray diffraction, we aligned the edges of the rectangular parallelepiped with [-1 1 1], [-1 1 -2], and [-1 -1 0] crystallographic directions. We conducted the RUS measurements up to 620 K. RUS spectra are influenced by the geometry, density, and the full elastic moduli tensor of the material. In our high-temperature RUS experiments, the geometry and density were constrained using thermal expansion from previous studies [2]. We determined the elasticity by minimizing the difference between observed resonance and calculated Eigen frequency using Rayleigh-Ritz method [3]. We found that at room temperature, the single crystal elastic moduli for fluorite are 170, 49, and 33 GPa for C11, C12, and C44 respectively. At room temperatures, the aggregate bulk modulus (K) is 90 GPa and the shear modulus (G) is 43 GPa. We note that the elastic moduli and sound wave velocities decrease linearly as a function of temperature with dVP /dT and dVS /dT being -9.6 ×10-4 and -5.0 ×10-4 km/s/K respectively. Our high-temperature RUS results are in good agreement with previous studies on fluorite using both Ultrasonic methods and Brillouin scattering [4,5]. Acknowledgement: This study is supported by US NSF awards EAR-1639552 and EAR-1634422. References: [1] Speziale, S., Duffy, T. S. 2002, Phys. Chem. Miner., 29, 465-472; [2] Roberts, R. B., White, G. K., 1986, J. Phys. C: Solid State Phys., 19, 7167-7172. [3] Migliori, A., Maynard, J. D., 2005, Rev. Sci. Instrum., 76, 121301. [4] Catlow, C. R. A., Comins, J. D., Germano, F. A., Harley, R. T., Hayes, W., 1978, J. Phys. C Solid State Phys., 11, 3197; [5] Jones, L. E. A., 1977, Phys. Earth Planet. Inter., 15(1), 77-89.

Extracting material response from simple mechanical tests on hardening-softening-hardening viscoplastic solids

NASA Astrophysics Data System (ADS)

Mohan, Nisha

Compliant foams are usually characterized by a wide range of desirable mechanical properties. These properties include viscoelasticity at different temperatures, energy absorption, recoverability under cyclic loading, impact resistance, and thermal, electrical, acoustic and radiation-resistance. Some foams contain nano-sized features and are used in small-scale devices. This implies that the characteristic dimensions of foams span multiple length scales, rendering modeling their mechanical properties difficult. Continuum mechanics-based models capture some salient experimental features like the linear elastic regime, followed by non-linear plateau stress regime. However, they lack mesostructural physical details. This makes them incapable of accurately predicting local peaks in stress and strain distributions, which significantly affect the deformation paths. Atomistic methods are capable of capturing the physical origins of deformation at smaller scales, but suffer from impractical computational intensity. Capturing deformation at the so-called meso-scale, which is capable of describing the phenomenon at a continuum level, but with some physical insights, requires developing new theoretical approaches. A fundamental question that motivates the modeling of foams is `how to extract the intrinsic material response from simple mechanical test data, such as stress vs. strain response?' A 3D model was developed to simulate the mechanical response of foam-type materials. The novelty of this model includes unique features such as the hardening-softening-hardening material response, strain rate-dependence, and plastically compressible solids with plastic non-normality. Suggestive links from atomistic simulations of foams were borrowed to formulate a physically informed hardening material input function. Motivated by a model that qualitatively captured the response of foam-type vertically aligned carbon nanotube (VACNT) pillars under uniaxial compression [2011,"Analysis of Uniaxial Compression of Vertically Aligned Carbon Nanotubes," J. Mech.Phys. Solids, 59, pp. 2227--2237, Erratum 60, 1753-1756 (2012)], the property space exploration was advanced to three types of simple mechanical tests: 1) uniaxial compression, 2) uniaxial tension, and 3) nanoindentation with a conical and a flat-punch tip. The simulations attempt to explain some of the salient features in experimental data, like 1) The initial linear elastic response. 2) One or more nonlinear instabilities, yielding, and hardening. The model-inherent relationships between the material properties and the overall stress-strain behavior were validated against the available experimental data. The material properties include the gradient in stiffness along the height, plastic and elastic compressibility, and hardening. Each of these tests was evaluated in terms of their efficiency in extracting material properties. The uniaxial simulation results proved to be a combination of structural and material influences. Out of all deformation paths, flat-punch indentation proved to be superior since it is the most sensitive in capturing the material properties.

Sliding and Debonding Inclusions

DTIC Science & Technology

1988-08-15

19 124 List of Publications Published under ARO StonsorshiD during this period 1. R.R. Castles and T. Mura, The analysis of eigenstrains outside of an...slippding interface, J. Aonl. Mech., 53 (1986) 103- 107. 12. N. Kinoshita and T. Mura, An ellipsoidal inclusion with polynomial eigenstrains , Quart...Theory and application of harmonic eigenstrains , O.J.Mech. ADDl Math., 40 (1987) 169-188. 20. T. Mura, The eigenstrains method applied to fracture

Simulation of breaking waves using the high-order spectral method with laboratory experiments: wave-breaking energy dissipation

NASA Astrophysics Data System (ADS)

Seiffert, Betsy R.; Ducrozet, Guillaume

2018-01-01

We examine the implementation of a wave-breaking mechanism into a nonlinear potential flow solver. The success of the mechanism will be studied by implementing it into the numerical model HOS-NWT, which is a computationally efficient, open source code that solves for the free surface in a numerical wave tank using the high-order spectral (HOS) method. Once the breaking mechanism is validated, it can be implemented into other nonlinear potential flow models. To solve for wave-breaking, first a wave-breaking onset parameter is identified, and then a method for computing wave-breaking associated energy loss is determined. Wave-breaking onset is calculated using a breaking criteria introduced by Barthelemy et al. (J Fluid Mech https://arxiv.org/pdf/1508.06002.pdf, submitted) and validated with the experiments of Saket et al. (J Fluid Mech 811:642-658, 2017). Wave-breaking energy dissipation is calculated by adding a viscous diffusion term computed using an eddy viscosity parameter introduced by Tian et al. (Phys Fluids 20(6): 066,604, 2008, Phys Fluids 24(3), 2012), which is estimated based on the pre-breaking wave geometry. A set of two-dimensional experiments is conducted to validate the implemented wave breaking mechanism at a large scale. Breaking waves are generated by using traditional methods of evolution of focused waves and modulational instability, as well as irregular breaking waves with a range of primary frequencies, providing a wide range of breaking conditions to validate the solver. Furthermore, adjustments are made to the method of application and coefficient of the viscous diffusion term with negligible difference, supporting the robustness of the eddy viscosity parameter. The model is able to accurately predict surface elevation and corresponding frequency/amplitude spectrum, as well as energy dissipation when compared with the experimental measurements. This suggests the model is capable of calculating wave-breaking onset and energy dissipation successfully for a wide range of breaking conditions. The model is also able to successfully calculate the transfer of energy between frequencies due to wave focusing and wave breaking. This study is limited to unidirectional waves but provides a valuable basis for future application of the wave-breaking model to a multidirectional wave field. By including parameters for removing energy due to wave-breaking into a nonlinear potential flow solver, the risk of developing numerical instabilities due to an overturning wave is decreased, thereby increasing the application range of the model, including calculating more extreme sea states. A computationally efficient and accurate model for the generation of a nonlinear random wave field is useful for predicting the dynamic response of offshore vessels and marine renewable energy devices, predicting loads on marine structures, and in the study of open ocean wave generation and propagation in a realistic environment.

Simulation of spiral instabilities in wide-gap spherical Couette flow

NASA Astrophysics Data System (ADS)

Abbas, Suhail; Yuan, Li; Shah, Abdullah

2018-04-01

We numerically study the wide-gap spherical Couette flow between two concentric spheres with the inner sphere rotating and the outer one stationary. Two wide-gap clearance ratios, β =({R}2-{R}1)/{R}1=0.33 and 0.50, are chosen to investigate the transition scenarios of the spiral instabilities with increasing Reynolds number ({{Re}}). For β =0.33, we first obtain the steady 1-vortex flow at {{Re}} = 700 by using the 1-vortex flow for a medium gap β =0.18 at {{Re}} = 700 as the initial condition. The 1-vortex flow for β =0.33 exists for {Re} \\in [450,2050] and it collapses back to the basic flow when {Re} > 2050. We then detect spiral instabilities by increasing the Reynolds number gradually. The basic flow becomes unstable at {{Re}}{{c}1} = 2900 where spiral waves of wavenumber m = 6 appear first. Increasing the Reynolds number further, the wavenumber decreases to 5 and 4 at {{Re}}{{c}2} = 3000 and {{Re}}{{c}3} = 4000 respectively. The flow becomes turbulent when {Re} > 4500. For β =0.50, no Taylor vortices are found. The basic flow becomes unstable at {{Re}}{{c}1} = 1280 where spiral waves of wavenumber m = 5 occur first. As the Reynolds number is increased, the wavenumber becomes 4 at {{Re}}{{c}2} = 1700, 5 again at {{Re}}{{c}3} = 1800, 4 at {{Re}}{{c}4} = 2000, and becomes 3 at {{Re}}{{c}5} = 2200 while the flow becomes turbulent for {Re} > 2200. The computed rotational frequencies as a function of the Reynolds number for spiral waves of wavenumber m = 5, 4 and 3 are in good agreement with previous experimental results. The present transition scenario of the spiral wavenumber with increasing Reynolds number for β =0.33 is the same as that of Egbers and Rath (1995 Acta Mech. 111 125-40), while for β =0.50, it is only partially similar to those of Wulf et al (1999 Phys. Fluids 11 1359-72) and Egbers and Rath (1995 Acta Mech. 111 125-40).

Travelling-wave amplitudes as solutions of the phase-field crystal equation

NASA Astrophysics Data System (ADS)

Nizovtseva, I. G.; Galenko, P. K.

2018-01-01

The dynamics of the diffuse interface between liquid and solid states is analysed. The diffuse interface is considered as an envelope of atomic density amplitudes as predicted by the phase-field crystal model (Elder et al. 2004 Phys. Rev. E 70, 051605 (doi:10.1103/PhysRevE.70.051605); Elder et al. 2007 Phys. Rev. B 75, 064107 (doi:10.1103/PhysRevB.75.064107)). The propagation of crystalline amplitudes into metastable liquid is described by the hyperbolic equation of an extended Allen-Cahn type (Galenko & Jou 2005 Phys. Rev. E 71, 046125 (doi:10.1103/PhysRevE.71.046125)) for which the complete set of analytical travelling-wave solutions is obtained by the method (Malfliet & Hereman 1996 Phys. Scr. 15, 563-568 (doi:10.1088/0031-8949/54/6/003); Wazwaz 2004 Appl. Math. Comput. 154, 713-723 (doi:10.1016/S0096-3003(03)00745-8)). The general solution of travelling waves is based on the function of hyperbolic tangent. Together with its set of particular solutions, the general solution is analysed within an example of specific task about the crystal front invading metastable liquid (Galenko et al. 2015 Phys. D 308, 1-10 (doi:10.1016/j.physd.2015.06.002)). The influence of the driving force on the phase-field profile, amplitude velocity and correlation length is investigated for various relaxation times of the gradient flow. This article is part of the theme issue `From atomistic interfaces to dendritic patterns'.

Technology and Application of Indium Phosphide and Related Semiconductors

DTIC Science & Technology

1989-03-01

Application and Insertion, GED-L 80/84-9, Oct 1984 1.2: M. Y. Yen , B. F. Levine, C. G. Bethea, K. K. Choi, and A. Y. Cho, Appl. Phys. Lett. 50 (1987) 927...Schlachetzki, Solid-State Electron. 28 (1985) 299 40 IV,A,5: F. B. Fank, J. D. Crowley, and J. J. Berenz, Microwave Journal, June 1979, p. 86 IV,A.6...Ser. 79 (1986) 703 IV,CIb.6: N. K. Dutta, S. G. Napholtz, R. Yen , R. L. Brown, T. M. Shen, N. A. Olsson, and D. C. Craft, Appl. Phys. Lett. 46 (1985

Computation and Modeling of Insect Flight

DTIC Science & Technology

2005-08-23

Andersen, U. Pesavento , and Z. J. Wang, J. Fluid Mech., 2005. A. Andersen, U. Pesavento , and Z. J. Wang, J. Fluid Mech., 2005. U, Pasavento and Z. J...Wang (P.I.) "* Umberto Pesavento , PhD Physics (2005), Cornell University "* Anders Andersen, 2002-2005, Postdoctoral Fellow "* Sheng Xu, 2003-2006...press. 3. Anders Andersen, Umberto Pesavento , and Z. Jane Wang, ’Unsteady Aerodynamics of Fluttering and Tumbling Plates’, Journal of Fluid Mechanics

The First Robotics Rocket City Regional Competition

NASA Image and Video Library

2018-03-16

Johnny Stephenson, director of NASA Marshall Space Flight Center's Office of Strategic Analysis & Communications, addresses the crowd during the March 16 award ceremony following the first day of competition at the FIRST Robotics Rocket City Regional at the Von Braun Center in Huntsville. Ed Sparks, of the Morgan County Mech Tech team, received the award for Volunteer of the Year at the March 16 award ceremony. Mech Tech, comprised of students from five high schools in Morgan County, Alabama, also won the Industrial Design Award. The team was one of three regional finalists that will advance to the FIRST national championships April 18-21 in Houston. The other two regional finalists were Burning Magnetos of Fort Dorchester High School in North Charleston, South Carolina, and OGRE of Opelika High School in Opelika, Alabama. Mech Tech and Golden Hurricane from Columbia High School in Huntsville, were "house" teams sponsored by Marshall.

Dissipative Particle Dynamics at Isoenthalpic Conditions Using Shardlow-Like Splitting Algorithms

DTIC Science & Technology

2013-09-01

dd 11 d d ,...,1d 11 2 d 2 1 d dd dlnd ,...,1d1 dddd ddd ij 2 2 2...t W p t m ij i f C iji i i i i dd dlnd d1dd ddd                      pFp r p r  Ni ,...,1 , (10) while the fluctuation...pp rr v r p dd ddd             (11a) 6 j ji i i- j i- ji- j i- j mech,i j i i j mech,i j mech,i j j i 1 u 2 2m 2m u u d d d

Finite-thickness effects on the Rayleigh-Taylor instability in accelerated elastic solids

NASA Astrophysics Data System (ADS)

Piriz, S. A.; Piriz, A. R.; Tahir, N. A.

2017-05-01

A physical model has been developed for the linear Rayleigh-Taylor instability of a finite-thickness elastic slab laying on top of a semi-infinite ideal fluid. The model includes the nonideal effects of elasticity as boundary conditions at the top and bottom interfaces of the slab and also takes into account the finite transit time of the elastic waves across the slab thickness. For Atwood number AT=1 , the asymptotic growth rate is found to be in excellent agreement with the exact solution [Plohr and Sharp, Z. Angew. Math. Mech. 49, 786 (1998), 10.1007/s000330050121], and a physical explanation is given for the reduction of the stabilizing effectiveness of the elasticity for the thinner slabs. The feedthrough factor is also calculated.

Dynamics of the Rydberg state population of slow highly charged ions impinging a solid surface at arbitrary collision geometry

NASA Astrophysics Data System (ADS)

Nedeljković, N. N.; Majkić, M. D.; Božanić, D. K.; Dojčilović, R. J.

2016-06-01

We consider the population dynamics of the intermediate Rydberg states of highly charged ions (core charge Z\\gg 1, principal quantum number {n}{{A}}\\gg 1) interacting with solid surfaces at arbitrary collision geometry. The recently developed resonant two-state vector model for the grazing incidence (2012 J. Phys. B: At. Mol. Opt. Phys. 45 215202) is extended to the quasi-resonant case and arbitrary angle of incidence. According to the model, the population probabilities depend both on the projectile parallel and perpendicular velocity components, in a complementary way. A cascade neutralization process for {{{Xe}}}Z+ ions, for Z=15{--}45, interacting with a conductive-surface is considered by taking into account the population dynamics. For an arbitrary collision geometry and given range of ionic velocities, a micro-staircase model for the simultaneous calculation of the kinetic energy gain and the charge state of the ion in front of the surface is proposed. The relevance of the obtained results for the explanation of the formation of nanostructures on solid surfaces by slow highly charged ions for normal incidence geometry is briefly discussed.

High School Physics Teacher Outreach Programs at California State University Long Beach

NASA Astrophysics Data System (ADS)

Kwon, Chuhee; Pickett, Galen; Henriques, Laura

2013-03-01

One of the goals of the CSULB PhysTEC project has been to establish a physics teaching community that partners CSULB faculty, high school teachers, pre-service teachers, and physics students. In two years, we have created a solid sustainable Physics Teacher Network with local high school teachers. We will discuss the successful outreach programs for high school physics teachers at CSULB and the detailed logistics. Teacher-In-Residence (TIR), high school physics teachers working with the CSULB PhysTEC team, has provided invaluable input for designing and implementing outreach events. The department organizes biannual open house for local high school teachers and their students. The open house event is attended by pre-service teachers, physics undergraduate and graduate students, and faculty. We also host the monthly demo-sharing day that physics teachers bring and share topical demos, which has about 30 - 50 attendees each month. The CSULB PhysTEC project also distributes a monthly newsletter for local physics teachers with upcoming events and information about teaching, and this newsletter is organized and written by TIR. This work is supported by the PhysTEC grant.

Measurements of the Diameter and Velocity Distributions of Atomized Tablet-Coating Solutions for Pharmaceutical Applications

NASA Astrophysics Data System (ADS)

Osterday, Kathryn; Aliseda, Alberto; Lasheras, Juan

2009-11-01

The atomization of colloidal suspensions is of particular interest to the manufacturing of tablets and pills used as drug delivery systems by the pharmaceutical industry. At various stages in the manufacturing process, the tablets are coated with a spray of droplets produced by co-axial atomizers. The mechanisms of droplet size and spray formation in these types of atomizers are dominated by Kelvin-Helmholtz and Raleigh-Taylor instabilities for both low[1] and high[2] Ohnesorge numbers. We present detailed phase Doppler measurements of the Sauter Mean Diameter of the droplets produced by co-axial spray atomizers using water-based colloidal suspensions with solid concentrations ranging from fifteen to twenty percent and acetone-based colloidal suspensions with solid concentrations ranging from five to ten percent. Our results compare favorably with predictions by Aliseda's model. This suggests that the final size distribution is mainly determined by the instabilities caused by the sudden acceleration of the liquid interface. [1]Varga, C. M., et al. (2003) J. Fluid Mech. 497:405-434 [2]Aliseda, A. et al. (2008). J. Int. J. Multiphase Flow, 34(2), 161-175.

Constitutive relation for the system-spanning dynamically jammed region in response to impact of cornstarch and water suspensions

NASA Astrophysics Data System (ADS)

Maharjan, Rijan; Mukhopadhyay, Shomeek; Allen, Benjamin; Storz, Tobias; Brown, Eric

2018-05-01

We experimentally characterize the impact response of concentrated suspensions consisting of cornstarch and water. We observe that the suspensions support a large normal stress—on the order of MPa—with a delay after the impactor hits the suspension surface. We show that neither the delay nor the magnitude of the stress can yet be explained by either standard rheological models of shear thickening in terms of steady-state viscosities, or impact models based on added mass or other inertial effects. The stress increase occurs when a dynamically jammed region of the suspension in front of the impactor propagates to the opposite boundary of the container, which can support large stresses when it spans between solid boundaries. We present a constitutive relation for impact rheology to relate the force on the impactor to its displacement. This can be described in terms of an effective modulus but only after the delay required for the dynamically jammed region to span between solid boundaries. Both the modulus and the delay are reported as a function of impact velocity, fluid height, and weight fraction. We report in a companion paper the structure of the dynamically jammed region when it spans between the impactor and the opposite boundary [Allen et al., Phys. Rev. E 97, 052603 (2018), 10.1103/PhysRevE.97.052603]. In a direct follow-up paper, we show that this constitutive model can be used to quantitatively predict, for example, the trajectory and penetration depth of the foot of a person walking or running on cornstarch and water [Mukhopadhyay et al., Phys. Rev. E 97, 052604 (2018), 10.1103/PhysRevE.97.052604].

Dynamic adaptive chemistry for turbulent flame simulations

NASA Astrophysics Data System (ADS)

Yang, Hongtao; Ren, Zhuyin; Lu, Tianfeng; Goldin, Graham M.

2013-02-01

The use of large chemical mechanisms in flame simulations is computationally expensive due to the large number of chemical species and the wide range of chemical time scales involved. This study investigates the use of dynamic adaptive chemistry (DAC) for efficient chemistry calculations in turbulent flame simulations. DAC is achieved through the directed relation graph (DRG) method, which is invoked for each computational fluid dynamics cell/particle to obtain a small skeletal mechanism that is valid for the local thermochemical condition. Consequently, during reaction fractional steps, one needs to solve a smaller set of ordinary differential equations governing chemical kinetics. Test calculations are performed in a partially-stirred reactor (PaSR) involving both methane/air premixed and non-premixed combustion with chemistry described by the 53-species GRI-Mech 3.0 mechanism and the 129-species USC-Mech II mechanism augmented with recently updated NO x pathways, respectively. Results show that, in the DAC approach, the DRG reduction threshold effectively controls the incurred errors in the predicted temperature and species concentrations. The computational saving achieved by DAC increases with the size of chemical kinetic mechanisms. For the PaSR simulations, DAC achieves a speedup factor of up to three for GRI-Mech 3.0 and up to six for USC-Mech II in simulation time, while at the same time maintaining good accuracy in temperature and species concentration predictions.

Removal forces and adhesion properties of Saccharomyces cerevisiae on glass substrates probed by optical tweezer

NASA Astrophysics Data System (ADS)

Castelain, Mickaël; Pignon, Frédéric; Piau, Jean-Michel; Magnin, Albert; Mercier-Bonin, Muriel; Schmitz, Philippe

2007-10-01

In agroindustry, the hygiene of solid surfaces is of primary importance in order to ensure that products are safe for consumers. To improve safety, one of the major ways consists in identifying and understanding the mechanisms of microbial cell adhesion to nonporous solid surfaces or filtration membranes. In this paper we investigate the adhesion of the yeast cell Saccharomyces cerevisiae (about 5μm in diameter) to a model solid surface, using well-defined hydrophilic glass substrates. An optical tweezer device developed by Piau [J. Non-Newtonian Fluid Mech. 144, 1 (2007)] was applied to yeast cells in contact with well-characterized glass surfaces. Two planes of observation were used to obtain quantitative measurements of removal forces and to characterize the corresponding mechanisms at a micrometer length scale. The results highlight various adhesion mechanisms, depending on the ionic strength, contact time, and type of yeast. The study has allowed to show a considerable increase of adhering cells with the ionic strength and has provided a quantitative measurement of the detachment forces of cultured yeast cells. Force levels are found to grow with ionic strength and differences in mobility are highlighted. The results clearly underline that a microrheological approach is essential for analyzing the adhesion mechanisms of biological systems at the relevant local scales.

Theoretical Study of Solid State Quantum Information Processing

DTIC Science & Technology

2013-08-28

0. doi: 10.1103/PhysRevB.86.035302 08/31/2012 22.00 Yu-xi Liu, Franco Nori, Xuedong Hu. Strong coupling of a spin qubit to a superconducting ...applications to current EDSR experiments on nanowire QDs, g-factor optimization of confined electrons, and spin decay measurements in DQD spin-orbit qubits ...program is to provide theoretical support to the study of solid state quantum computing, with a focus on spin qubits . Our main research thrusts have been

Isolation of Coherent Synchrotron Emission During Relativistic Laser Plasma Interactions

NASA Astrophysics Data System (ADS)

Dromey, B.; Rykovanov, S. G.; Lewis, C. L. S.; Zepf, M.

Coherent Synchrotron Emission (CSE) from relativistic laser plasmas (Pukhov et al., Plas Phys Control Fusion 52:124039, 2010; Dromey et al., Nat Phys 8:804-808, 2012; Dromey et al., New J Phys 15:015025, 2013) has recently been identified as a unique platform for the generation of coherent extreme ultraviolet (XUV) and X-Ray radiation with clear potential for bright attosecond pulse production. Exploiting this potential requires careful selection of interaction geometry, spectral wavelength range and target characteristics to allow the generation of high fidelity single attosecond pulses. In the laboratory the first step on this road is to study the individual mechanisms driving the emission of coherent extreme ultraviolet and X-Ray radiation during laser solid interactions in isolation. Here we show how interactions can be tailored to permit the unambiguous observation of coherent synchrotron emission (CSE) and the implications of this geometry for the resulting harmonic spectrum over the duration of the interaction.

Analysis of finite-strain equations of state for solids under high pressures

NASA Astrophysics Data System (ADS)

Sushil, K.; Arunesh, K.; Singh, P. K.; Sharma, B. S.

2004-10-01

We have reformulated equations of state (EOS) for solids based on Lagrangian and Eulerian strains following the method developed by Stacey [Phys. Earth Planet. Inter. 128 (2001) 179]. The expressions thus obtained are used conveniently to assess the validity of various EOS for different types of solids. The logarithmic EOS based on the Hencky measure of finite-strain is also modified by including the higher terms arising from the fourth-order contribution in the Taylor series expansion of the free energy. The results are obtained for pressure (P), isothermal bulk modulus (KT) and its pressure derivative (dKT/dP) for Ne, Ar, Al, Cu, LiH and MgO solids for a wide range of compressions (V/V0) down to 0.5. The results determined from the finite-strain equations are compared with those obtained from the Vinet-Rydberg equation and the Shanker equation, which are based on the interatomic potential energy functions. The results are also compared with the ab inito values reported by Hama and Suito [J. Phys.: Condens. Matter 8 (1996) 67] determined from first-principles calculations using the augmented plane wave method and the quantum statistical model. The EOS based on the K‧ finite-strain theory due to Keane and Stacey are also discussed, emphasising the importance of K∞‧ , in the limit P→∞.

Contact mechanics for poroelastic, fluid-filled media, with application to cartilage.

PubMed

Persson, B N J

2016-12-21

I study a simple contact mechanics model for a poroelastic, fluid-filled solid squeezed against a rigid, randomly rough substrate. I study how the fluid is squeezed out from the interface, and how the area of contact, and the average interfacial separation, change with time. I present numerical results relevant for a human cartilage. I show that for a fluid filled poroelastic solid the probability of cavitation (and the related wear as the cavities implode), and dynamical scraping (defined below and in Hutt and Persson, J. Chem. Phys. 144, 124903 (2016)), may be suppressed by fluid flow from the poroelastic solid into the (roughness induced) interfacial gap between the solids.

Contact mechanics for poroelastic, fluid-filled media, with application to cartilage

NASA Astrophysics Data System (ADS)

Persson, B. N. J.

2016-12-01

I study a simple contact mechanics model for a poroelastic, fluid-filled solid squeezed against a rigid, randomly rough substrate. I study how the fluid is squeezed out from the interface, and how the area of contact, and the average interfacial separation, change with time. I present numerical results relevant for a human cartilage. I show that for a fluid filled poroelastic solid the probability of cavitation (and the related wear as the cavities implode), and dynamical scraping (defined below and in Hutt and Persson, J. Chem. Phys. 144, 124903 (2016)), may be suppressed by fluid flow from the poroelastic solid into the (roughness induced) interfacial gap between the solids.

Alternative first-principles calculation of entropy for liquids

DOE PAGES

Meyer, Edmund R.; Ticknor, Christopher; Kress, Joel D.; ...

2016-04-15

Here, w present an alternative method for interpreting the velocity autocorrelation function (VACF) of a fluid with application to extracting the entropy in a manner similar to the methods developed by Lin et al. [J. Chem. Phys. 119, 11792 (2003)] and improved upon by Desjarlais [Phys. Rev. E 88, 062145 (2013)]. The liquid VACF is decomposed into two components, one gas and one solid, and each contribution's entropic portion is calculated. But, we fit both the gas and solid portions of the VACF in the time domain. This approach is applied to a single-component liquid (a two-phase model of liquidmore » Al at the melt line) and two different two-component systems: a superionic-to-superionic (bcc to fcc) phase transition in H 2 O at high temperatures and pressures and a metastable liquid state of MgO. Finally, for all three examples, comparisons to existing results in the literature demonstrate the validity of our alternative.« less

Watching Conformations of Biomolecules: a Microwave Spectroscopy Approach

NASA Astrophysics Data System (ADS)

Lopez, J. C.

2011-06-01

The combination of laser ablation with Fourier transform microwave spectroscopy in supersonic jets (LA-MB-FTMW) has made possible the gas-phase study of solid biomolecules with high melting points. In the experiment, solids are efficiently vaporized by a high-energy laser pulse, supersonically expanded into a evacuated Fabry-Perot cavity and characterised by their rotational spectra. Recent improvements such as the use of picosecond pulse lasers, new ablation nozzles and the extension of the range of the spectrometers to low frequecy have notably increased the sensitivity of our experimental setup. To date different α-, β- and γ-amino acids have been studied using this technique, making possible the characterization of their preferred conformations and gaining insight in the role of intramolecular interactions. Even in conformationally challenging systems the different rotamers of such biomolecules can be identified by rotational spectroscopy as can be illustrated by the assignment of six low-energy conformers in cysteine and aspartic acid, seven in serine and threonine,^a and nine in γ-amino butyric acid (GABA). In all cases the low-energy conformers have been conclusive identified from their experimental rotational and 14N quadrupole coupling constants. The spectra of neurotransmitters and of the nucleic acid bases uracil, thymine, cytosine and guanine have also been studied and their preferred conformers or tautomeric forms determined. The complexes between amino acids and nucleic acid bases with water have also been investigated to obtain information on the possible changes induced in the conformational or tautomeric preferences by the addition of solvent molecules. J. L. Alonso, C. Pérez, M. E. Sanz, J. C. López, S. Blanco, Phys. Chem. Chem. Phys. 11, 617-627 (2009) and references therein M. E. Sanz, J. C. López, J. L. Alonso, Phys. Chem. Chem. Phys., 12, 3573-3578 (2010) S. Blanco, J. C. López, S. Mata and J. L. Alonso, Angew. Chem. Int. Ed. 49, 9187 (2010) J. L. Alonso, M. E. Sanz, J. C. López, V. Cortijo, J. Am. Chem. Soc. 131, 4320 (2009) J. L. Alonso, I. Peña, J. C. López, V. Vaquero, Angew. Chem. Int. Ed. 49, 6141 (2009) J. C. López, J. L. Alonso, I. Peña, V. Vaquero, Phys. Chem. Chem. Phys., 12, 3573-3578 (2010)

Cryogenic Optical Refrigeration

DTIC Science & Technology

2012-03-22

Applications of Laser Cooling of Solids, 1st ed. (Wiley-VCH, 2009). 12. M. Sheik- Bahae and R. I . Epstein, “Optical refrigeration,” Nat. Photonics 1(12), 693–699...2007). Advances in Optics and Photonics 4, 78–107 (2012) doi:10.1364/AOP.4.000078 99 13. M. Sheik- Bahae and R. I . Epstein, “Laser cooling of solids...Sheik- Bahae and R. I . Epstein, “Can laser light cool semiconductors,” Phys. Rev. Lett. 92(24), 247403 (2004). 18. P. Asbeck, “Self-absorption effects

The shear modulus of metastable amorphous solids with strong central and bond-bending interactions

NASA Astrophysics Data System (ADS)

Zaccone, Alessio

2009-07-01

We derive expressions for the shear modulus of deeply quenched, glassy solids, in terms of a Cauchy-Born free energy expansion around a rigid (quenched) reference state, following the approach due to Alexander (1998 Phys. Rep. 296 65). Continuum-limit explicit expressions of the shear modulus are derived starting from the microscopic Hamiltonians of central and bond-bending interactions. The applicability of the expressions to dense covalent glasses as well as colloidal glasses involving strongly attractive or adhesive bonds is discussed.

Three-Dimensional Direct Numerical Simulation of Methane-Air Turbulent Premixed Flames with Reduced Kinetic Mechanism

NASA Astrophysics Data System (ADS)

Tanahashi, Mamoru; Kikuta, Satoshi; Miyauchi, Toshio

2004-11-01

Three-dimensional DNS of methane-air turbulent premixed flames have been conducted to investigate local extinction mechanism of turbulent premixed flames. A reduced kinetic mechanism (MeCH-19), which is created from GRI-Mech. 2.11 and includes 23 reactive species and 19 step reactions, are used to simulate CH_4-O_2-N2 reaction in turbulence. The effectiveness of this reduced kinetic mechanism has been conformed by preliminary two-dimensional DNS with the reduced kinetic mechanism and two detailed kinetic mechanisms; GRI-Mech. 2.11 and Miller & Bowman. Flame structures of methane-air turbulent premixed flames are compared with those of hydrogen-air turbulent premixed flames which have been obtained by 3D-DNS with a detailed kinetic mechanism in our previous study. Local extinctions occur in methane-air turbulent premixed flames, whereas no extinction is observed for hydrogen-air flames in nearly same turbulence condition. The local extinction mechanism is discussed based on eddy/flame interaction in small scales.

Advantages of formulating an evolution equation directly for elastic distortional deformation in finite deformation plasticity

NASA Astrophysics Data System (ADS)

Rubin, M. B.; Cardiff, P.

2017-11-01

Simo (Comput Methods Appl Mech Eng 66:199-219, 1988) proposed an evolution equation for elastic deformation together with a constitutive equation for inelastic deformation rate in plasticity. The numerical algorithm (Simo in Comput Methods Appl Mech Eng 68:1-31, 1988) for determining elastic distortional deformation was simple. However, the proposed inelastic deformation rate caused plastic compaction. The corrected formulation (Simo in Comput Methods Appl Mech Eng 99:61-112, 1992) preserves isochoric plasticity but the numerical integration algorithm is complicated and needs special methods for calculation of the exponential map of a tensor. Alternatively, an evolution equation for elastic distortional deformation can be proposed directly with a simplified constitutive equation for inelastic distortional deformation rate. This has the advantage that the physics of inelastic distortional deformation is separated from that of dilatation. The example of finite deformation J2 plasticity with linear isotropic hardening is used to demonstrate the simplicity of the numerical algorithm.

Progress in development of HEDP capabilities in FLASH's Unsplit Staggered Mesh MHD solver

NASA Astrophysics Data System (ADS)

Lee, D.; Xia, G.; Daley, C.; Dubey, A.; Gopal, S.; Graziani, C.; Lamb, D.; Weide, K.

2011-11-01

FLASH is a publicly available astrophysical community code designed to solve highly compressible multi-physics reactive flows. We are adding capabilities to FLASH that will make it an open science code for the academic HEDP community. Among many important numerical requirements, we consider the following features to be important components necessary to meet our goals for FLASH as an HEDP open toolset. First, we are developing computationally efficient time-stepping integration methods that overcome the stiffness that arises in the equations describing a physical problem when there are disparate time scales. To this end, we are adding two different time-stepping schemes to FLASH that relax the time step limit when diffusive effects are present: an explicit super-time-stepping algorithm (Alexiades et al. in Com. Num. Mech. Eng. 12:31-42, 1996) and a Jacobian-Free Newton-Krylov implicit formulation. These two methods will be integrated into a robust, efficient, and high-order accurate Unsplit Staggered Mesh MHD (USM) solver (Lee and Deane in J. Comput. Phys. 227, 2009). Second, we have implemented an anisotropic Spitzer-Braginskii conductivity model to treat thermal heat conduction along magnetic field lines. Finally, we are implementing the Biermann Battery term to account for spontaneous generation of magnetic fields in the presence of non-parallel temperature and density gradients.

Global Well-Posedness and Decay Rates of Strong Solutions to a Non-Conservative Compressible Two-Fluid Model

NASA Astrophysics Data System (ADS)

Evje, Steinar; Wang, Wenjun; Wen, Huanyao

2016-09-01

In this paper, we consider a compressible two-fluid model with constant viscosity coefficients and unequal pressure functions {P^+neq P^-}. As mentioned in the seminal work by Bresch, Desjardins, et al. (Arch Rational Mech Anal 196:599-629, 2010) for the compressible two-fluid model, where {P^+=P^-} (common pressure) is used and capillarity effects are accounted for in terms of a third-order derivative of density, the case of constant viscosity coefficients cannot be handled in their settings. Besides, their analysis relies on a special choice for the density-dependent viscosity [refer also to another reference (Commun Math Phys 309:737-755, 2012) by Bresch, Huang and Li for a study of the same model in one dimension but without capillarity effects]. In this work, we obtain the global solution and its optimal decay rate (in time) with constant viscosity coefficients and some smallness assumptions. In particular, capillary pressure is taken into account in the sense that {Δ P=P^+ - P^-=fneq 0} where the difference function {f} is assumed to be a strictly decreasing function near the equilibrium relative to the fluid corresponding to {P^-}. This assumption plays an key role in the analysis and appears to have an essential stabilization effect on the model in question.

A diffusive information preservation method for small Knudsen number flows

NASA Astrophysics Data System (ADS)

Fei, Fei; Fan, Jing

2013-06-01

The direct simulation Monte Carlo (DSMC) method is a powerful particle-based method for modeling gas flows. It works well for relatively large Knudsen (Kn) numbers, typically larger than 0.01, but quickly becomes computationally intensive as Kn decreases due to its time step and cell size limitations. An alternative approach was proposed to relax or remove these limitations, based on replacing pairwise collisions with a stochastic model corresponding to the Fokker-Planck equation [J. Comput. Phys., 229, 1077 (2010); J. Fluid Mech., 680, 574 (2011)]. Similar to the DSMC method, the downside of that approach suffers from computationally statistical noise. To solve the problem, a diffusion-based information preservation (D-IP) method has been developed. The main idea is to track the motion of a simulated molecule from the diffusive standpoint, and obtain the flow velocity and temperature through sampling and averaging the IP quantities. To validate the idea and the corresponding model, several benchmark problems with Kn ˜ 10-3-10-4 have been investigated. It is shown that the IP calculations are not only accurate, but also efficient because they make possible using a time step and cell size over an order of magnitude larger than the mean collision time and mean free path, respectively.

Global two-fluid turbulence simulations of L-H transitions and edge localized mode dynamics in the COMPASS-D tokamak

NASA Astrophysics Data System (ADS)

Thyagaraja, A.; Valovič, M.; Knight, P. J.

2010-04-01

It is shown that the transition from L-mode to H-mode regimes in tokamaks can be reproduced using a two-fluid, fully electromagnetic, plasma model when a suitable particle sink is added at the edge. Such a model is implemented in the CUTIE code [A. Thyagaraja et al., Eur. J. Mech. B/Fluids 23, 475 (2004)] and is illustrated on plasma parameters that mimic those in the COMPASS-D tokamak with electron cyclotron resonance heating [Fielding et al., Plasma Phys. Contr. Fusion 42, A191 (2000)]. In particular, it is shown that holding the heating power, current, and magnetic field constant and increasing the fuelling rate to raise the plasma density leads spontaneously to the formation of an edge transport barrier (ETB) which occurs going from low to higher density experimentally. In the following quiescent period in which the stored energy of the plasma rises linearly with time, a dynamical transition occurs in the simulation with the appearance of features resembling strong edge localized modes. The simulation qualitatively reproduces many features observed in the experiment. Its relative robustness suggests that some, at least of the observed characteristics of ETBs and L-H transitions, can be captured in the global electromagnetic turbulence model.

Particle dynamics and pattern formation in a rotating suspension of positively buoyant particles

NASA Astrophysics Data System (ADS)

Konidena, Sudarshan; Lee, Jonghoon; Reddy, K. Anki; Singh, Anugrah

2018-04-01

Numerical simulations of positively buoyant suspension in a horizontally rotating cylinder were performed to study the formation of radial and axial patterns. The order parameter for the low-frequency segregated phase and dispersed phase is similar to that predicted for the settling suspension by Lee and Ladd [J. Fluid Mech. 577, 183 (2007), 10.1017/S002211200700465X], which is the average angular velocity of the particles. The particle density profiles for axial bands in the buoyancy-dominated phase shows an amplitude equivalent to the diameter of the cylinder. Axial density profiles show sinusoidal behavior for the drag-dominant phase and oscillating sinusoidal behavior for the centrifugal-force-dominant phase. Results also indicate that the traveling bands are formed as a consequence of the inhomogeneous distribution of particles arising from a certain imbalance of drag, buoyancy, and centrifugal forces. In the centrifugal limit, particles move towards the center of the cylinder, aggregating to form a dense core of particles with its axis coinciding with that of the rotating cylinder, a behavior which is in contrast to the sedimenting particles. The particle distribution patterns obtained from the simulations are found to be in good agreement with the experiments of Kalyankar et al. [Phys. Fluids 20, 083301 (2008), 10.1063/1.2970156].

Modeling of Turbulent Natural Convection in Enclosed Tall Cavities

NASA Astrophysics Data System (ADS)

Goloviznin, V. M.; Korotkin, I. A.; Finogenov, S. A.

2017-12-01

It was shown in our previous work (J. Appl. Mech. Tech. Phys 57 (7), 1159-1171 (2016)) that the eddy-resolving parameter-free CABARET scheme as applied to two-and three-dimensional de Vahl Davis benchmark tests (thermal convection in a square cavity) yields numerical results on coarse (20 × 20 and 20 × 20 × 20) grids that agree surprisingly well with experimental data and highly accurate computations for Rayleigh numbers of up to 1014. In the present paper, the sensitivity of this phenomenon to the cavity shape (varying from cubical to highly elongated) is analyzed. Box-shaped computational domains with aspect ratios of 1: 4, 1: 10, and 1: 28.6 are considered. The results produced by the CABARET scheme are compared with experimental data (aspect ratio of 1: 28.6), DNS results (aspect ratio of 1: 4), and an empirical formula (aspect ratio of 1: 10). In all the cases, the CABARET-based integral parameters of the cavity flow agree well with the other authors' results. Notably coarse grids with mesh refinement toward the walls are used in the CABARET calculations. It is shown that acceptable numerical accuracy on extremely coarse grids is achieved for an aspect ratio of up to 1: 10. For higher aspect ratios, the number of grid cells required for achieving prescribed accuracy grows significantly.

SPH modeling and simulation of spherical particles interacting in a viscoelastic matrix

NASA Astrophysics Data System (ADS)

Vázquez-Quesada, A.; Ellero, M.

2017-12-01

In this work, we extend the three-dimensional Smoothed Particle Hydrodynamics (SPH) non-colloidal particulate model previously developed for Newtonian suspending media in Vázquez-Quesada and Ellero ["Rheology and microstructure of non-colloidal suspensions under shear studied with smoothed particle hydrodynamics," J. Non-Newtonian Fluid Mech. 233, 37-47 (2016)] to viscoelastic matrices. For the solvent medium, the coarse-grained SPH viscoelastic formulation proposed in Vázquez-Quesada, Ellero, and Español ["Smoothed particle hydrodynamic model for viscoelastic fluids with thermal fluctuations," Phys. Rev. E 79, 056707 (2009)] is adopted. The property of this particular set of equations is that they are entirely derived within the general equation for non-equilibrium reversible-irreversible coupling formalism and therefore enjoy automatically thermodynamic consistency. The viscoelastic model is derived through a physical specification of a conformation-tensor-dependent entropy function for the fluid particles. In the simple case of suspended Hookean dumbbells, this delivers a specific SPH discretization of the Oldroyd-B constitutive equation. We validate the suspended particle model by studying the dynamics of single and mutually interacting "noncolloidal" rigid spheres under shear flow and in the presence of confinement. Numerical results agree well with available numerical and experimental data. It is straightforward to extend the particulate model to Brownian conditions and to more complex viscoelastic solvents.

Vortex shedding from obstacles: theoretical frequency prediction

NASA Astrophysics Data System (ADS)

Pier, Benoît

2001-11-01

The existence of self-sustained oscillations in spatially developing systems is closely related to the presence of a locally absolutely unstable region. A recent investigation of a ``synthetic wake'' (a wake with no solid obstacle and no reverse flow region) has proved [Pier and Huerre, J. Fluid Mech. 435, 145 (2001)] that the observed Kármán vortex street is a nonlinear elephant global mode. The same criterion is now shown to hold for real obstacles. Local properties are derived from the unperturbed basic flow computed by enforcing a symmetry condition on the central line. Application of the theoretical criterion then yields the expected Strouhal vortex shedding frequency. The thus predicted frequency is in excellent agreement with direct numerical simulations of the complete flow. The use of the frequency selection mechanism to control the vortex shedding will also be discussed.

Solid State Research

DTIC Science & Technology

1992-02-15

Appl. Phys. Lett. 59, 2634 Increased Lifetime Obtained by Using C. A. Wang (1991) Strained InGaAs Active Layer N. H. Karam* Piezoelectric Micromotors ... Micromotors J. Chen* K. G. Brooks* L. E. Cross* A. M. Flynn* S. F. Bart* L. S. Tavrow* R. A. Brooks* D. J. Ehrlich *Author not at Lincoln Laboratory

Phase diagram of two-dimensional hard ellipses.

PubMed

Bautista-Carbajal, Gustavo; Odriozola, Gerardo

2014-05-28

We report the phase diagram of two-dimensional hard ellipses as obtained from replica exchange Monte Carlo simulations. The replica exchange is implemented by expanding the isobaric ensemble in pressure. The phase diagram shows four regions: isotropic, nematic, plastic, and solid (letting aside the hexatic phase at the isotropic-plastic two-step transition [E. P. Bernard and W. Krauth, Phys. Rev. Lett. 107, 155704 (2011)]). At low anisotropies, the isotropic fluid turns into a plastic phase which in turn yields a solid for increasing pressure (area fraction). Intermediate anisotropies lead to a single first order transition (isotropic-solid). Finally, large anisotropies yield an isotropic-nematic transition at low pressures and a high-pressure nematic-solid transition. We obtain continuous isotropic-nematic transitions. For the transitions involving quasi-long-range positional ordering, i.e., isotropic-plastic, isotropic-solid, and nematic-solid, we observe bimodal probability density functions. This supports first order transition scenarios.

Finite Element Studies of Solitary Waves in Granular Chains

NASA Astrophysics Data System (ADS)

Musson, Ryan W.

Solitary wave propagation in a monodisperse metallic granular chain was simulated using the finite element method. The model was built to address a discrepancy between numerical and experimental results from Lazaridi and Nesterenko (J. Appl. Mech. Tech. Phys., 26 [3] 405-408 1985). In their work, solitary waves were generated in a chain of particles through impact of a piston, and results were quantified by comparing the chains' reactions to a rigid wall. Their numerical calculations resulted in a solitary wave with a force amplitude of 83 N, while it was measured experimentally to be 71 N. In the present work, the configuration of the granular chain and piston was duplicated from Lazaridi and Nesterenko (J. Appl. Mech. Tech. Phys., 26 [3] 405-408 1985). Qualitatively similar solitary waves were produced, and von Mises stress values indicated that localized plastic deformation is possible, even at low piston impact velocities. These results show that localized plastic deformation was a likely source of dissipation in experiments performed by Lazaridi and Nesterenko. Solitary wave response was investigated in the same metallic granular chain-piston system using LS-DYNA. A power-law hardening material model was used to show that localized plastic deformation is present in the metallic granular chain, even for an impact velocity of 0.5 m/s. This loss due to plastic deformation was quantified via impulse, and it was shown that the loss scales nearly linearly with impact velocity. Therefore, metallic grains may not be suitable for devices that require high amplitude solitary waves. There would be too much energy lost to plastic deformation. The response of an aluminum oxide granular chain was subsequently compared to that of a steel chain because ceramics are inherently elastic. It was shown that solitary waves travel faster and the initial peak is slightly lower when compared to a steel chain. The response of granular chains to impulse loading was investigated as a function of material properties. COMSOL Multiphysics was used to study the effect of density and elastic modulus on a granular chain with fixed Poisson's ratio. Solitary wave velocity and amplitude increased with elastic modulus. Increasing density caused a decrease in wave velocity and an increase in amplitude. In addition, higher density granular chains exhibited a decrease in the number of solitary waves in their respective solitary wave trains. LS-DYNA was then used to explore the response of a variety of ceramic and metallic granular chains. Density, elastic modulus, and Poisson's ratio were all set to representative values for the respective material. It was shown that solitary wave development and decay occur at different rates for different materials. In addition, the kinetic energy decay of the impactor was slower for glass compared with tungsten. Finally, it was shown that a single solitary wave with no train could be produced by impacting a high density, high modulus chain such as tungsten with a glass piston, which has relatively low density and elastic modulus. Increasing impact velocity for this case resulted in a single high-amplitude solitary wave with no train.

High-harmonic generation from Bloch electrons in solids

NASA Astrophysics Data System (ADS)

Wu, Mengxi; Ghimire, Shambhu; Reis, David A.; Schafer, Kenneth J.; Gaarde, Mette B.

2015-04-01

We study the generation of high-harmonic radiation by Bloch electrons in a model transparent solid driven by a strong midinfrared laser field. We solve the single-electron time-dependent Schrödinger equation (TDSE) using a velocity-gauge method [M. Korbman et al., New J. Phys. 15, 013006 (2013), 10.1088/1367-2630/15/1/013006] that is numerically stable as the laser intensity and number of energy bands are increased. The resulting harmonic spectrum exhibits a primary plateau due to the coupling of the valence band to the first conduction band, with a cutoff energy that scales linearly with field strength and laser wavelength. We also find a weaker second plateau due to coupling to higher-lying conduction bands, with a cutoff that is also approximately linear in the field strength. To facilitate the analysis of the time-frequency characteristics of the emitted harmonics, we also solve the TDSE in a time-dependent basis set, the Houston states [J. B. Krieger and G. J. Iafrate, Phys. Rev. B 33, 5494 (1986), 10.1103/PhysRevB.33.5494], which allows us to separate interband and intraband contributions to the time-dependent current. We find that the interband and intraband contributions display very different time-frequency characteristics. We show that solutions in these two bases are equivalent under a unitary transformation but that, unlike the velocity-gauge method, the Houston state treatment is numerically unstable when more than a few low-lying energy bands are used.

Comment on ``Equation of state of aluminum nitride and its shock response'' [J. Appl. Phys. 76, 4077 (1994)

NASA Astrophysics Data System (ADS)

Rosenberg, Z.; Brar, N. S.

1995-11-01

A recent article by Dandekar, Abbate, and Frankel [J. Appl. Phys. 76, 4077 (1994)] reviews existing data on high-pressure properties of aluminum nitride (AlN) in an effort to build an equation of state for this material. A rather large portion of that article is devoted to the shear strength of AlN and, in particular, to our data of 1991 with longitudinal and lateral stress gauges [Z. Rosenberg, N. S. Brar, and S. J. Bless, J. Appl. Phys. 70, 167 (1991)]. Since our highest data point has an error of 1 GPa, much of the discussion and conclusions of Dandekar and co-workers are not relevant once this error in data reduction is corrected. We also discuss the relevance of our shear strength data for various issues, such as the phase transformation of AlN at 20 GPa and the general shape of Hugoniot curves for brittle solids.

Study of methods to increase cluster/dislocation loop densities in electrodes

NASA Astrophysics Data System (ADS)

Yang, Xiaoling; Miley, George H.

2009-03-01

Recent research has developed a technique for imbedding ultra-high density deuterium ``clusters'' (50 to 100 atoms per cluster) in various metals such as Palladium (Pd), Beryllium (Be) and Lithium (Li). It was found the thermally dehydrogenated PdHx retained the clusters and exhibited up to 12 percent lower resistance compared to the virginal Pd samplesootnotetextA. G. Lipson, et al. Phys. Solid State. 39 (1997) 1891. SQUID measurements showed that in Pd these condensed matter clusters approach metallic conditions, exhibiting superconducting propertiesootnotetextA. Lipson, et al. Phys. Rev. B 72, 212507 (2005ootnotetextA. G. Lipson, et al. Phys. Lett. A 339, (2005) 414-423. If the fabrication methods under study are successful, a large packing fraction of nuclear reactive clusters can be developed in the electrodes by electrolyte or high pressure gas loading. This will provide a much higher low-energy-nuclear- reaction (LENR) rate than achieved with earlier electrodeootnotetextCastano, C.H., et al. Proc. ICCF-9, Beijing, China 19-24 May, 2002..

A Converse Approach to NMR Chemical Shifts for Norm-Conserving Pseudopotentials

NASA Astrophysics Data System (ADS)

Lopez, Graham; Ceresoli, Davide; Marzari, Nicola; Thonhauser, Timo

2010-03-01

Building on the recently developed converse approach for the ab-initio calculation of NMR chemical shifts [1], we present a corresponding framework that is suitable in connection with norm-conserving pseudopotentials. Our approach uses the GIPAW transformation [2] to set up a formalism where the derivative of the orbital magnetization [3] is taken with respect to a microscopic, localized magnetic dipole in the presence of pseudopotentials. The advantages of our method are that it is conceptually simple, the need for a linear-response framework is avoided, and it is applicable to large systems. We present results for calculations of several well-studied systems, including the carbon, hydrogen, fluorine, and phosphorus shifts in various molecules and solids. Our results are in very good agreement with both linear-response calculations and experimental results.[4pt] [1] T. Thonhauser et al., J. Chem. Phys. 131, 101101 (2009).[2] C. J. Pickard and F. Mauri, Phys. Rev. B 63, 245101 (2001).[3] T. Thonhauser et al., Phys. Rev. Lett. 95, 137205 (2005).

Solid-state experiments at high pressure and strain rates

NASA Astrophysics Data System (ADS)

Kalantar, D. H.

1999-11-01

We are developing experiments on intense laser facilities to study shock compressed metal foils in the solid state. At high pressure, Rayleigh-Taylor induced perturbation growth can be reduced by the strength of the material. [1] We use this to characterize the strength of the metal foils accelerated at high pressure in the solid state. In our experiments, Al and Cu foils are compressed and accelerated with staged shocks using a temporally shaped x-ray drive that is generated in a Nova laser hohlraum target. [2] The peak pressures exceed 1 Mbar (100 GPa), and strain rates are very high, 10^7-10^9 s-1. The instability growth is observed by x-ray radiography. To probe the state of the material under compression and to demonstrate that it remains solid, we are using the dynamic Bragg diffraction technique. [3] This technique has been demonstrated on the Nova laser [4] using Si crystals shocked to 200-500 kbar. Additionally, we have observed diffraction from Cu crystals that are shocked to 100-200 kbar by direct laser irradiation on the Trident and OMEGA lasers. Compressions of up to a 10in the crystal lattice spacing have been observed. We will present the results of our work to develop these high pressure solid-state hydrodynamics experiments. 1. J. F. Barnes et al, J. Appl. Phys. 45, 727 (1974); A. I. Lebedev et al , Proc. 4th IWPCTM, 29 March-1 April, 1993, p. 81. 2. D. H. Kalantar et al., to appear in Int. J. of Impact Eng. (1999). 3. R. R. Whitlock and J. S. Wark, Phys. Rev. B 52, 8 (1995). 4. D. H. Kalantar et al, Rev. Sci. Instrum. 70, 629 (1999).

Optical and Electronic Transport Properties of Luminescent Semiconductors, Amorphous Materials and Metastable Solids.

DTIC Science & Technology

1979-02-26

Williams, Electronic States of Semiconductors with Graded Periodic Inhomogeneities, Phys. Rev. Eli, 2200 (1975) . 7. P. DiBona and R. Ewing, ESR of...Fellow) - K. Daghir, Ph.D. (1974) (IBM) P. DiBona , M.S. (1967), Ph.D. (1974) (U.S. Navy, Surface Weapons Research Laboratory) D. Hoover (current

Innovative Techniques for Studying New Materials and New Developments in Solid State Physics

DTIC Science & Technology

1992-09-14

acoustic resonators to study superfluid-filled silica aerogel , high Tc superconductors, and quasicrystals", to be published in J. Low Temp. Phys. 4. J. D...McKenna, and J. D. Maynard, "Using acoustic resonators to study superfluid-filled silica aerogel , high Tc superconductors, and quasicrystals", Symposium

Numerical study of the effects of surface topography and chemistry on the wetting transition using the string method.

PubMed

Zhang, Yanan; Ren, Weiqing

2014-12-28

Droplets on a solid surface patterned with microstructures can exhibit the composite Cassie-Baxter (CB) state or the wetted Wenzel state. The stability of the CB state is determined by the energy barrier separating it from the wetted state. In this work, we study the CB to Wenzel transition using the string method [E et al., J. Chem. Phys. 126, 164103 (2007); W. Ren and E. Vanden-Eijnden, J. Chem. Phys. 138, 134105 (2013)]. We compute the transition states and energy barriers for a three-dimensional droplet on patterned surfaces. The liquid-vapor coexistence is modeled using the mean field theory. Numerical results are obtained for surfaces patterned with straight pillars and nails, respectively. It is found that on both type of surfaces, wetting occurs via infiltration of the liquid in a single groove. The reentrant geometry of nails creates large energy barrier for the wetting of the solid surface compared to straight pillars. We also study the effect of surface chemistry, pillar height, and inter-pillar spacing on the energy barrier and compare it with nails.

Freezing of soft spheres: A critical test for weighted-density-functional theories

NASA Astrophysics Data System (ADS)

Laird, Brian B.; Kroll, D. M.

1990-10-01

We study the freezing properties of systems with inverse-power and Yukawa interactions (soft spheres), using recently developed weighted-density-functional theories. We find that the modified weighted-density-functional approximation (MWDA) of Denton and Ashcroft yields results for the liquid to face-centered-cubic (fcc) structure transition that represent a significant improvement over those of earlier ``second-order'' density-functional freezing theories; however, this theory, like the earlier ones, fails to predict any liquid to body-centered-cubic (bcc) transition, even under conditions where the computer simulations indicate that this should be the equilibrium solid structure. In addition, we show that both the modified effective-liquid approximation (MELA) of Baus [J. Phys. Condens. Matter 2, 2111 (1990)] and the generalized effective-liquid approximation of Lutsko and Baus [Phys. Rev. Lett. 64, 761 (1990)], while giving excellent results for the freezing of hard spheres, fail completely to predict freezing into either fcc or bcc solid phases for soft inverse-power potentials. We also give an alternate derivation of the MWDA that makes clearer its connection to earlier theories.

Numerical study of the effects of surface topography and chemistry on the wetting transition using the string method

NASA Astrophysics Data System (ADS)

Zhang, Yanan; Ren, Weiqing

2014-12-01

Droplets on a solid surface patterned with microstructures can exhibit the composite Cassie-Baxter (CB) state or the wetted Wenzel state. The stability of the CB state is determined by the energy barrier separating it from the wetted state. In this work, we study the CB to Wenzel transition using the string method [E et al., J. Chem. Phys. 126, 164103 (2007); W. Ren and E. Vanden-Eijnden, J. Chem. Phys. 138, 134105 (2013)]. We compute the transition states and energy barriers for a three-dimensional droplet on patterned surfaces. The liquid-vapor coexistence is modeled using the mean field theory. Numerical results are obtained for surfaces patterned with straight pillars and nails, respectively. It is found that on both type of surfaces, wetting occurs via infiltration of the liquid in a single groove. The reentrant geometry of nails creates large energy barrier for the wetting of the solid surface compared to straight pillars. We also study the effect of surface chemistry, pillar height, and inter-pillar spacing on the energy barrier and compare it with nails.

Blowpipe Mineralogy for Physics/Environment: Highest-Possible-Tc SuperConductor (Beyond: (but via!!!) MgB2, Cuprates, Pnictides) Quest; BOTH PERMANENT FOREVER Carb-IDES SOLID-State Sequestration AND Drought(s)-Elimination

NASA Astrophysics Data System (ADS)

Segler, Kurt; Williams, Wendell; Siegel, Edward

2011-03-01

Detailed are old blowpipe new applications: charcoal-block reduction of borates to yield ("N-NW" of MgB2) Overhauser-[PR 35,1,411(1987); Intl.J.Mod.Phys.1, 2 & 4, 927(1987)]-"land" predicted high-EST-POSSIBLE Tc SC "LiD2"; very-early: Siegel[Phys.Stat.Sol.(a)11,45(1972);Semiconductors.and Insulators 5: 39,47,62(1979)] carb-IDES SOLID-state phase-TRANSITIONED CHEMICALLY-REDOX"-REACTED STABLE PERMANENT LONG-term NOT "CO2" BUT C-sequestration: PROFITABLE "Grab and Sell" TRUMPS "cap and trade"!!!; Mott alloying/vertical metal-insulator transitions in "borax-(GLASS)-beads"; and very-earlySiegel [{3rd Intl.Conf.Alt.Energy }(1980)-vol.5/p.459!!!] "FLYING-WATER" Hindenberg-effect (H2-UP;H2O-DOWN) via Hydrogen-maximal-Archimedes-buoyancy "chemical-rain-in-pipelines", only via Siegel proprietary "magnetic-hydrogen-valve"(MHV): Renewables-Hydrogen-Water flexible versatile agile scaleable retrofitable integrated operating-system for PERMANENT drought(s)-elimination FOREVER!!!

Controlled Neutralization of Anions in Cryogenic Matrices by Near-Threshold Photodetachment

NASA Astrophysics Data System (ADS)

Ludwig, Ryan M.; Moore, David T.

2014-06-01

Using matrix isolation FTIR, we have observed the formation of anionic copper carbonyl complexes [Cu(CO)n]- (n=1-3) following co-deposition of Cu- and counter-cations (Ar+ or Kr+) into argon matrices doped with CO. The infrared bands have been previously assigned in argon matrix studies employing laser ablation, however they were quite weak compared to the bands for the corresponding neutral species. In the current study, when the deposition is carried out in fully darkened conditions at 10 K with high CO concentrations (1-2%), only the bands for the anionic complexes are observed initially via FTIR. However, upon mild irradiation with broadband visible light, the anionic bands are rapidly depleted, with concomitant appearance of bands corresponding to neutral copper carbonyl complexes. This photo-triggered neutralization is attributed to photodetachment of electrons from the anions, which then "flow" through the solid argon matrix to recombine in the matrix with non-adjacent trapping sites. This mechanism is supported by the appearance of a new band near 1515 wn, assigned to the (CO)2- species in argon. The wavelength dependence of the photodetachment will be discussed in detail, although preliminary indications are that the thresholds for the copper carbonyls, which are normally in the infrared, are shifted into the visible region of the spectrum in argon matrices. This likely occurs because the conduction band of solid argon is known to lie about 1 eV above the vacuum level, and thus the electron must have at least this much energy in order to escape into the matrix and find a trapping site. Funding support from NSF CAREER Award CHE-0955637 is gratefully acknowledged Ryan M. Ludwig and David T. Moore, J. Chem. Phys. 139, 244202 (2013) Zhou, M.; Andrews, L., J. Chem. Phys. 111, 4548 (1999). Thompson, W.E.; Jacox, M.E.; J. Chem. Phys. 91, 735 (1991). Stanzel, J. et al.; Collect. Czech. Chem. Comm. 72, 1 (2007). Harbich, W. et al.; Phys. Rev. B. 76, 104306 (2007).

Rayleigh-Taylor instability in accelerated elastic-solid slabs

NASA Astrophysics Data System (ADS)

Piriz, S. A.; Piriz, A. R.; Tahir, N. A.

2017-12-01

We develop the linear theory for the asymptotic growth of the incompressible Rayleigh-Taylor instability of an accelerated solid slab of density ρ2, shear modulus G , and thickness h , placed over a semi-infinite ideal fluid of density ρ1<ρ2 . It extends previous results for Atwood number AT=1 [B. J. Plohr and D. H. Sharp, Z. Angew. Math. Phys. 49, 786 (1998), 10.1007/s000330050121] to arbitrary values of AT and unveil the singular feature of an instability threshold below which the slab is stable for any perturbation wavelength. As a consequence, an accelerated elastic-solid slab is stable if ρ2g h /G ≤2 (1 -AT) /AT .

Tsunami mitigation - redistribution of energy

NASA Astrophysics Data System (ADS)

Kadri, Usama

2017-04-01

Tsunamis are water waves caused by the displacement of a large volume of water, in the deep ocean or a large lake, following an earthquake, landslide, underwater explosion, meteorite impacts, or other violent geological events. On the coastline, the resulting waves evolve from unnoticeable to devastating, reaching heights of tens of meters and causing destruction of property and loss of life. Over 225,000 people were killed in the 2004 Indian Ocean tsunami alone. For many decades, scientists have been studying tsunami, and progress has been widely reported in connection with the causes (1), forecasting (2), and recovery (3). However, none of the studies ratifies the approach of a direct mitigation of tsunamis, with the exception of mitigation using submarine barriers (e.g. see Ref. (4)). In an attempt to open a discussion on direct mitigation, I examine the feasibility of redistributing the total energy of a very long surface ocean (gravity) wave over a larger space through nonlinear resonant interaction with two finely tuned acoustic-gravity waves (see Refs. (5-8)). Theoretically, while the energy input in the acoustic-gravity waves required for an effective interaction is comparable to that in a tsunami (i.e. impractically large), employing the proposed mitigation technique the initial tsunami amplitude could be reduced substantially resulting in a much milder impact at the coastline. Moreover, such a technique would allow for the harnessing of the tsunami's own energy. Practically, this mitigation technique requires the design of highly accurate acoustic-gravity wave frequency transmitters or modulators, which is a rather challenging ongoing engineering problem. References 1. E. Bryant, 2014. Tsunami: the underrated hazard. Springer, doi:10.1007/978-3-319- 06133-7. 2. V. V. Titov, F. I. Gonza`lez, E. N. Bernard, M. C. Eble, H. O. Mofjeld, J. C. Newman, A. J. Venturato, 2005. Real-Time Tsunami Forecasting: Challenges and Solutions. Nat. Hazards 35:41-58, doi:10.1007/1-4020-3607-8 3 3. E. Check, 2005. Natural disasters: Roots of recovery. Nature 438, 910-911, doi:10.1038/438910a. 4. A. M. Fridman, L. S. Alperovich, L. Shemer, L. Pustil'nik, D. Shtivelman, A. G. Marchuk, D. Liberzon, 2010. Tsunami wave suppression using submarine barriers. Phys. Usp. 53 809-816, doi:10.3367/UFNe.0180.201008d.0843. 5. U. Kadri, M. Stiassnie, 2013. Generation of an acoustic-gravity wave by two gravity waves, and their mutual interaction. J. Fluid Mech. 735, R6, doi:10.1017/jfm.2013.539. 6. U. Kadri, 2015. Wave motion in a heavy compressible fluid: revisited. European Journal of Mechanics - B/Fluids, 49(A), 50-57, doi:10.1016/j.euromechflu.2014.07.008 7. U. Kadri, T.R. Akylas, 2016. On resonant triad interactions of acoustic-gravity waves. J. Fluid Mech., 788, R1(12 pages), doi:10.1017/jfm.2015.721. 8. U. Kadri, 2016. Triad resonance between a surface-gravity wave and two high frequency hydro-acoustic waves. Eur. J. Mech. B/Fluid, 55(1), 157-161, doi:10.1016/j.euromechflu.2015.09.008.

Spontaneous bending of pre-stretched bilayers.

PubMed

DeSimone, Antonio

2018-01-01

We discuss spontaneously bent configurations of pre-stretched bilayer sheets that can be obtained by tuning the pre-stretches in the two layers. The two-dimensional nonlinear plate model we use for this purpose is an adaptation of the one recently obtained for thin sheets of nematic elastomers, by means of a rigorous dimensional reduction argument based on the theory of Gamma-convergence (Agostiniani and DeSimone in Meccanica. doi:10.1007/s11012-017-0630-4, 2017, Math Mech Solids. doi:10.1177/1081286517699991, arXiv:1509.07003, 2017). We argue that pre-stretched bilayer sheets provide us with an interesting model system to study shape programming and morphing of surfaces in other, more complex systems, where spontaneous deformations are induced by swelling due to the absorption of a liquid, phase transformations, thermal or electro-magnetic stimuli. These include bio-mimetic structures inspired by biological systems from both the plant and the animal kingdoms.

Engineering from the Sea: Establishing How Australian Army Engineers Fit into Australia’s Amphibious Concept

DTIC Science & Technology

2011-03-16

as a Geospatial Technician ( Geotech ). Specialist ( 4) TpHQ (1:4) Manning: 1 Offr : 45 Enlisted EODDet (2) Lane metres: 127.0 2xEDDteams Plus: I I...CAPT and Geotech with CT HQ I I I I L CE Sect- Mech (0:10) CE Sect- Mech (0:10) CE Sect - Light (0:8) Support Sect (0:9) M113AS4 Armoured...such as asbestos. An RAE Captain is included in the JTF Headquarters, as well as a Geotech . It is also more than likely that a technically qualified

System-spanning dynamically jammed region in response to impact of cornstarch and water suspensions

NASA Astrophysics Data System (ADS)

Allen, Benjamin; Sokol, Benjamin; Mukhopadhyay, Shomeek; Maharjan, Rijan; Brown, Eric

2018-05-01

We experimentally characterize the structure of concentrated suspensions of cornstarch and water in response to impact. Using surface imaging and particle tracking at the boundary opposite the impactor, we observed that a visible structure and particle flow at the boundary occur with a delay after impact. We show the delay time is about the same time as the strong stress response, confirming that the strong stress response results from deformation of the dynamically jammed structure once it spans between the impactor and a solid boundary. A characterization of this strong stress response is reported in a companion paper [Maharjan, Mukhopadhyay, Allen, Storz, and Brown, Phys. Rev. E 97, 052602 (2018), 10.1103/PhysRevE.97.052602]. We observed particle flow in the outer part of the dynamically jammed region at the bottom boundary, with a net transverse displacement of up to about 5% of the impactor displacement, indicating shear at the boundary. Direct imaging of the surface of the outer part of the dynamically jammed region reveals a change in surface structure that appears the same as the result of dilation in other cornstarch suspensions. Imaging also reveals cracks, like a brittle solid. These observations suggest the dynamically jammed structure can temporarily support stress according to an effective modulus, like a soil or dense granular material, along a network of frictional contacts between the impactor and solid boundary.

The Universal Role of Tubulence in the Propagation of Strong Shocks and Detonation Waves

NASA Astrophysics Data System (ADS)

Lee, John H.

2001-06-01

The passage of a strong shock wave usually results in irreversible physical and chemical changes in the medium. If the chemical reactions are sufficiently exothermic, the shock wave can be self-propagating, i.e., sustained by the chemical energy release via the expansion work of the reaction products. Although shocks and detonations can be globally stable and propagate at constant velocities (in the direction of motion), their structure may be highly unstable and exhibit large hydrodynamic fluctuations, i.e., turbulence. Recent investigations on plastic deformation of polycrystalline material behind shock waves have revealed particle velocity dispersion at the mesoscopic level, a result of vortical rotational motion similar to that of turbulent fluid flows at high Reynolds number.1 Strong ionizing shocks in noble gases2, as well as dissociating shock waves in carbon dioxide,3 also demonstrate a turbulent density fluctuation in the non-equilibrium shock transition zone. Perhaps the most thoroughly investigated unstable structure is that of detonation waves in gaseous explosives.4 Detonation waves in liquid explosives such as nitromethane also take on similar unstable structure as gaseous detonations.5 There are also indications that detonations in solid explosives have a similar unsteady structure under certain conditions. Thus, it appears that it is more of a rule than an exception that the structure of strong shocks and detonations are unstable and exhibit turbulent-like fluctuations as improved diagnostics now permit us to look more closely at the meso- and micro-levels. Increasing attention is now devoted to the understanding of the shock waves at the micro-scale level in recent years. This is motivated by the need to formulate physical and chemical models that contain the correct physics capable of describing quantitatively the shock transition process. It should be noted that, in spite of its unstable 3-D structure, the steady 1-D conservation laws (in the direction of propagation) apply across the shock transition zone if the downstream equilibrium plane is taken far enough away to ensure the decay of the turbulent fluctuations. Thus, the Hugoniot properties of one-dimensional propagation of shock and detonation waves remain valid. However, the conservation laws do not describe the important propagation mechanisms (i.e., the physical and chemical processes that effect the transition from initial to the final state) in the wave structure. Since gaseous detonations enjoy the advantage of being able to be observed experimentally in great detail, its complex turbulent structure is now quite well established. Furthermore, the equation of state for perfect gases is well known and the chemistry of most gas phase reactions is also sufficiently understood quantitatively to permit detailed numerical simulation of the complex detonation structure. Thus, a good database of information exists for gaseous detonation, and in this paper we shall explore the turbulent structure of gaseous detonation with the aim of answering the question as to "why nature prefers to evoke such a complicated manner to effect its propagation." We will then attempt to generalize the discussion to the "terra incognita" of condensed phase materials where the structure is much less understood. 1. Meshcheryakov, Yu.I., and Atroshenko, S.A., Izv. Vyssh. Uchebn. Zaved. Fiz., 4, 105-123 (1992). 2. Glass, I.I, and Liu, W.S., J. Fluid Mech., 84(1), 55-77 (1978). 3. Griffiths, R.W., Sanderman, R.J., and Hornung, H.G., J. Phys. D., 8, 1681-1691 (1975). 4. Lee, J.H.S., Ann. Rev. Fluid Mech., 16, 311-336 (1984). 5. Mallory, H.D., J. Appl. Physics, 38, 5302-5306 (1967).

Diabat Interpolation for Polymorph Free-Energy Differences.

PubMed

Kamat, Kartik; Peters, Baron

2017-02-02

Existing methods to compute free-energy differences between polymorphs use harmonic approximations, advanced non-Boltzmann bias sampling techniques, and/or multistage free-energy perturbations. This work demonstrates how Bennett's diabat interpolation method ( J. Comput. Phys. 1976, 22, 245 ) can be combined with energy gaps from lattice-switch Monte Carlo techniques ( Phys. Rev. E 2000, 61, 906 ) to swiftly estimate polymorph free-energy differences. The new method requires only two unbiased molecular dynamics simulations, one for each polymorph. To illustrate the new method, we compute the free-energy difference between face-centered cubic and body-centered cubic polymorphs for a Gaussian core solid. We discuss the justification for parabolic models of the free-energy diabats and similarities to methods that have been used in studies of electron transfer.

Entanglement properties of the two-dimensional SU(3) Affleck-Kennedy-Lieb-Tasaki state

NASA Astrophysics Data System (ADS)

Gauthé, Olivier; Poilblanc, Didier

2017-09-01

Two-dimensional (spin-2) Affleck-Kennedy-Lieb-Tasaki (AKLT) type valence bond solids on a square lattice are known to be symmetry-protected topological (SPT) gapped spin liquids [S. Takayoshi, P. Pujol, and A. Tanaka Phys. Rev. B 94, 235159 (2016), 10.1103/PhysRevB.94.235159]. Using the projected entangled pair state framework, we extend the construction of the AKLT state to the case of SU(3 ) , relevant for cold atom systems. The entanglement spectrum is shown to be described by an alternating SU(3 ) chain of "quarks" and "antiquarks", subject to exponentially decaying (with distance) Heisenberg interactions, in close similarity with its SU(2 ) analog. We discuss the SPT feature of the state.

Photoluminescence Studies on InAs/InSb Nanostructures Grown by MBE

DTIC Science & Technology

2000-06-23

temperatures [61. One should stress especially that the main problem here is intermixing of group V elements at the interfaces. Since we used conventional solid...Nicolas, N. J. Mason and B. Zhang, Appl. Phys. Let. 74, 2041 (1999). [5] N. Bertru, A. Baranov, Y. Cuminal , G. Almuneau, F. Genty, A. Joullie, 0. Brandt, A

Locomotor and Heart Rate Responses of Floaters During Small-Sided Games in Elite Soccer Players: Effect of Pitch Size and Inclusion of Goalkeepers.

PubMed

Lacome, Mathieu; Simpson, Ben M; Cholley, Yannick; Buchheit, Martin

2018-05-01

To (1) compare the locomotor and heart rate responses between floaters and regular players during both small and large small-sided games (SSGs) and (2) examine whether the type of game (ie, game simulation [GS] vs possession game [PO]) affects the magnitude of the difference between floaters and regular players. Data were collected in 41 players belonging to an elite French football team during 3 consecutive seasons (2014-2017). A 5-Hz global positionning system was used to collect all training data, with the Athletic Data Innovation analyzer (v5.4.1.514) used to derive total distance (m), high-speed distance (>14.4 km·h -1 , m), and external mechanical load (MechL, a.u.). All SSGs included exclusively 1 floater and were divided into 2 main categories, according to the participation of goalkeepers (GS) or not (PO) and then further divided into small and large (>100 m 2 per player) SSGs based on the area per player ratio. Locomotor activity and MechL performed were likely-to-most likely lower (moderate to large magnitude) in floaters compared with regular players, whereas differences in heart rate responses were unclear to possibly higher (small) in floaters. The magnitude of the difference in locomotor activity and MechL between floaters and regular players was substantially greater during GS compared with PO. Compared with regular players, floaters present decreased external load (both locomotor and MechL) despite unclear to possibly slightly higher heart rate responses during SSGs. Moreover, the responses of floaters compared with regular players are not consistent across different sizes of SSGs, with greater differences during GS than PO.

A comparative numerical analysis of linear and nonlinear aerodynamic sound generation by vortex disturbances in homentropic constant shear flows

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

Hau, Jan-Niklas, E-mail: hau@fdy.tu-darmstadt.de; Oberlack, Martin; GSC CE, Technische Universität Darmstadt, Dolivostraße 15, 64293 Darmstadt

2015-12-15

Aerodynamic sound generation in shear flows is investigated in the light of the breakthrough in hydrodynamics stability theory in the 1990s, where generic phenomena of non-normal shear flow systems were understood. By applying the thereby emerged short-time/non-modal approach, the sole linear mechanism of wave generation by vortices in shear flows was captured [G. D. Chagelishvili, A. Tevzadze, G. Bodo, and S. S. Moiseev, “Linear mechanism of wave emergence from vortices in smooth shear flows,” Phys. Rev. Lett. 79, 3178-3181 (1997); B. F. Farrell and P. J. Ioannou, “Transient and asymptotic growth of two-dimensional perturbations in viscous compressible shear flow,” Phys.more » Fluids 12, 3021-3028 (2000); N. A. Bakas, “Mechanism underlying transient growth of planar perturbations in unbounded compressible shear flow,” J. Fluid Mech. 639, 479-507 (2009); and G. Favraud and V. Pagneux, “Superadiabatic evolution of acoustic and vorticity perturbations in Couette flow,” Phys. Rev. E 89, 033012 (2014)]. Its source is the non-normality induced linear mode-coupling, which becomes efficient at moderate Mach numbers that is defined for each perturbation harmonic as the ratio of the shear rate to its characteristic frequency. Based on the results by the non-modal approach, we investigate a two-dimensional homentropic constant shear flow and focus on the dynamical characteristics in the wavenumber plane. This allows to separate from each other the participants of the dynamical processes — vortex and wave modes — and to estimate the efficacy of the process of linear wave-generation. This process is analyzed and visualized on the example of a packet of vortex modes, localized in both, spectral and physical, planes. Further, by employing direct numerical simulations, the wave generation by chaotically distributed vortex modes is analyzed and the involved linear and nonlinear processes are identified. The generated acoustic field is anisotropic in the wavenumber plane, which results in highly directional linear sound radiation, whereas the nonlinearly generated waves are almost omni-directional. As part of this analysis, we compare the effectiveness of the linear and nonlinear mechanisms of wave generation within the range of validity of the rapid distortion theory and show the dominance of the linear aerodynamic sound generation. Finally, topological differences between the linear source term of the acoustic analogy equation and of the anisotropic non-normality induced linear mechanism of wave generation are found.« less

Unstable flow structures in the Blasius boundary layer.

PubMed

Wedin, H; Bottaro, A; Hanifi, A; Zampogna, G

2014-04-01

Finite amplitude coherent structures with a reflection symmetry in the spanwise direction of a parallel boundary layer flow are reported together with a preliminary analysis of their stability. The search for the solutions is based on the self-sustaining process originally described by Waleffe (Phys. Fluids 9, 883 (1997)). This requires adding a body force to the Navier-Stokes equations; to locate a relevant nonlinear solution it is necessary to perform a continuation in the nonlinear regime and parameter space in order to render the body force of vanishing amplitude. Some states computed display a spanwise spacing between streaks of the same length scale as turbulence flow structures observed in experiments (S.K. Robinson, Ann. Rev. Fluid Mech. 23, 601 (1991)), and are found to be situated within the buffer layer. The exact coherent structures are unstable to small amplitude perturbations and thus may be part of a set of unstable nonlinear states of possible use to describe the turbulent transition. The nonlinear solutions survive down to a displacement thickness Reynolds number Re * = 496 , displaying a 4-vortex structure and an amplitude of the streamwise root-mean-square velocity of 6% scaled with the free-stream velocity. At this Re* the exact coherent structure bifurcates supercritically and this is the point where the laminar Blasius flow starts to cohabit the phase space with alternative simple exact solutions of the Navier-Stokes equations.

Combined influence of inertia, gravity, and surface tension on the linear stability of Newtonian fiber spinning

NASA Astrophysics Data System (ADS)

Bechert, M.; Scheid, B.

2017-11-01

The draw resonance effect appears in fiber spinning processes if the ratio of take-up to inlet velocity, the so-called draw ratio, exceeds a critical value and manifests itself in steady oscillations of flow velocity and fiber diameter. We study the effect of surface tension on the draw resonance behavior of Newtonian fiber spinning in the presence of inertia and gravity. Utilizing an alternative scaling makes it possible to visualize the results in stability maps of highly practical relevance. The interplay of the destabilizing effect of surface tension and the stabilizing effects of inertia and gravity lead to nonmonotonic stability behavior and local stability maxima with respect to the dimensionless fluidity and the dimensionless inlet velocity. A region of unconditional instability caused by the influence of surface tension is found in addition to the region of unconditional stability caused by inertia, which was described in previous works [M. Bechert, D. W. Schubert, and B. Scheid, Eur. J. Mech B 52, 68 (2015), 10.1016/j.euromechflu.2015.02.005; Phys. Fluids 28, 024109 (2016), 10.1063/1.4941762]. Due to its importance for a particular group of fiber spinning applications, a viscous-gravity-surface-tension regime, i.e., negligible effect of inertia, is analyzed separately. The mechanism underlying the destabilizing effect of surface tension is discussed and established stability criteria are tested for validity in the presence of surface tension.

Visual force sensing with flexible nanowire buckling springs

NASA Astrophysics Data System (ADS)

Dobrokhotov, Vladimir V.; Yazdanpanah, Mehdi M.; Pabba, Santosh; Safir, Abdelilah; Cohn, Robert W.

2008-01-01

A calibrated method of force sensing is demonstrated in which the buckled shape of a long flexible metallic nanowire, referred to as a 'nanoneedle', is interpreted to determine the applied force. An individual needle of 157 nm diameter by 15.6 µm length is grown on an atomic force microscope (AFM) cantilever with a desired orientation (by the method of Yazdanpanah et al 2005 J. Appl. Phys. 98 073510). Using a nanomanipulator the needle is buckled in the chamber of a scanning electron microscope (SEM) and the buckled shapes are recorded in SEM images. Force is determined as a function of deflection for an assumed elastic modulus by fitting the shapes using the generalized elastica model (De Bona and Zelenika 1997 Proc. Inst. Mech. Eng. C 211 509-17). In this calibration the elastic modulus (68.3 GPa) was determined using an auxiliary AFM measurement, with the needle in the same orientation as in the SEM. Following this calibration the needle was used as a sensor in a different orientation than the AFM coordinates to deflect a suspended PLLA polymer fiber from which the elastic modulus (2.96 GPa) was determined. The practical value of the sensing method does depend on the reliability and ruggedness of the needle. In this study the same needle remained rigidly secured to the AFM cantilever throughout the entire SEM/AFM calibration procedure and the characterization of the nanofiber.

Experimental observation of the asymmetric instability of intermediate-reduced-volume vesicles in extensional flow.

PubMed

Dahl, Joanna B; Narsimhan, Vivek; Gouveia, Bernardo; Kumar, Sanjay; Shaqfeh, Eric S G; Muller, Susan J

2016-04-20

Vesicles provide an attractive model system to understand the deformation of living cells in response to mechanical forces. These simple, enclosed lipid bilayer membranes are suitable for complementary theoretical, numerical, and experimental analysis. A recent study [Narsimhan, Spann, Shaqfeh, J. Fluid Mech., 2014, 750, 144] predicted that intermediate-aspect-ratio vesicles extend asymmetrically in extensional flow. Upon infinitesimal perturbation to the vesicle shape, the vesicle stretches into an asymmetric dumbbell with a cylindrical thread separating the two ends. While the symmetric stretching of high-aspect-ratio vesicles in extensional flow has been observed and characterized [Kantsler, Segre, Steinberg, Phys. Rev. Lett., 2008, 101, 048101] as well as recapitulated in numerical simulations by Narsimhan et al., experimental observation of the asymmetric stretching has not been reported. In this work, we present results from microfluidic cross-slot experiments observing this instability, along with careful characterization of the flow field, vesicle shape, and vesicle bending modulus. The onset of this shape transition depends on two non-dimensional parameters: reduced volume (a measure of vesicle asphericity) and capillary number (ratio of viscous to bending forces). We observed that every intermediate-reduced-volume vesicle that extends forms a dumbbell shape that is indeed asymmetric. For the subset of the intermediate-reduced-volume regime we could capture experimentally, we present an experimental phase diagram for asymmetric vesicle stretching that is consistent with the predictions of Narsimhan et al.

Generalized Kubo formulas for the transport properties of incommensurate 2D atomic heterostructures

NASA Astrophysics Data System (ADS)

Cancès, Eric; Cazeaux, Paul; Luskin, Mitchell

2017-06-01

We give an exact formulation for the transport coefficients of incommensurate two-dimensional atomic multilayer systems in the tight-binding approximation. This formulation is based upon the C* algebra framework introduced by Bellissard and collaborators [Coherent and Dissipative Transport in Aperiodic Solids, Lecture Notes in Physics (Springer, 2003), Vol. 597, pp. 413-486 and J. Math. Phys. 35(10), 5373-5451 (1994)] to study aperiodic solids (disordered crystals, quasicrystals, and amorphous materials), notably in the presence of magnetic fields (quantum Hall effect). We also present numerical approximations and test our methods on a one-dimensional incommensurate bilayer system.

The Shock and Vibration Bulletin: Proceedings on the Symposium on ShocK and Vibration (52nd) Held in New Orleans, Louisiana on 26-28 October 1981. Part 4. Fatigue and Random Loading Control, Isolation and Damping

DTIC Science & Technology

1982-05-01

functions for every ergodic ensemble or process, but this frequency for each time-acceleration involves in principle a different kind data input, but...geometries Journal Phys. E: Sci. Instrum. 14, (solid and hollow) are different . 202-207. 5. CONCLUSION It has been shown in principle that tests with a...Center, Huntsville, AL SPACE SIIUI’LE SOLID ROCKE FIOOSTEIt WATER ENTRY CAVITY COLLAPSE LOADS I. T. Keefe and E. A. Rawls , Chrysler Corporation, Slidell

Prime Contract Awards by Service Category and Federal Supply Classification, Fiscal Years 1988, 1987, 1986, and 1985

DTIC Science & Technology

1988-01-01

SVCS/ENGINES & TURBINES 189 127 633 588 H230 EQUIP TESTING SVCS/MECH POWER TRANS EQ 0 51 0 0 H238 EQUIP TESTING SVCS/CONSTRUCTION EQUIP 255 0 560 350...26,720 31,352 3030 MAINT-REPAIR OF EQ/MECH POWER TRANS EQ 291 437 1,002 1,445 J031 MAINT-REPAIR OF EQ/BEARINGS 490 566 559 603 J032 rAINT-REPAIR OF EQ...EQ/ POWER DISTRIBUTION EQ 1,793 2,514 4,678 4,577 3062 MAINT-REPAIR OF EQ/LIGHTING FIXTURES 30 298 37 58 3063 MAINT-REPAIR OF EQ/ALARM & SIGNAL SYSTEM

Eulerian particle flamelet modeling of a bluff-body CH{sub 4}/H{sub 2} flame

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

Odedra, Anand; Malalasekera, W.

2007-11-15

In this paper an axisymmetric RANS simulation of a bluff-body stabilized flame has been attempted using steady and unsteady flamelet models. The unsteady effects are considered in a postprocessing manner through the Eulerian particle flamelet model (EPFM). In this model the transient history of scalar dissipation rate, conditioned by stoichiometric mixture fraction, is required to generate unsteady flamelets and is obtained by tracing Eulerian particles. In this approach unsteady convective-diffusive transport equations are solved to consider the transport of Eulerian particles in the domain. Comparisons of the results of steady and unsteady calculations show that transient effects do not havemore » much influence on major species, including OH, and the structure of the flame therefore can be successfully predicted by steady or unsteady approaches. However, it appears that slow processes such as NO formation can only be captured accurately if unsteady effects are taken into account, while steady simulations tend to overpredict NO. In this work turbulence has been modeled using the Reynolds stress model. Predictions of velocity, velocity rms, mean mixture fraction, and its rms show very good agreement with experiments. Performance of three detailed chemical mechanisms, the GRI Mech 2.11, the San Diego mechanism, and the GRI Mech 3.0, has also been evaluated in this study. All three mechanisms performed well with both steady and unsteady approaches and produced almost identical results for major species and OH. However, the difference between mechanisms and flamelet models becomes clearly apparent in the NO predictions. The unsteady model incorporating the GRI Mech 2.11 provided better predictions of NO than steady calculations and showed close agreement with experiments. The other two mechanisms showed overpredictions of NO with both unsteady and steady models. The level of overprediction is severe with the steady approach. GRI Mech 3.0 appears to overpredict NO by a factor of 2 compared to GRI Mech 2.11. The NO predictions by the San Diego mechanism fall between those of the two GRI mechanisms. The present study demonstrates the success of the EPFM model and when used with the GRI 2.11 mechanism predicts all flame properties and major and minor species very well, and most importantly the correct NO levels. (author)« less

Simulation of vibrational dephasing of I(2) in solid Kr using the semiclassical Liouville method.

PubMed

Riga, Jeanne M; Fredj, Erick; Martens, Craig C

2006-02-14

In this paper, we present simulations of the decay of quantum coherence between vibrational states of I(2) in its ground (X) electronic state embedded in a cryogenic Kr matrix. We employ a numerical method based on the semiclassical limit of the quantum Liouville equation, which allows the simulation of the evolution and decay of quantum vibrational coherence using classical trajectories and ensemble averaging. The vibrational level-dependent interaction of the I(2)(X) oscillator with the rare-gas environment is modeled using a recently developed method for constructing state-dependent many-body potentials for quantum vibrations in a many-body classical environment [J. M. Riga, E. Fredj, and C. C. Martens, J. Chem. Phys. 122, 174107 (2005)]. The vibrational dephasing rates gamma(0n) for coherences prepared between the ground vibrational state mid R:0 and excited vibrational state mid R:n are calculated as a function of n and lattice temperature T. Excellent agreement with recent experiments performed by Karavitis et al. [Phys. Chem. Chem. Phys. 7, 791 (2005)] is obtained.

Direct observation of bulk Fermi surface at higher Brillouin zones in a heavily hole-doped cuprate

NASA Astrophysics Data System (ADS)

Al-Sawai, W.; Sakurai, Y.; Itou, M.; Barbiellini, B.; Mijnarends, P. E.; Markiewicz, R. S.; Kaprzyk, S.; Gillet, J.-M.; Wakimoto, S.; Fujita, M.; Basak, S.; Lin, H.; Bansil, A.; Yamada, K.

2010-03-01

We have observed the bulk Fermi surface (FS) in an overdoped (x=0.3) single crystal of La2-xSrxCuO4 by using Compton scattering. A 2-D momentum density reconstruction [1] from measured Compton profiles, yields a clear FS signature in a higher Brillouin zone centered at p=(1.5,1.5) a.u. The quantitative agreement with density functional theory (DFT) calculations [2] and momentum density experiment suggests that Fermi-liquid physics is restored in the overdoped regime. We have also measured the 2-D angular correlation of positron annihilation radiation (2D-ACAR) [3] and noticed a similar quantitative agreement with the DFT simulations. However, 2D-ACAR does not give a clear signature of the FS in the extended momentum space in both theory and experiment. Work supported in part by the US DOE.[1] Y. Tanaka et al., Phys. Rev. B 63, 045120 (2001).[2] S. Sahrakorpi et al., Phys. Rev. Lett. 95, 157601 (2005).[3] L. C. Smedskjaer et al., J. Phys. Chem. Solids 52, 1541 (1991).

X-ray Diffraction Study of Molybdenum to 900 GPa

NASA Astrophysics Data System (ADS)

Wang, J.; Coppari, F.; Smith, R.; Eggert, J.; Boehly, T.; Collins, G. W.; Duffy, T. S.

2013-12-01

Molybdenum (Mo) is a transition metal that is important as a high-pressure standard. Its equation of state, structure, and melting behavior have been explored extensively in both experimental and theoretical studies. Melting data up to the Mbar pressure region from static compression experiments in the diamond anvil cell [Errandonea et al. 2004] are inconsistent with shock wave sound velocity measurements [Hixson et al., 1989]. There are also conflicting reports as to whether body-centered cubic (BCC) Mo transforms to a face-centered cubic (FCC), hexagonal close packed (HCP) or double hexagonal close packed (DHCP) structure at either high pressure or high pressure and temperature conditions [Belonoshko et al. 2008, Mikhaylushkin et al., 2008 and Cazorla et al., 2008]. Recently, a phase transition from BCC to the DHCP phase at 660 GPa and 0 K was predicted using the particle swam optimization (PSO) method (Wang et al, 2013). Here we report an x-ray diffraction study of dynamically compressed molybdenum. Experiments were conducted using the Omega laser at the Laboratory for Laser Energetics at the University of Rochester. Mo targets were either ramp or shock compressed using a laser drive. In ramp loading, the sample is compressed sufficiently slowly that a shock wave does not form. This results in lower temperatures, keeping the sample in the solid state to higher pressures. X-ray diffraction measurements were performed using quasi-monochromatic x-rays from a highly ionized He-α Cu source and image plate detectors. Upon ramp compression, we found no evidence of phase transition in solid Mo up to 900 GPa. The observed peaks can be assigned to the (110) and (200) or (220) reflections of BCC Mo up to the highest pressure, indicating that Mo does not melt under ramp loading to maximum pressure reached. Under shock loading, we did not observe any evidence for the solid-solid phase transformation around 210 GPa as reported in previous work (Hixson et al, 1989). The BCC phase of Mo remained stable along the Hugoniot up to at least 350 GPa. Our observation of diffraction peaks from shocked Mo shows that Hugoniot does not cross the melting curve until at least this pressure. This indicates that previous diamond cell experiments (Errandonea et al., 2004) have underestimated the Mo melting curve. We acknowledge the Omega staff at LLE for their assistance, and the Target Engineering Team at LLNL for fabrication of the targets used in these experiments. The research was supported by NNSA/DOE through the National Laser Users' Facility Program under contracts DE-NA0000856 and DE-FG52-09NA29037. References: [1] R.S. Hixson, D.A. Boness, and J.W. Shaner, Phys. Rev. Lett., 62, 637 (1989). [2] D. Errandonea, B. Schwager, R. Ditz, C. Gessmann, R. Boehler, and M. Ross, Phys. Rev. B, 63, 132104 (2004). [3] A.B. Belonoshko, L. Burakovsky, S.P. Chen, B. Johansson, A.S. Mikhaylushkin, D.L. Preston, S.I. Simak, and D.C. Swift, Phys. Rev. Lett., 100, 135701 (2008). [4] C. Cazorla, D. Alfè, and M.J. Gillan, Phys. Rev. Lett. 101, 049601 (2008). [5] A.S. Mikhaylushkin, S.I. Simak ,L. Burakovsky, S.P. Chen, B. Johansson, D.L. Preston, D.C. Swift, and A.B. Belonoshko Phys. Rev. Lett., 101, 049602 (2008). [6] B. Wang, G. Zhang, and Y. Wang, J. Alloys Compd., 556, 116-120, (2013).

Dynamics of ultrathin metal films on amorphous substrates under fast thermal processing

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

Favazza, Christopher; Kalyanaraman, Ramki; Sureshkumar, Radhakrishna

A mathematical model is developed to analyze the growth/decay rate of surface perturbations of an ultrathin metal film on an amorphous substrate (SiO{sub 2}). The formulation combines the approach of Mullins [W. W. Mullins, J. Appl. Phys. 30, 77 (1959)] for bulk surfaces, in which curvature-driven mass transport and surface deformation can occur by surface/volume diffusion and evaporation-condensation processes, with that of Spencer et al. [B. J. Spencer, P. W. Voorhees, and S. H. Davis, Phys. Rev. Lett. 67, 26 (1991)] to describe solid-state transport in thin films under epitaxial strain. Modifications of the Mullins model to account for thin-filmmore » boundary conditions result in qualitatively different dispersion relationships especially in the limit as kh{sub o}<<1, where k is the wavenumber of the perturbation and h{sub o} is the unperturbed film height. The model is applied to study the relative rate of solid-state mass transport as compared to that of liquid phase dewetting in a thin film subjected to a fast thermal pulse. Specifically, we have recently shown that multiple cycles of nanosecond (ns) pulsed laser melting and resolidification of ultrathin metal films on amorphous substrates can lead to the formation of various types of spatially ordered nanostructures [J. Trice, D. Thomas, C. Favazza, R. Sureshkumar, and R. Kalyanaraman, Phys. Rev. B 75, 235439 (2007)]. The pattern formation has been attributed to the dewetting of the thin film by a hydrodynamic instability. In such experiments the film is in the solid state during a substantial fraction of each thermal cycle. However, results of a linear stability analysis based on the aforementioned model suggest that solid-state mass transport has a negligible effect on morphological changes of the surface. Further, a qualitative analysis of the effect of thermoelastic stress, induced by the rapid temperature changes in the film-substrate bilayer, suggests that stress relaxation does not appreciably contribute to surface deformation. Hence, surface deformation caused by liquid phase instabilities is rapidly quenched-in during the cooling phase. This deformed state is further evolved by subsequent laser pulses. These results have implications to developing accurate computer simulations of thin-film dewetting by energetic beams aimed at the manufacturing of optically active nanoscale materials for applications including information processing, optical devices, and solar energy harvesting.« less

Dynamics of ultrathin metal films on amorphous substrates under fast thermal processing

NASA Astrophysics Data System (ADS)

Favazza, Christopher; Kalyanaraman, Ramki; Sureshkumar, Radhakrishna

2007-11-01

A mathematical model is developed to analyze the growth/decay rate of surface perturbations of an ultrathin metal film on an amorphous substrate (SiO2). The formulation combines the approach of Mullins [W. W. Mullins, J. Appl. Phys. 30, 77 (1959)] for bulk surfaces, in which curvature-driven mass transport and surface deformation can occur by surface/volume diffusion and evaporation-condensation processes, with that of Spencer etal . [B. J. Spencer, P. W. Voorhees, and S. H. Davis, Phys. Rev. Lett. 67, 26 (1991)] to describe solid-state transport in thin films under epitaxial strain. Modifications of the Mullins model to account for thin-film boundary conditions result in qualitatively different dispersion relationships especially in the limit as kho≪1, where k is the wavenumber of the perturbation and ho is the unperturbed film height. The model is applied to study the relative rate of solid-state mass transport as compared to that of liquid phase dewetting in a thin film subjected to a fast thermal pulse. Specifically, we have recently shown that multiple cycles of nanosecond (ns) pulsed laser melting and resolidification of ultrathin metal films on amorphous substrates can lead to the formation of various types of spatially ordered nanostructures [J. Trice, D. Thomas, C. Favazza, R. Sureshkumar, and R. Kalyanaraman, Phys. Rev. B 75, 235439 (2007)]. The pattern formation has been attributed to the dewetting of the thin film by a hydrodynamic instability. In such experiments the film is in the solid state during a substantial fraction of each thermal cycle. However, results of a linear stability analysis based on the aforementioned model suggest that solid-state mass transport has a negligible effect on morphological changes of the surface. Further, a qualitative analysis of the effect of thermoelastic stress, induced by the rapid temperature changes in the film-substrate bilayer, suggests that stress relaxation does not appreciably contribute to surface deformation. Hence, surface deformation caused by liquid phase instabilities is rapidly quenched-in during the cooling phase. This deformed state is further evolved by subsequent laser pulses. These results have implications to developing accurate computer simulations of thin-film dewetting by energetic beams aimed at the manufacturing of optically active nanoscale materials for applications including information processing, optical devices, and solar energy harvesting.

Observation of an Ultrahard Phase of Graphite Quenched from High-pressure

DTIC Science & Technology

2011-02-01

Polycrystalline NaCl at High Pressures and 300 °K. J. Geophys. Res. 1978, 83, 1257–1268. 23. Selvi , E.; Ma, Y.; Askoy, R.; Ertas, A.; White, A. High...Pressure X-ray Diffraction Study of Tungsten Disulfide. J. Phys. Chem. Solids 2006, 67, 2183–2186. 24. Askoy, R.; Ma, Y.; Selvi , E.; Chyu, M. C

New phase in solid nitrogen at high pressures

NASA Astrophysics Data System (ADS)

Grimsditch, M.

1985-07-01

A Brillouin scattering study of nitrogen up to pressures of 21 GPa shows a phase transition with pronounced hysteresis at 16.5 GPa. This phase transition is consistent with recent Raman measurements of Buchsbaum, Mills, and Schiferl [J. Phys. Chem. 88, 2522 (1984)] which could be interpreted as either a deformation of the lattice or the appearance of a new phase.

New phase in solid nitrogen at high pressures

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

Grimsditch, M.

1985-07-01

A Brillouin scattering study of nitrogen up to pressures of 21 GPa shows a phase transition with pronounced hysteresis at 16.5 GPa. This phase transition is consistent with recent Raman measurements of Buchsbaum, Mills, and Schiferl (J. Phys. Chem. 88, 2522 (1984)) which could be interpreted as either a deformation of the lattice or the appearance of a new phase.

Solid-State 15N NMR of 15N-Labeled Nylon 6 and Nylon 11

DTIC Science & Technology

1990-05-22

S. Veeman, E. M. Menger, W. Ritchey, and E. de Boer, Macromolecules, 1979, 12, 924. 2. A. N. Garroway , W. M. Ritchey and W. B. Moniz, Macromolecules...S. Veeman and E. M. Menger, Bull. Magn. Reson., 1980, 2, 77. 26. D. L. VanderHart and A. N. Garroway , J. Chem. Phys., 1979, 71, 2773. 27. M. D

Synthesis and Functionalization of Atomic Layer Boron Nitride Nanosheets for Advanced Material Applications

DTIC Science & Technology

2014-06-05

PAGES 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 5c. PROGRAM ELEMENT NUMBER 5b. GRANT NUMBER 5a. CONTRACT NUMBER Form Approved OMB...Phys., 89, (2001) 5243. [14] M. Depas, R. L. Van Meirhaegue, W. H. Laflère, F. Cardon , Solid- State Electron, 37, (1994) 433. [15] Muhammad Sajjad

Nonlinear waves in solids with slow dynamics: an internal-variable model.

PubMed

Berjamin, H; Favrie, N; Lombard, B; Chiavassa, G

2017-05-01

In heterogeneous solids such as rocks and concrete, the speed of sound diminishes with the strain amplitude of a dynamic loading (softening). This decrease, known as 'slow dynamics', occurs at time scales larger than the period of the forcing. Also, hysteresis is observed in the steady-state response. The phenomenological model by Vakhnenko et al. (2004 Phys. Rev. E 70, 015602. (doi:10.1103/PhysRevE.70.015602)) is based on a variable that describes the softening of the material. However, this model is one dimensional and it is not thermodynamically admissible. In the present article, a three-dimensional model is derived in the framework of the finite-strain theory. An internal variable that describes the softening of the material is introduced, as well as an expression of the specific internal energy. A mechanical constitutive law is deduced from the Clausius-Duhem inequality. Moreover, a family of evolution equations for the internal variable is proposed. Here, an evolution equation with one relaxation time is chosen. By construction, this new model of the continuum is thermodynamically admissible and dissipative (inelastic). In the case of small uniaxial deformations, it is shown analytically that the model reproduces qualitatively the main features of real experiments.

Blowpipe Mineralogy for Physics/Environment: Highest-Possible-Tc SC Quest; BOTH PERMANENT FOREVER Carb-IDES SOLID-State Sequestration AND Drought(s)-Elimination

NASA Astrophysics Data System (ADS)

Segler, Kurt; Williams, W.; Siegel, E.

2010-03-01

Detailed are old blowpipe[Kraus,Hunt,Ramsdell, Mineralogy (1936)] new applications:charcoal-block reduction of borates to yield (``N-NW'' of MgB2) Overhauser-[PR 35,1,411(1987); Intl.J.Mod.Phys.1,2 & 4,927(1987)]-``land'' predicted high-EST- POSSIBLE Tc SC ˜ ``LiD2''; very-early: Siegel[Phys.Stat.Sol.(a) 11,45(1972);Semiconductors & Insulators 5: 39,47,62(1979)] carb- IDES SOLID-state phase-TRANSITIONED CHEMICALLY-REDOX"-REACTED STABLE PERMANENT LONG-term STRATEGY, NOT ``CO2" BUT NON-gas Carbon-``ELEMENT"-sequestration: PROFITABLE MARKETABLE SALEABLE VALUABLE USEFUL ``Grab and Sell" TRUMPS ``cap and trade"!!!; Mott alloying/vertical metal-insulator transitions in ``borax-(GLASS)- beads"; and very-early Siegel [3rd Intl.Conf.Alt.Energy,Hemi- sphere/Springer(1980)-vol.5/p.459] ``FLYING-WATER" ``Hindenberg- effect"(H2-UP;H2O-DOWN) via H2-maximal-Archimedes-buoyancy ``chemical-rain-in-piplines", only via Siegel GMR enabled diffusive-magnetoresistance(DMR)enabled Siegel proprietary ``magnetic-H-valve": Renewables-H2-H2O purposely flexible versatile agile scaleable retrofitable integrated operating- system for PERMANENT drought(s)-elimination FOREVER!!!

Accelerated transport and growth with symmetrized dynamics

NASA Astrophysics Data System (ADS)

Merikoski, Juha

2013-12-01

In this paper we consider a model of accelerated dynamics with the rules modified from those of the recently proposed [Dong et al., Phys. Rev. Lett. 109, 130602 (2012), 10.1103/PhysRevLett.109.130602] accelerated exclusion process (AEP) such that particle-vacancy symmetry is restored to facilitate a mapping to a solid-on-solid growth model in 1+1 dimensions. In addition to kicking a particle ahead of the moving particle, as in the AEP, in our model another particle from behind is drawn, provided it is within the "distance of interaction" denoted by ℓmax. We call our model the doubly accelerated exclusion process (DAEP). We observe accelerated transport and interface growth and widening of the cluster size distribution for cluster sizes above ℓmax, when compared with the ordinary totally asymmetric exclusion process (TASEP). We also characterize the difference between the TASEP, AEP, and DAEP by computing a "staggered" order parameter, which reveals the local order in the steady state. This order in part explains the behavior of the particle current as a function of density. The differences of the steady states are also reflected by the behavior of the temporal and spatial correlation functions in the interface picture.

Numerical study of the effects of surface topography and chemistry on the wetting transition using the string method

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

Zhang, Yanan, E-mail: ynzhang@suda.edu.cn; Ren, Weiqing, E-mail: matrw@nus.edu.sg; Institute of High Performance Computing, Singapore 138632

2014-12-28

Droplets on a solid surface patterned with microstructures can exhibit the composite Cassie-Baxter (CB) state or the wetted Wenzel state. The stability of the CB state is determined by the energy barrier separating it from the wetted state. In this work, we study the CB to Wenzel transition using the string method [E et al., J. Chem. Phys. 126, 164103 (2007); W. Ren and E. Vanden-Eijnden, J. Chem. Phys. 138, 134105 (2013)]. We compute the transition states and energy barriers for a three-dimensional droplet on patterned surfaces. The liquid-vapor coexistence is modeled using the mean field theory. Numerical results aremore » obtained for surfaces patterned with straight pillars and nails, respectively. It is found that on both type of surfaces, wetting occurs via infiltration of the liquid in a single groove. The reentrant geometry of nails creates large energy barrier for the wetting of the solid surface compared to straight pillars. We also study the effect of surface chemistry, pillar height, and inter-pillar spacing on the energy barrier and compare it with nails.« less

David Adler Lectureship Award in the Field of Materials Physics Talk: Surfaces of Quasicrystals

NASA Astrophysics Data System (ADS)

Thiel, Patricia

2010-03-01

Quasiperiodic order is recognized (in a utilitarian, rather than a mathematical sense) by the absence of periodicity, concurrent with a classically-forbidden rotational symmetry. It is quite beautiful, having captured the attention of scientists and artists alike. Following the discovery of quasiperiodic order in a real system,footnotetextD. Shechtman, I. Blech, D. Gratias, and J.W. Cahn, Phys. Rev. Lett. 53, 1951 (1984). many metallic alloys and intermetallics were found to exhibit this type of order on the atomic scale. More recently ``soft'' quasicrystals were discovered,footnotetextL. Bindi, P.J. Steinhardt, N. Yao, and P.J. Lu, Science 324, 1306 (2009). and nanocrystalline arrays were found to spontaneously adopt quasiperiodic order.footnotetextD.V. Talapin, E.V. Shevchenko, M.I. Bodnarchuk, X. Ye, J. Chen, and C.B. Murray, Nature 461 , 964 (2009). From a scientific perspective, quasicrystals are alluring because they allow us to test the relationship between atomic structure and physical properties. This talk deals with the ways in which our understanding of solid surfaces has been both enriched and challenged by these complex materials.footnotetextP. Thiel, Annu. Rev. Phys. Chem. (2008).^,footnotetextV. Fourn'ee, J. Ledieu, and P. Thiel, J. Phys: Condens. Matter. 20, 3310301 (2008). properties of the metallic quasicrystals originally generated interest because they were unusual.footnotetextJ.M. Dubois, Useful Quasicrystals(World Scientific, Singapore, 2005). For instance, among Al-rich alloys, the Al-based quasicrystalline phases exhibit puzzling resistance to surface oxidation. Also, Al-rich quasicrystals have surprisingly good and promising catalytic properties (e.g. for steam reforming of methanol).footnotetextA.P. Tsai and M. Yoshimura, Appl. Cat. A: General 214 , 237 (2001). Perhaps most famously, they exhibit low friction.^7 Comparisons with crystalline materials have established that these features are deeply related to the quasiperiodic atomic structure. talk focuses, first, on the ways that surfaces of quasicrystals are unusual templates for adsorption and solid film growth.footnotetextV. Fourn'ee and P.A. Thiel, J. Phys. D: Appl. Phys. 38, R83 (2005). They can enforce quasicrystalline structure in films,footnotetextK.J. Franke, H.R. Sharma, W. Theis, P. Gille, P. Ebert, and K.H. Rieder, Phys. Rev. Lett. 89, 156104 (2002). opening the door to exploration of the properties of materials in such an ``unnatural'' state. The electronic structure at quasicrystal surfaces can affect film morphology through a quantum size effect.footnotetextV. Fourn'ee, H.R. Sharma, M. Shimoda, A.P. Tsai, B. Unal, A.R. Ross, T.A. Lograsso, and P.A. Thiel, Phys. Rev. Lett. 95, 155504 (2005).^,footnotetextB. "Unal, V. Fourn'ee, P.A. Thiel, and J.W. Evans, Phys. Rev. Lett. 102, 196103 (2009). Quasicrystal surfaces have broad ensembles of adsorption sites,footnotetextB. "Unal, C.J. Jenks, and P.A. Thiel, J. Phys: Condens. Matter. 21, 055009 (2009). including trap sites that may lead to quasi-periodic arrays of islands.footnotetextT. Cai, J. Ledieu, R. McGrath, V. Fourn'ee, T.A. Lograsso, A.R. Ross, and P.A. Thiel, Surface Sci. 526, 115 (2003).^,footnotetextB. Unal, V. Fourn'ee, K.J. Schnitzenbaumer, C. Ghosh, C.J. Jenks, A.R. Ross, T.A. Lograsso, J.W. Evans, and P.A. Thiel, Phys. Rev. B 75, 064205 (2007). This talk also focuses on their low friction, when measured with techniques that probe macroscopic scales (conventional pin-on-disk tribometers) to nanoscopic scales (atomic force microscopy).footnotetext5. J.Y. Park, D.F. Ogletree, M. Salmeron, R.A. Ribeiro, P.C. Canfield, C.J. Jenks, and P.A. Thiel, Science , 1354 (2005).

Analysis on establishing Chang'E-3 landing site as a reflectance calibration target

NASA Astrophysics Data System (ADS)

Liu, Bin; Fu, Xiaohui; Zeng, Xingguo; Yao, Meijuan; Zhang, Hongbo; Su, Yan; Zhao, Shu; Xue, Xiping; Li, Chunlai; Zou, Yongliao

2015-04-01

Recent lunar orbital observations suggested that the surface reflectance calculated based on the Apollo 16 standard area and Apollo 16 sample laboratory measurement is significantly different from its true value [1-3], one reason is the composition and maturity differences between the 62231 sampling site and the Apollo 16 standard site existed, the other reason is the physical properties of the returned lunar sample, such as porosity, have been changed during the sampling operations. So more new standard targets on the Moon, besides the widely used Apollo 16 area, are needed for imaging spectrometers on lunar missions to improve their reflectance calibration accuracies. The Chang'E-3 VIS/NIR Imaging Spectrometer (VNIS), which is just fixed at the front of the Yutu rover [4], equipped with a white spectralon panel as reflectance calibration standard, can perform in situ multispectral observations around the Chang'E-3 landing site without altering the physical and mineralogical natures of lunar soils. Therefore, it provides an opportunity to establish a new reliable standard target for in-flight reflectance calibration. The reflectance calibration target should be compositional homogeneous, the topography of which must be flat, and the reflectance should be identical with no nearby units of other different materials. As we have known, Chang'e-3 probe landed on the Mare Imbrium basin in the east part of Sinus Iridum, the landing site is relatively flat at a spatial coverage of ~660km2, and this region belongs to Eratosthenian low-Ti/high-Ti mare basalts [5-6]. According to much higher resolution topography data, elemental data and reflectance data of Chang'E-2 and Chang'E-3[7-8], we preliminary analyse the possibility on establishing Chang'E-3 landing site as a reflectance calibration target. Firstly, the overall terrain of the 4 km×4 km area around the landing site is flat, but there are still three bigger craters existed. Secondly, the composition on Chang'E-3 landing site is homogeneous according to the two detection results of APXS on elements in lunar soil. At last, we compare and scale the four detection points' reflectance of VNIS, which demonstrate that the reflectance of the landing site are quite similar at the spectral range 450nm-1750nm, but differences still existed beyond 1750nm. Future work is still needed, such as photometric calibration of VNIS data, and errors estimation on reflectance calculation. Besides, the location and spatial coverage of the reflectance calibration target should be determined and its calibration accuracy should be evaluated. Acknowledgements: This work was supported by the National Natural Science Foundation of China (No.11403049 and 41490633). References: [1] J. K. Hillier et al., (1999) Icarus, 141, 205-225. [2] M. Ohtake et al., (2010) Space Sci. Rev., 154, 57-77. [3] M. Ohtake et al., (2010) Icarus, 226, 364-374. [4] B. Liu et al., (2014) RAA, 14, 1674. [5] L. Qiao et al., (2013) Sci Sin-Phys Mech Astron, 43, 1370-1386. [6] J. N. Zhao et al., (2014) Sci China-Phys Mech Astron, 57, 569-576. [7] C. L. Li et al., (2014) RAA, 14, 1514. [8] X. H. Fu et al., (2014) RAA, 14, 1595.

PREFACE: Classical density functional theory methods in soft and hard matter Classical density functional theory methods in soft and hard matter

NASA Astrophysics Data System (ADS)

Haataja, Mikko; Gránásy, László; Löwen, Hartmut

2010-08-01

Herein we provide a brief summary of the background, events and results/outcome of the CECAM workshop 'Classical density functional theory methods in soft and hard matter held in Lausanne between October 21 and October 23 2009, which brought together two largely separately working communities, both of whom employ classical density functional techniques: the soft-matter community and the theoretical materials science community with interests in phase transformations and evolving microstructures in engineering materials. After outlining the motivation for the workshop, we first provide a brief overview of the articles submitted by the invited speakers for this special issue of Journal of Physics: Condensed Matter, followed by a collection of outstanding problems identified and discussed during the workshop. 1. Introduction Classical density functional theory (DFT) is a theoretical framework, which has been extensively employed in the past to study inhomogeneous complex fluids (CF) [1-4] and freezing transitions for simple fluids, amongst other things. Furthermore, classical DFT has been extended to include dynamics of the density field, thereby opening a new avenue to study phase transformation kinetics in colloidal systems via dynamical DFT (DDFT) [5]. While DDFT is highly accurate, the computations are numerically rather demanding, and cannot easily access the mesoscopic temporal and spatial scales where diffusional instabilities lead to complex solidification morphologies. Adaptation of more efficient numerical methods would extend the domain of DDFT towards this regime of particular interest to materials scientists. In recent years, DFT has re-emerged in the form of the so-called 'phase-field crystal' (PFC) method for solid-state systems [6, 7], and it has been successfully employed to study a broad variety of interesting materials phenomena in both atomic and colloidal systems, including elastic and plastic deformations, grain growth, thin film growth, solid-liquid interface properties, glassy dynamics, nucleation and growth, and diffusive phase transformations at the nano- and mesoscales [8-16]. The appealing feature of DDFT (as applied to solid-state systems) is that it automatically incorporates diffusive dynamics with atomic scale spatial resolution, and it naturally incorporates multiple components, elastic strains, dislocations, free surfaces, and multiple crystalline orientations; all of these features are critical in modeling the behavior of solid-state systems. Similarities between the problems of interest to the two communities and the complementary nature of the methods they apply suggest that a direct interaction between them should be highly beneficial for both parties. Here we summarize some of the discussions during a three-day CECAM workshop in Lausanne (21-23 October 2009) which was organized in order to bring together researchers from the complex fluids and materials science communities and to foster the exchange of ideas between these two communities. During the course of the workshop, several open problems relevant to both fields (DFT and PFC) were identified, including developing better microscopically-informed density functionals, incorporating stochastic fluctuations, and accounting for hydrodynamic interactions. The goal of this special issue is to highlight recent progress in DFT and PFC approaches, and discuss key outstanding problems for future work. The rest of this introductory paper is organized as follows. In section 2, we give a brief overview of the current research topics addressed in this special issue. Then, in section 3, we present a collection of outstanding problems, which have been identified as important for further developments of the two fields and intensely debated at the CECAM workshop. Finally, we close the paper with a few concluding remarks. 2. Research topics addressed in this special issue This special issue consists of research papers that cover a broad range of interesting subjects, about a half of which are related to the theoretical materials science community and the other half came from the soft-matter community. We begin by discussing papers related to PFC. Diverse subjects related to the phase-field crystal model include exciting topics such as predicting/controlling the equilibrium phase behavior [19, 18, 17] and kinetics of epitaxial island formation on nano-membranes [20]. Moreover, phase-field crystal modeling has proved to be very successful in simulating homogeneous and heterogeneous crystal nucleation and growth, and several aspects of these phenomena are discussed in this issue [18, 21]. Finally, it is shown how to incorporate additional orientational degrees of freedom within the PFC approach to model liquid crystals [22]. On the DFT side, the other papers in this special issue deal with problems associated with advanced DFT techniques and applications. The existence of a structural instability in sub-critical crystalline fluctuations in a supercooled liquid within a square-gradient theory is discussed in [23]. Fundamental measure theory for hard-body systems is improved by discussing a correction term in detail, as discussed in [24]. A mean-field-like density functional for charges is applied to the effective interaction between charged colloids obtained within a cell model [25]. The remaining articles provide fundamental insight into how to supplement DDFT-type methods with hydrodynamics [26, 27], highlight the role of the projection operator technique in deriving dynamical density functional theories [28], and demonstrate how perturbation methods can be employed to compute the properties of solid-liquid interfaces [29]. This particular collection of papers demonstrates rather convincingly the significant potential that classical density functional techniques possess in modeling complex systems built of either soft or hard matter (or combinations thereof). While the PFC approach offers a simple and appealing means to simulate evolving microstructures in spatially extended system with atomic scale spatial resolution over diffusive time scales, DFT provides both its theoretical underpinning and (hopefully) the means to construct microscopically more quantitative density functionals for use in engineering materials. Outstanding issues within the PFC and DFT approaches, discussed next, will provide further opportunities for interactions between the PFC and DFT communities. 3. Important open issues and exciting avenues for further research In the following we summarize some of the exciting topics for future research, which were discussed during the CECAM workshop. They concern both fundamental problems and applications, all within the framework of DFT and PFC. Addressing these issues will provide a framework for future work in these two overlapping fields. (a) How to construct a reliable density functional (DF) for soft repulsions? Most of the recent developments in classical density functional theory were focussed on hard-sphere-like interactions in the framework of fundamental-measure-theory (FMT) [30-33]. While this approach can be extended to additive and nonadditive mixtures [34, 35] and to non-spherical hard objects [36, 37], it is much more difficult to include soft-core interactions, such as inverse-power-law pair-potentials. There have been attempts to include those, mainly using the Ramakrishnan-Yussouff [38] or the weighted-density [39-41] approximation, or other modifications (see e.g., [42, 43]), but the accuracy of these functionals are inferior to that of FMT for hard spheres. Clearly the FMT of Rosenfeld needs an extension for the hard-core Coulomb system. A complementary approach is to start from a density functional for hard orientable objects [36] and to integrate out the orientational degrees of freedom. This would lead to a softened effective repulsion between spherical objects. We mention finally that in the extreme limit of ultrasoft pair potentials, which are penetrable, the mean-field approximation provides a reliable functional [44]. (b) How to construct a reliable DF beyond perturbation theory? This is the key to developing accurate, predictive functionals for use in materials science problems. Typically an attractive tail in the interparticle interaction is treated within thermodynamic hard-sphere perturbation theory [45, 46], in most cases at the mean-field level. As this perturbative approach is only justified for weak attraction strengths, there is a great need to go beyond this perturbation theory. A general non-perturbative route, which could be helpful here, is to consider a functional for a mixture and reducing it to an effective one-component system. Following this idea, for example effective depletion attractions can be modeled for a one-component system by starting from the binary Asakura-Oosawa functional [34, 35]. This idea still needs to be exploited in a more general sense, i.e. for more general cross-interactions in the mixture. It could also be combined with the idea of using non-spherical hard objects and integrating out the orientational degrees of freedom. (c) How to apply the fundamental measure theory to the full phase diagram of lyotropic liquid crystals? There are already density-functional investigations of liquid-crystal phases of hard spherocylinders [47, 48], but the novel fundamental-measure-theory which was recently proposed for non-spherical objects[36] has never been applied to this problem. In fact, this new functional now needs numerical evaluation for liquid-crystal phases different from isotropic and nematic ones, such as smectic, columnar, plastic crystalline and full orientational ordered crystalline phases [49, 50]. This is mainly a pure numerical resolution problem since the density fields are sharply peaked in the solid phases and need enough grid points, which is at the moment a rather formidable challenge in three spatial dimensions. However, if only orientational degrees of freedoms are considered, the computational effort is greatly reduced; see, e.g., [36, 51, 52]. (d) The role of fluctuations in DDFT and PFC. There is a continuing debate about the role of noise in the dynamical density functional theory (see e.g. [53]) and correspondingly also in the phase-field crystal models. Derivations of DDFT from the Smoluchowski level [54] and also within the projection operator technique [5] quite naturally lead to a deterministic equation without any noise. Clearly this is an approximation, which becomes problematic in the vicinity of a critical point or in the case of nucleation problems, where the system has to leave a metastable minimum of the free energy; in the former case, fluctuations are required in order to capture the correct critical behavior (i.e., critical exponents), while in the latter case, fluctuations are needed to establish an escape route of the system from a metastable phase. Other approaches add noise on a more phenomenological level. However, the actual strength of the noise, though fundamentally correlated with the thermal energy, is not known exactly and is treated in most applications as a phenomenological fit parameter; see, e.g., [55, 56]. This problem is a very fundamental one, and, of course, shared by the DDFT and PFC approaches. In more general terms, the addition of noise to the equation of motion in continuum models is not without conceptual difficulties (see [57]), even if noise is properly discretized in the course of the numerical integration. With the noise added, the equilibrium physical properties of the system change. Furthermore, transformation kinetics generally depend on the spatial and temporal steps, and in the limit of infinitely small steps an ultraviolet 'catastrophe' (divergence of the free energy) may occur. Evidently, an 'ultraviolet cut-off', i.e. filtering out the highest frequencies, is required to regularize the unphysical singularity. In the PFC case, a straightforward choice for the cut-off length is the interparticle distance, which is expected to remove the unphysical, small wavelength fluctuations [58, 16, 59, 18]. Perhaps a more elegant way to handle this problem is via renormalizing the model parameters so that with noise one recovers the 'bare' physical properties (see the application of this approach for the Swift-Hohenberg model in [60]). However, further systematic investigations are needed in order to settle this issue. (e) The need to clarify the role of the adiabatic approximation. While DDFT can be derived from more microscopic equations, such as the Smoluchowski equation [54] or the Langevin equations [61] for the individual particles, a major approximation is invoked in the derivation, namely the so-called 'adiabatic approximation'. This approximation assumes that all other observables relax much faster than the one-particle density field [5]. Therefore, the nonequilibrium correlations are replaced by equilibrium ones corresponding to an inhomogeneous reference one-particle density [54]. This enables one to formulate the theory in terms of the time-dependent one-particle density field alone. What is still needed here is a more general theory which provides the next-leading order beyond the adiabatic approximation. This improved theory would not only provide more fundamental insight into the DDFT itself; it would also pave the way to many applications where the simpleDDFT fails. (f) How to apply and exploit DDFT for active matter? The collective behavior of self-propelled particles with internal driving motors is a topic of active research [62, 62]. Given that the particle dynamics can be described in terms of driven Brownian motion, a dynamical density functional theory can be derived in a straightforward manner. In a first application, DDFT was employed to describe aggregation phenomena near system boundaries for driven rod-like colloidal particles [64]. The potential of DDFT for 'active' particles should be exploited more in the future, as it provides a microscopic approach to investigate nonequilibrium effects, such as swarming and jamming. (g) How to construct a PFC model for inhomogeneous liquid crystals? The traditional PFC model [6, 7] describes a two-dimensional one-component solid phase by a single inhomogeneous sinusoidal density field. The PFC approach has been generalized to mixtures by including more than a single density field [11] and to anisotropic particles with a fixed orientation [65]. However, it has never been applied to liquid crystals which are made by particles with intrinsic orientational degrees of freedom. Based on discussion during the CECAM workshop, a link towards the PFC model has been elaborated and the corresponding PFC model for liquid crystals was derived, see article [22] in this special issue. The extended PFC model contains both the translational density and the local orientational degree of ordering as well as a local director field. The model exhibits stable isotropic, nematic, smectic A, columnar, plastic crystalline and orientationally ordered crystalline phases and bears therefore much richer phases than the original PFC. A large-scale numerical exploration of this PFC model still needs to be performed. The derivation exploits the connection between DDFT and PFC, which was highlighted in [66] for spherical particles, and is based on recent generalizations of DDFT to rod-like Brownian particles [67, 64]. (h) How to incorporate hydrodynamic interactions between particles in dense driven systems of colloids? In dense colloidal dispersions, hydrodynamic interactions between the particles play a major role in their collective behavior. While these interactions affect neither structural correlations nor the equilibrium phase behavior, they have a profound effect on the dynamics both in equilibrium and non-equilibrium [68]. Recently, DDFT was extended to include hydrodynamic interactions on the pairwise level of the mobility tensors [69]. This kind of DDFT needs more applications as well as a fundamental development towards higher-order mobility tensors beyond the pairwise level or to a description, which includes lubrication forces between colloidal particles at small interparticle separations. (i) How to systematically construct effective, low-frequency representations from DFT/DDFT? Given an accurate and predictive density functional, which incorporates interaction potentials between the constituent species in a multi-component system, building an effective description would be highly desirable as it would provide an alternative to purely atomistic approaches (e.g., molecular dynamics simulations) and enable the simulation of quantitative, microscopically-informed, continuum systems across diffusive time scales. The first challenge, of course, is the development of such functionals, as already discussed in item (b) above. Once this challenge has been overcome, the next step would be to project out the dynamics of the relevant degrees of freedom from the full DDFT description. Physically, one would expect that the shape of a single peak in the density would relax much faster than, say, the distance between peak centers. Therefore, it should be possible to `slave' the high-frequency modes associated with the peak shapes to the more slowly evolving modes with low spatial frequencies. (j) How to build numerically efficient, quantitative PFC models for a broad spectrum of metallic materials? Viewed as an extension of the traditional phase-field method (see, e.g., [70-74]. for comprehensive reviews), PFC incorporates microscopic physics (crystal symmetry, grain orientation, topological defects) in a phenomenological manner. A practical issue in numerically integrating the dynamic PFC equation is that the grid spacing is constrained to be a fraction of the lattice spacing (typically Δ x ~ a/8), making large-scale simulations challenging in three spatial dimensions. It is thus highly desirable to develop a methodology that would allow one to tune important materials parameters such as crystal symmetry, lattice spacing, elastic constants, surface energies and stresses, dislocation core energy, and dislocation mobility, without sacrificing numerical efficiency. The issue of constructing PFC free energies, which give rise to a given crystal symmetry, has been addressed very recently; see, e.g., [17-19]. Going beyond the question of crystal symmetry, an appealing possibility is to further develop the so-called amplitude equation approach [75-77]., in which the density field is essentially expressed in terms of slowly-varying envelope functions (i.e., amplitudes), modulated by the fundamental spatial periodicity of the density. In fact, it has been demonstrated recently that such an approach provides a truly multi-scale approach to studying phase transformations in solid-liquid systems [78]. The goal is to construct amplitude equations, which accurately incorporate, e.g., surface tension anisotropies for simulations of solid-solid, solid-liquid, and solid-vapor systems. Alternatively, one can work directly with the PFC density field and introduce additional model parameters which can be fitted so that a required set of physical properties is recovered, such as the properties of the solid-liquid interface in pure iron [79]. (k) How to simulate electronic materials with PFC? Ferroelectrics comprise an interesting class of materials, which undergo a structural phase transformation (typically cubic-to-tetragonal) below a Curie temperature and acquire a non-zero electric polarization. It has been suggested that the manipulation of these polarization domains by means of an external field can be exploited in novel non-volatile memory devices [80, 81]. The PFC approach would present an appealing means to study ferroelectrics exhibiting one or more (ferroic) order parameters, provided that the crystal lattice can be coupled to the local order parameter(s) in a physically-based manner. 4. Concluding remarks The workshop 'Classical density functional theory methods in soft and hard matter' has established the first contact between the soft-matter community working with advanced classical density functional techniques and a theoretical materials science community working with engineering materials and armed with a simple but numerically very efficient dynamical density functional technique, the phase-field crystal method. A large number of common problems have been identified, which represent challenges for both communities during the coming years. This has been borne out by the lively discussions and some of the provocative talks. 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Gen. 37 9325 [54] Archer A J and Evans R 2004 J. Chem. Phys. 121 4246 [55] Ramos J A P, Granato E, Achim C V, Ying S C, Elder K R and Ala-Nissila T 2008 Phys. Rev. E 78 031109 [56] Hubert J, Cheng M and Emmerich H 2009 J. Phys.: Condens. Matter 21 464108 [57] Plapp M 2010 Philos. Mag. submitted [58] Pusztai T, Tegze G, Tóth G I, Környei L, Bansel G, Fan Z and Gránásy L 2008 J. Phys.: Condens. Matter 20 404205 [59] Tegze G, Bansel G, Tóth G I, Pusztai T, Fan Z and Gránásy L 2009 J. Comput. Phys. 228 1612 [60] Gross N A, Ignatiev M and Chakraborty B 2000 Phys. Rev. E 62 6116 [61] Marconi V M B and Tarazona P 2000 J. Phys.: Condens. Matter 12 A413 [62] Toner J, Tu Y and Ramaswamy S 2005 Ann. Phys. 318 170 [63] Lauga E and Powers T R 2009 Rep. Prog. Phys. 72 096601 [64] Wensink H H and Löwen H 2008 Phys. Rev. E 78 031409 [65] Prieler R, Hubert J, Li D, Verleye B, Haberkern R and Emmerich H 2009 J. Phys.: Condens. Matter 21 464110 [66] van Teeffelen S, Backofen R, Voigt A and Löwen H 2009 Phys. Rev. E 79 051404 [67] Rex M, Wensink H H and Löwen H 2007 Phys. Rev. E 76 021403 [68] Dhont J K G 1996 An Introduction to Dynamics of Colloids (Amsterdam: Elsevier) [69] Rex M and Löwen H 2008 Phys. Rev. Lett. 101 148302 [70] Elder K R, Grant M, Provatas N and Kosterlitz J M 2001 Phys. Rev. E 64 021604 [71] Chen L Q 2002 Annu. Rev. Mat. Res. 32 113 [72] Boettinger W J, Warren J A, Beckermann C and Karma A 2002 Annu. Rev. Mat. Res. 32 163 [73] Gránásy L, Pusztai T and Warren J A 2004 J. Phys.: Condens. Matter 16 R1205 [74] Singer-Loginova I and Singer H M 2008 Rep. Prog. Phys. 71 106501 [75] Goldenfeld N, Athreya B P and Dantzig J A 2005 Phys. Rev. E 72 020601 [76] Yeon D-H, Huang Z-F, Elder K R and Thornton K 2010 Phil. Mag. 90 237 [77] Elder K R, Huang Z-F and Provatas N 2010 Phys. Rev. E 81 011602 [78] Athreya B P, Goldenfeld N, Dantzig J A, Greenwood M and Provatas N 2007 Phys. Rev. E 76 056706 [79] Jaatinen A, Achim C V, Elder K R and Ala-Nissila T 2009 Phys. Rev. E 80 031602 [80] Chu M-W et al 2004 Nat. Mater. 3 87 [81] Rudiger A and Waser J 2008 J. Alloy Compounds 449 2

A self-consistent density based embedding scheme applied to the adsorption of CO on Pd(111)

NASA Astrophysics Data System (ADS)

Lahav, D.; Klüner, T.

2007-06-01

We derive a variant of a density based embedded cluster approach as an improvement to a recently proposed embedding theory for metallic substrates (Govind et al 1999 J. Chem. Phys. 110 7677; Klüner et al 2001 Phys. Rev. Lett. 86 5954). In this scheme, a local region in space is represented by a small cluster which is treated by accurate quantum chemical methodology. The interaction of the cluster with the infinite solid is taken into account by an effective one-electron embedding operator representing the surrounding region. We propose a self-consistent embedding scheme which resolves intrinsic problems of the former theory, in particular a violation of strict density conservation. The proposed scheme is applied to the well-known benchmark system CO/Pd(111).

0.27 GW Soft X-Ray Pulse Using a Plasma-Based Amplification Chain

NASA Astrophysics Data System (ADS)

Oliva, E.; Fajardo, M.; Velarde, P.; Ros, D.; Sebban, S.; Zeitoun, P.

Seeding plasma-based soft-x-ray lasers (PBSXRL) with high order harmonics (HOH) has been demonstrated in plasmas created from gas targets (Zeitoun et al. in Nature 431:426, 2004 and solid targets (Wang et al. in Nat. Photonics 2:94, 2008), obtaining 1 μJ, 1 ps pulses. Reaching multi-microJoule, hundreds of fs regime is the ultimate goal. Recent papers (Oliva et al. in Opt. Lett. 34(17):2640-2642, 2009; Phys. Rev. E 82(5):056408, 2010) showed that increasing the width (up to 1 mm) of the plasma increases the amplification surface and improves the gain zone properties. Up to 20 μJ could be extracted when seeding but the temporal duration and profile was not studied. Simulations show that the HOH is weakly amplified whereas most of the energy is within a long (several picoseconds) wake induced by the HOH (Al'miev et al. in Phys. Rev. Lett. 99(12):123902, 2007; Kim et al. in Phys. Rev. Lett. 104:053901, 2010). Amplified Spontaneous Emission (ASE) is also present in the output beam. Using the 1D Maxwell-Bloch code DeepOne (Oliva et al. in Phys. Rev. A 84(1):013811, 2011) we will show that fully coherent, wake and ASE-suppressed, 21.6 μJ, 80 fs pulse can be obtained when optimizing at the same time both the seed and the plasma conditions.

A variational approach to multi-phase motion of gas, liquid and solid based on the level set method

NASA Astrophysics Data System (ADS)

Yokoi, Kensuke

2009-07-01

We propose a simple and robust numerical algorithm to deal with multi-phase motion of gas, liquid and solid based on the level set method [S. Osher, J.A. Sethian, Front propagating with curvature-dependent speed: Algorithms based on Hamilton-Jacobi formulation, J. Comput. Phys. 79 (1988) 12; M. Sussman, P. Smereka, S. Osher, A level set approach for capturing solution to incompressible two-phase flow, J. Comput. Phys. 114 (1994) 146; J.A. Sethian, Level Set Methods and Fast Marching Methods, Cambridge University Press, 1999; S. Osher, R. Fedkiw, Level Set Methods and Dynamics Implicit Surface, Applied Mathematical Sciences, vol. 153, Springer, 2003]. In Eulerian framework, to simulate interaction between a moving solid object and an interfacial flow, we need to define at least two functions (level set functions) to distinguish three materials. In such simulations, in general two functions overlap and/or disagree due to numerical errors such as numerical diffusion. In this paper, we resolved the problem using the idea of the active contour model [M. Kass, A. Witkin, D. Terzopoulos, Snakes: active contour models, International Journal of Computer Vision 1 (1988) 321; V. Caselles, R. Kimmel, G. Sapiro, Geodesic active contours, International Journal of Computer Vision 22 (1997) 61; G. Sapiro, Geometric Partial Differential Equations and Image Analysis, Cambridge University Press, 2001; R. Kimmel, Numerical Geometry of Images: Theory, Algorithms, and Applications, Springer-Verlag, 2003] introduced in the field of image processing.

Electron spin resonance study of atomic hydrogen stabilized in solid neon below 1 K

NASA Astrophysics Data System (ADS)

Sheludiakov, S.; Ahokas, J.; Järvinen, J.; Lehtonen, L.; Vasiliev, S.; Dmitriev, Yu. A.; Lee, D. M.; Khmelenko, V. V.

2018-03-01

We report on an electron spin resonance study of atomic hydrogen stabilized in solid Ne matrices carried out at a high field of 4.6 T and temperatures below 1 K . The films of Ne, slowly deposited on the substrate at a temperature of ˜1 K , exhibited a high degree of porosity. We found that H atoms may be trapped in two different substitutional positions in the Ne lattice as well as inside clusters of pure molecular H2 in the pores of the Ne film. The latter type of atoms was very unstable against recombination at temperatures 0.3-0.6 K . Based on the observed nearly instant decays after rapid small increases of temperature, we evaluate the lower limit of the recombination rate constant kr≥5 ×10-20cm3s-1 at 0.6 K , five orders of magnitude larger than that previously found in the thin films of pure H2 at the same temperature. Such behavior assumes a very high mobility of atoms and may indicate a solid-to-liquid transition for H2 clusters of certain sizes, similar to that observed in experiments with H2 clusters inside helium droplets [Phys. Rev. Lett. 101, 205301 (2008), 10.1103/PhysRevLett.101.205301]. We found that the efficiency of dissociation of H2 in neon films is enhanced by two orders of magnitude compared to that in pure H2 as a result of the strong action of secondary electrons.

Numerical determination of the interfacial energy and nucleation barrier of curved solid-liquid interfaces in binary systems

NASA Astrophysics Data System (ADS)

Kundin, Julia; Choudhary, Muhammad Ajmal

2016-07-01

The phase-field crystal (PFC) technique is a widely used approach for modeling crystal growth phenomena with atomistic resolution on mesoscopic time scales. We use a two-dimensional PFC model for a binary system based on the work of Elder et al. [Phys. Rev. B 75, 064107 (2007), 10.1103/PhysRevB.75.064107] to study the effect of the curved, diffuse solid-liquid interface on the interfacial energy as well as the nucleation barrier. The calculation of the interfacial energy and the nucleation barrier certainly depends on the proper definition of the solid-liquid dividing surface and the corresponding nucleus size. We define the position of the sharp interface at which the interfacial energy is to be evaluated by using the concept of equimolar dividing surface (re) and the minimization of the interfacial energy (rs). The comparison of the results based on both radii shows that the difference re-rs is always positive and has a limit for large cluster sizes which is comparable to the Tolman length. Furthermore, we found the real nucleation barrier for small cluster sizes, which is defined as a function of the radius rs, and compared it with the classical nucleation theory. The simulation results also show that the extracted interfacial energy as function of both radii is independent of system size, and this dependence can be reasonably described by the nonclassical Tolman formula with a positive Tolman length.

Selection rules for harmonic generation in solids

NASA Astrophysics Data System (ADS)

Moiseyev, Nimrod

2015-05-01

High-order harmonic generation (HHG) in a bulk crystal was first observed in 2011 [S. Ghimire, A. D. DiChiara, E. Sistrunk, P. Agostini, L. F. DiMauro, and D. A. Reis, Nat. Phys. 7, 138 (2011), 10.1038/nphys1847]. Only odd-order harmonics were observed as expected on the basis of the selection rules in solids, which were derived when only the interband currents were taken into consideration. Here we study HHG in solids when the intraband currents are taken into consideration as well. We show that the dynamical selection rules are broken in solids and the possibility of generation of even-order harmonics cannot be excluded on the basis of the dynamical symmetry analysis. However, a simple analysis of the expression we obtained for the amplitude of the emitted high-order harmonics shows, without the need to carry out numerical calculations, that the even-order harmonics are suppressed due to the localization of the field-free one-electron density probability on the atoms in the solids.

Non-uniqueness of admissible weak solutions to the Riemann problem for isentropic Euler equations

NASA Astrophysics Data System (ADS)

Chiodaroli, Elisabetta; Kreml, Ondřej

2018-04-01

We study the Riemann problem for multidimensional compressible isentropic Euler equations. Using the framework developed in Chiodaroli et al (2015 Commun. Pure Appl. Math. 68 1157–90), and based on the techniques of De Lellis and Székelyhidi (2010 Arch. Ration. Mech. Anal. 195 225–60), we extend the results of Chiodaroli and Kreml (2014 Arch. Ration. Mech. Anal. 214 1019–49) and prove that it is possible to characterize a set of Riemann data, giving rise to a self-similar solution consisting of one admissible shock and one rarefaction wave, for which the problem also admits infinitely many admissible weak solutions.

Spectral evolution and extreme value analysis of non-linear numerical simulations of narrow band random surface gravity waves.

NASA Astrophysics Data System (ADS)

Socquet-Juglard, H.; Dysthe, K. B.; Trulsen, K.; Liu, J.; Krogstad, H. E.

2003-04-01

Numerical simulations of a narrow band gaussian spectrum of random surface gravity waves have been carried out in two and three spatial dimensions [7]. Different types of non-linear Schr&{uml;o}dinger equations, [1] and [4], have been used in these simulations. Simulations have now been carried with a JONSWAP spectrum associated with a spreading function of the type cosine-squared [5]. The evolution of the spectrum, skewness, kurtosis, ... will be presented. In addition, some results about stochastic properties of the surface will be shown. Based on the approach found in [2], [3] and [6], the results are presented in terms of deviations from linear Gaussian theory and the standard second order small slope perturbation theory. begin{thebibliography}{9} bibitem{kk96} Trulsen, K. &Dysthe, K. B. (1996). A modified nonlinear Schr&{uml;o}dinger equation for broader bandwidth gravity waves on deep water. Wave Motion, 24, pp. 281-289. bibitem{BK2000} Krogstad, H.E. and S.F. Barstow (2000). A uniform approach to extreme value analysis of ocean waves, Proc. ISOPE'2000, Seattle, USA, 3, pp. 103-108. bibitem{PRK} Prevosto, M., H. E. Krogstad and A. Robin (2000). Probability distributions for maximum wave and crest heights, Coast. Eng., 40, 329-360. bibitem{ketal} Trulsen, K., Kliakhandler, I., Dysthe, K. B. &Velarde, M. G. (2000) On weakly nonlinear modulation of waves on deep water, Phys. Fluids, 12, pp. L25-L28. bibitem{onorato} Onorato, M., Osborne, A.R. and Serio, M. (2002) Extreme wave events in directional, random oceanic sea states, Phys. Fluids, 14, pp. 2432-2437. bibitem{BK2002} Krogstad, H.E. and S.F. Barstow (2002). Analysis and Applications of Second Order Models for the Maximum Crest height, % Proc. 21nd Int. Conf. Offshore Mechanics and Arctic Engineering, Oslo. Paper no. OMAE2002-28479. bibitem{JFMP} Dysthe, K. B., Trulsen, K., Krogstad, H. E. and Socquet-Juglard, H. (2002, in press) Evolution of a narrow band spectrum of random surface gravity waves, J. Fluid Mech.

2D instabilities of surface gravity waves on a linear shear current

NASA Astrophysics Data System (ADS)

Francius, Marc; Kharif, Christian

2016-04-01

Periodic 2D surface water waves propagating steadily on a rotational current have been studied by many authors (see [1] and references therein). Although the recent important theoretical developments have confirmed that periodic waves can exist over flows with arbitrary vorticity, their stability and their nonlinear evolution have not been much studied extensively so far. In fact, even in the rather simple case of uniform vorticity (linear shear), few papers have been published on the effect of a vertical shear current on the side-band instability of a uniform wave train over finite depth. In most of these studies [2-5], asymptotic expansions and multiple scales method have been used to obtain envelope evolution equations, which allow eventually to formulate a condition of (linear) instability to long modulational perturbations. It is noted here that this instability is often referred in the literature as the Benjamin-Feir or modulational instability. In the present study, we consider the linear stability of finite amplitude two-dimensional, periodic water waves propagating steadily on the free surface of a fluid with constant vorticity and finite depth. First, the steadily propagating surface waves are computed with steepness up to very close to the highest, using a Fourier series expansions and a collocation method, which constitutes a simple extension of Fenton's method [6] to the cases with a linear shear current. Then, the linear stability of these permanent waves to infinitesimal 2D perturbations is developed from the fully nonlinear equations in the framework of normal modes analysis. This linear stability analysis is an extension of [7] to the case of waves in the presence of a linear shear current and permits the determination of the dominant instability as a function of depth and vorticity for a given steepness. The numerical results are used to assess the accuracy of the vor-NLS equation derived in [5] for the characteristics of modulational instabilities due to resonant four-wave interactions, as well as to study the influence of vorticity and nonlinearity on the characteristics of linear instabilities due to resonant five-wave and six-wave interactions. Depending on the dimensionless depth, superharmonic instabilities due to five-wave interactions can become dominant with increasing positive vorticiy. Acknowledgments: This work was supported by the Direction Générale de l'Armement and funded by the ANR project n°. ANR-13-ASTR-0007. References [1] A. Constantin, Two-dimensionality of gravity water flows of constant non-zero vorticity beneath a surface wave train, Eur. J. Mech. B/Fluids, 2011, 30, 12-16. [2] R. S. Johnson, On the modulation of water waves on shear flows, Proc. Royal Soc. Lond. A., 1976, 347, 537-546. [3] M. Oikawa, K. Chow, D. J. Benney, The propagation of nonlinear wave packets in a shear flow with a free surface, Stud. Appl. Math., 1987, 76, 69-92. [4] A. I Baumstein, Modulation of gravity waves with shear in water, Stud. Appl. Math., 1998, 100, 365-90. [5] R. Thomas, C. Kharif, M. Manna, A nonlinear Schrödinger equation for water waves on finite depth with constant vorticity, Phys. Fluids, 2012, 24, 127102. [6] M. M Rienecker, J. D Fenton, A Fourier approximation method for steady water waves , J. Fluid Mech., 1981, 104, 119-137 [7] M. Francius, C. Kharif, Three-dimensional instabilities of periodic gravity waves in shallow water, J. Fluid Mech., 2006, 561, 417-437

Boron Nitride Substrates for High Mobility Chemical Vapor Deposited Graphene

DTIC Science & Technology

2011-06-13

Hone, H. L. Stormer , and P. Kim, Phys. Rev. Lett. 101, 096802 2008. 5K. I. Bolotin, K. J. Sikes, Z. Jiang, M. Klima, G. Fudenberg, J. Hone, P. Kim, and...H. L. Stormer , Solid State Commun. 146, 351 2008. 6S. Berciaud, S. Ryu, L. E. Brus, and T. F. Heinz, Nano Lett. 9, 346 2009. 7S. Bae, H. Kim, Y

Center of Excellence for Battlefield Capability Enhancements: Envronmentally Stable Flexible Displays

DTIC Science & Technology

2012-01-18

Lett. 60, 1453 1992. 3D. Look, Thin Solid Films 231, 61 1993. 4R. E. Pritchard, S. A. McQuaid, L. Hart, R. C. Newman , J. Mtikinen, H. J. von...Appl. Phys. 103, 123528 2008. 11F. W. Smith, A. R. Calawa, C. Chen, M. J. Manfra, and L. J. Mahoney , IEEE Electron Device Lett. 9, 77 1988. 12D. B

Comment on 'Electron acceleration by an intense short pulse laser in a static magnetic field in vacuum'

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

Huang Shihua; Wu Fengmin

2006-12-15

K. P. Singh [Phys. Rev. E 69, 056410 (2004)] put forward a scheme of vacuum laser acceleration in a static magnetic field. We point out that one of the assumptions used in their model does not stand on a solid physical ground and that it seriously influences electrons to obtain net energy gains from the laser field.

On the Heat Transfer through a Solid Slab Heated Uniformly and Continuously on One of Its Surfaces

ERIC Educational Resources Information Center

Marin, E.; Lara-Bernal, A.; Calderon, A.; Delgado-Vasallo, O.

2011-01-01

Some peculiarities of the heat transfer through a sample that is heated by the superficial absorption of light energy under continuous uniform illumination are discussed. We explain, using a different approach to that presented in a recent article published in this journal (Salazar "et al" 2010 "Eur. J. Phys." 31 1053-9), that the front surface of…

X-ray computed microtomography of sea ice - comment on "A review of air-ice chemical and physical interactions (AICI): liquids, quasi-liquids, and solids in snow" by Bartels-Rausch et al. (2014)

NASA Astrophysics Data System (ADS)

Obbard, R. W.

2015-07-01

This comment addresses a statement made in "A review of air-ice chemical and physical interactions (AICI): liquids, quasi-liquids, and solids in snow" by Bartels-Rausch et al. (Atmos. Chem. Phys., 14, 1587-1633, doi:10.5194/acp-14-1587-2014, 2014). Here we rebut the assertion that X-ray computed microtomography of sea ice fails to reveal liquid brine inclusions by discussing the phases present at the analysis temperature.

WKB calculation of multiple spin exchange in monolayer solid 3He

NASA Astrophysics Data System (ADS)

Ashizawa, Hisayuki; Hirashima, D. S.

2000-10-01

An insight is given into the multiple spin exchange in the registered 3×3 phase of solid 3He adsorbed on graphite with a WKB calculation taking account of the corrugation of the substrate potential. The corrugation is essential for this phase to be realized, and is found to suppress the exchange processes of many (>=4) particles to make only the two- and the three-spin exchanges relevant. When the magnitude of the corrugation is modest, the exchange can be ferromagnetic, in agreement with the experiment by Ikegami et al. [Phys. Rev. Lett. 81, 2478 (1998)]. Validity and limitation of the WKB approximation are also discussed.

Dynamics of δ-dopant redistribution during heterostructure growth

NASA Astrophysics Data System (ADS)

Pankratov, E. L.

2007-06-01

It has recently been shown that growth of a multilayer structure with one or more delta-layers at high temperature leads to spreading and asymmetrization of the dopant distribution [see, for example, E.F.J. Schubert, Vac. Sci. Technol. A. 8, 2980 (1990), A.M. Nazmul, S. Sugahara, M. Tanaka, J. Crystal Growth 251, 303 (2003); R.C. Newman, M.J. Ashwin, M.R. Fahy, L. Hart, S.N. Holmes, C. Roberts, X. Zhang, Phys. Rev. B 54, 8769 (1996); E.F. Schubert, J.M. Kuo, R.F. Kopf, H.S. Luftman, L.C. Hopkins, N.J. Sauer, J. Appl. Phys. 67, 1969 (1990); P.M. Zagwijn, J.F. van der Veen, E. Vlieg, A.H. Reader, D.J. Gravesteijn, J. Appl. Phys. 78, 4933 (1995); W.S. Hobson, S.J. Pearton, E.F. Schubert, G. Cabaniss, Appl. Phys. Lett. 55, 1546 (1989); Delta Doping of Semiconductors, edited by E.F. Schubert (Cambridge University Press, Cambridge, 1996); Yu.N. Drozdov, N.B. Baidus', B.N. Zvonkov, M.N. Drozdov, O.I. Khrykin, V.I. Shashkin, Semiconductors 37, 194 (2003); E. Skuras, A.R. Long, B. Vogele, M.C. Holland, C.R. Stanley, E.A. Johnson, M. van der Burgt, H. Yaguchi, J. Singleton, Phys. Rev. B 59, 10712 (1999); G. Li, C. Jagadish, Solid-State Electronics 41, 1207 (1997)]. In this work analytical and numerical analysis of dopant dynamics in a delta-doped area of a multilayer structure has been accomplished using Fick's second law. Some reasons for asymmetrization of a delta-dopant distribution are illustrated. The spreading of a delta-layer has been estimated using example materials of a multilayer structure, a delta-layer and an overlayer.

Modeling and simulation of axisymmetric stagnation flames

NASA Astrophysics Data System (ADS)

Sone, Kazuo

Laminar flame modeling is an important element in turbulent combustion research. The accuracy of a turbulent combustion model is highly dependent upon our understanding of laminar flames and their behavior in many situations. How much we understand combustion can only be measured by how well the model describes and predicts combustion phenomena. One of the most commonly used methane combustion models is GRI-Mech 3.0. However, how well the model describes the reacting flow phenomena is still uncertain even after many attempts to validate the model or quantify uncertainties. In the present study, the behavior of laminar flames under different aerodynamic and thermodynamic conditions is studied numerically in a stagnation-flow configuration. In order to make such a numerical study possible, the spectral element method is reformulated to accommodate the large density variations in methane reacting flows. In addition, a new axisymmetric basis function set for the spectral element method that satisfies the correct behavior near the axis is developed, and efficient integration techniques are developed to accurately model axisymmetric reacting flow within a reasonable amount of computational time. The numerical method is implemented using an object-oriented programming technique, and the resulting computer program is verified with several different verification methods. The present study then shows variances with the commonly used GRI-Mech 3.0 chemical kinetics model through a direct simulation of laboratory flames that allows direct comparison to experimental data. It is shown that the methane combustion model based on GRI-Mech 3.0 works well for methane-air mixtures near stoichiometry. However, GRI-Mech 3.0 leads to an overprediction of laminar flame speed for lean mixtures and an underprediction for rich mixtures. This result is slightly different from conclusion drawn in previous work, in which experimental data are compared with a one-dimensional numerical solutions. Detailed analysis reveals that flame speed is sensitive to even slight flame front curvature as well as its finite extension in the radial direction. Neither of these can be incorporated in one-dimensional flow modeli

Simple calculation of ab initio melting curves: Application to aluminum.

PubMed

Robert, Grégory; Legrand, Philippe; Arnault, Philippe; Desbiens, Nicolas; Clérouin, Jean

2015-03-01

We present a simple, fast, and promising method to compute the melting curves of materials with ab initio molecular dynamics. It is based on the two-phase thermodynamic model of Lin et al [J. Chem. Phys. 119, 11792 (2003)] and its improved version given by Desjarlais [Phys. Rev. E 88, 062145 (2013)]. In this model, the velocity autocorrelation function is utilized to calculate the contribution of the nuclei motion to the entropy of the solid and liquid phases. It is then possible to find the thermodynamic conditions of equal Gibbs free energy between these phases, defining the melting curve. The first benchmark on the face-centered cubic melting curve of aluminum from 0 to 300 GPa demonstrates how to obtain an accuracy of 5%-10%, comparable to the most sophisticated methods, for a much lower computational cost.

Measurement of high-pressure shock waves in cryogenic deuterium-tritium ice layered capsule implosions on NIF.

PubMed

Robey, H F; Moody, J D; Celliers, P M; Ross, J S; Ralph, J; Le Pape, S; Berzak Hopkins, L; Parham, T; Sater, J; Mapoles, E R; Holunga, D M; Walters, C F; Haid, B J; Kozioziemski, B J; Dylla-Spears, R J; Krauter, K G; Frieders, G; Ross, G; Bowers, M W; Strozzi, D J; Yoxall, B E; Hamza, A V; Dzenitis, B; Bhandarkar, S D; Young, B; Van Wonterghem, B M; Atherton, L J; Landen, O L; Edwards, M J; Boehly, T R

2013-08-09

The first measurements of multiple, high-pressure shock waves in cryogenic deuterium-tritium (DT) ice layered capsule implosions on the National Ignition Facility have been performed. The strength and relative timing of these shocks must be adjusted to very high precision in order to keep the DT fuel entropy low and compressibility high. All previous measurements of shock timing in inertial confinement fusion implosions [T. R. Boehly et al., Phys. Rev. Lett. 106, 195005 (2011), H. F. Robey et al., Phys. Rev. Lett. 108, 215004 (2012)] have been performed in surrogate targets, where the solid DT ice shell and central DT gas regions were replaced with a continuous liquid deuterium (D2) fill. This report presents the first experimental validation of the assumptions underlying this surrogate technique.

Communication: Unraveling the 4He droplet-mediated soft-landing from ab initio-assisted and time-resolved density functional simulations: Au@4He300/TiO2(110)

NASA Astrophysics Data System (ADS)

de Lara-Castells, María Pilar; Aguirre, Néstor F.; Stoll, Hermann; Mitrushchenkov, Alexander O.; Mateo, David; Pi, Martí

2015-04-01

An ab-initio-based methodological scheme for He-surface interactions and zero-temperature time-dependent density functional theory for superfluid 4He droplets motion are combined to follow the short-time collision dynamics of the Au@4He300 system with the TiO2(110) surface. This composite approach demonstrates the 4He droplet-assisted sticking of the metal species to the surface at low landing energy (below 0.15 eV/atom), thus providing the first theoretical evidence of the experimentally observed 4He droplet-mediated soft-landing deposition of metal nanoparticles on solid surfaces [Mozhayskiy et al., J. Chem. Phys. 127, 094701 (2007) and Loginov et al., J. Phys. Chem. A 115, 7199 (2011)].

Ionic and electronic transport properties in dense plasmas by orbital-free density functional theory

DOE PAGES

Sjostrom, Travis; Daligault, Jérôme

2015-12-09

We validate the application of our recent orbital-free density functional theory (DFT) approach, [Phys. Rev. Lett. 113, 155006 (2014)], for the calculation of ionic and electronic transport properties of dense plasmas. To this end, we calculate the self-diffusion coefficient, the viscosity coefficient, the electrical and thermal conductivities, and the reflectivity coefficient of hydrogen and aluminum plasmas. Very good agreement is found with orbital-based Kohn-Sham DFT calculations at lower temperatures. Because the computational costs of the method do not increase with temperature, we can produce results at much higher temperatures than is accessible by the Kohn-Sham method. Our results for warmmore » dense aluminum at solid density are inconsistent with the recent experimental results reported by Sperling et al. [Phys. Rev. Lett. 115, 115001 (2015)].« less

Energy transfer in compressible magnetohydrodynamic turbulence for isothermal self-gravitating fluids

NASA Astrophysics Data System (ADS)

Banerjee, Supratik; Kritsuk, Alexei G.

2018-02-01

Three-dimensional, compressible, magnetohydrodynamic turbulence of an isothermal, self-gravitating fluid is analyzed using two-point statistics in the asymptotic limit of large Reynolds numbers (both kinetic and magnetic). Following an alternative formulation proposed by Banerjee and Galtier [Phys. Rev. E 93, 033120 (2016), 10.1103/PhysRevE.93.033120; J. Phys. A: Math. Theor. 50, 015501 (2017), 10.1088/1751-8113/50/1/015501], an exact relation has been derived for the total energy transfer. This approach results in a simpler relation expressed entirely in terms of mixed second-order structure functions. The kinetic, thermodynamic, magnetic, and gravitational contributions to the energy transfer rate can be easily separated in the present form. By construction, the new formalism includes such additional effects as global rotation, the Hall term in the induction equation, etc. The analysis shows that solid-body rotation cannot alter the energy flux rate of compressible turbulence. However, the contribution of a uniform background magnetic field to the flux is shown to be nontrivial unlike in the incompressible case. Finally, the compressible, turbulent energy flux rate does not vanish completely due to simple alignments, which leads to a zero turbulent energy flux rate in the incompressible case.

Energy transfer in compressible magnetohydrodynamic turbulence for isothermal self-gravitating fluids.

PubMed

Banerjee, Supratik; Kritsuk, Alexei G

2018-02-01

Three-dimensional, compressible, magnetohydrodynamic turbulence of an isothermal, self-gravitating fluid is analyzed using two-point statistics in the asymptotic limit of large Reynolds numbers (both kinetic and magnetic). Following an alternative formulation proposed by Banerjee and Galtier [Phys. Rev. E 93, 033120 (2016)2470-004510.1103/PhysRevE.93.033120; J. Phys. A: Math. Theor. 50, 015501 (2017)1751-811310.1088/1751-8113/50/1/015501], an exact relation has been derived for the total energy transfer. This approach results in a simpler relation expressed entirely in terms of mixed second-order structure functions. The kinetic, thermodynamic, magnetic, and gravitational contributions to the energy transfer rate can be easily separated in the present form. By construction, the new formalism includes such additional effects as global rotation, the Hall term in the induction equation, etc. The analysis shows that solid-body rotation cannot alter the energy flux rate of compressible turbulence. However, the contribution of a uniform background magnetic field to the flux is shown to be nontrivial unlike in the incompressible case. Finally, the compressible, turbulent energy flux rate does not vanish completely due to simple alignments, which leads to a zero turbulent energy flux rate in the incompressible case.

Solid phase stability of molybdenum under compression: Sound velocity measurements and first-principles calculations

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

Zhang, Xiulu; Laboratory for Extreme Conditions Matter Properties, Southwest University of Science and Technology, 621010 Mianyang, Sichuan; Liu, Zhongli

2015-02-07

The high-pressure solid phase stability of molybdenum (Mo) has been the center of a long-standing controversy on its high-pressure melting. In this work, experimental and theoretical researches have been conducted to check its solid phase stability under compression. First, we performed sound velocity measurements from 38 to 160 GPa using the two-stage light gas gun and explosive loading in backward- and forward-impact geometries, along with the high-precision velocity interferometry. From the sound velocities, we found no solid-solid phase transition in Mo before shock melting, which does not support the previous solid-solid phase transition conclusion inferred from the sharp drops of themore » longitudinal sound velocity [Hixson et al., Phys. Rev. Lett. 62, 637 (1989)]. Then, we searched its structures globally using the multi-algorithm collaborative crystal structure prediction technique combined with the density functional theory. By comparing the enthalpies of body centered cubic structure with those of the metastable structures, we found that bcc is the most stable structure in the range of 0–300 GPa. The present theoretical results together with previous ones greatly support our experimental conclusions.« less

Recursive computation of mutual potential between two polyhedra

NASA Astrophysics Data System (ADS)

Hirabayashi, Masatoshi; Scheeres, Daniel J.

2013-11-01

Recursive computation of mutual potential, force, and torque between two polyhedra is studied. Based on formulations by Werner and Scheeres (Celest Mech Dyn Astron 91:337-349, 2005) and Fahnestock and Scheeres (Celest Mech Dyn Astron 96:317-339, 2006) who applied the Legendre polynomial expansion to gravity interactions and expressed each order term by a shape-dependent part and a shape-independent part, this paper generalizes the computation of each order term, giving recursive relations of the shape-dependent part. To consider the potential, force, and torque, we introduce three tensors. This method is applicable to any multi-body systems. Finally, we implement this recursive computation to simulate the dynamics of a two rigid-body system that consists of two equal-sized parallelepipeds.

Age structure of moose (Alces alces) killed by gray wolves (Canis lupus) in northeastern Minnesota, 1967-2011

USGS Publications Warehouse

Mech, L. David; Nelson, Michael E.

2013-01-01

The age structure of Moose (Alces alces) killed by gray Wolves (Canis lupus) is available from only two national parks in the united States where hunting by people is not allowed and from three areas in Alaska where Moose are hunted (Mech 1966; Peterson et al.1984; Ballard et al. 1987; Mech et al. 1998). The samples of Moose killed by gray Wolves from each hunted area are relatively small (47–117), given that Moose live to 20 or more years (Passmore et al. 1955). This article adds age data from another 77 Moose killed by gray Wolves from a fourth (lightly) human-hunted area and assesses the age structure of all the samples.

IR Window Studies

DTIC Science & Technology

1975-09-30

significantly greater, ami leads to appre- ciable temperature gradients within the acoustic penetration depth. As an example the absorption model shown in...Watervllle, N.H. 1975). 2. J. H. Parks, D. A. Rockwell, T. S. Colbert , K. M. Lakln, and D. Mlh, Appl. Phys. Lett. 25, 537 (1974). ~ 3. D. A...Rockwell, T. S. Colbert , and J. H. Parks, in Proceedings of the International Conference on Optical Properties of Highly Transparent Solids, edited

Molecular Simulations of Dynamic Processes of Solid Explosives

DTIC Science & Technology

2004-12-01

compression. Therefore, we analyzed the dynamics of the energetic crystals RDX , HMX , HNIW and PETN under hydrostatic compression conditions using...for the RDX , HMX and HNIW crystals were found in good agreement with experimental values over the entire range of pressures investigated...Theoretical studies of the hydrostatic compression of RDX , HMX , HNIW, and PETN crystals, J. Phys. Chem. B 103, 6783. scu, D. C.; Rice, B. M. and

Solid State Research.

DTIC Science & Technology

1996-08-01

Failure of Superconducting Microwave Filters: Investigation by Means of Thermal Imaging G. Hampel* P . Kolodner* P . L. Gammel* P . A. Polakos* E...deObaldia* P . M. Mankiewich* A. Anderson R. Slattery D. Zhang* G. C. Liang* C. F. Shih* Appl. Phys. Lett. 69, 571 (1996) Reflective Linearized...Digest Series, Vol. 6 (Optical Society of America, Washington, D.C., 1996), p . 626 Effects of Low-Temperature-Grown GaAs and AlGaAs on the Current

Suppression of tunneling two-level systems in ultrastable glasses of indomethacin.

PubMed

Pérez-Castañeda, Tomás; Rodríguez-Tinoco, Cristian; Rodríguez-Viejo, Javier; Ramos, Miguel A

2014-08-05

Glasses and other noncrystalline solids exhibit thermal and acoustic properties at low temperatures anomalously different from those found in crystalline solids, and with a remarkable degree of universality. Below a few kelvin, these universal properties have been successfully interpreted using the tunneling model, which has enjoyed (almost) unanimous recognition for decades. Here we present low-temperature specific-heat measurements of ultrastable glasses of indomethacin that clearly show the disappearance of the ubiquitous linear contribution traditionally ascribed to the existence of tunneling two-level systems (TLS). When the ultrastable thin-film sample is thermally converted into a conventional glass, the material recovers a typical amount of TLS. This remarkable suppression of the TLS found in ultrastable glasses of indomethacin is argued to be due to their particular anisotropic and layered character, which strongly influences the dynamical network and may hinder isotropic interactions among low-energy defects, rather than to the thermodynamic stabilization itself. This explanation may lend support to the criticisms by Leggett and others [Yu CC, Leggett AJ (1988) Comments Condens Matter Phys 14(4):231-251; Leggett AJ, Vural DC (2013) J Phys Chem B 117(42):12966-12971] to the standard tunneling model, although more experiments in different kinds of ultrastable glasses are needed to ascertain this hypothesis.

Organizing principles for dense packings of nonspherical hard particles: Not all shapes are created equal

NASA Astrophysics Data System (ADS)

Torquato, Salvatore; Jiao, Yang

2012-07-01

We have recently devised organizing principles to obtain maximally dense packings of the Platonic and Archimedean solids and certain smoothly shaped convex nonspherical particles [Torquato and Jiao, Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.81.041310 81, 041310 (2010)]. Here we generalize them in order to guide one to ascertain the densest packings of other convex nonspherical particles as well as concave shapes. Our generalized organizing principles are explicitly stated as four distinct propositions. All of our organizing principles are applied to and tested against the most comprehensive set of both convex and concave particle shapes examined to date, including Catalan solids, prisms, antiprisms, cylinders, dimers of spheres, and various concave polyhedra. We demonstrate that all of the densest known packings associated with this wide spectrum of nonspherical particles are consistent with our propositions. Among other applications, our general organizing principles enable us to construct analytically the densest known packings of certain convex nonspherical particles, including spherocylinders, “lens-shaped” particles, square pyramids, and rhombic pyramids. Moreover, we show how to apply these principles to infer the high-density equilibrium crystalline phases of hard convex and concave particles. We also discuss the unique packing attributes of maximally random jammed packings of nonspherical particles.

Immotile Active Matter: Activity from Death and Reproduction

NASA Astrophysics Data System (ADS)

Kalziqi, Arben; Yanni, David; Thomas, Jacob; Ng, Siu Lung; Vivek, Skanda; Hammer, Brian K.; Yunker, Peter J.

2018-01-01

Unlike equilibrium atomic solids, biofilms—soft solids composed of bacterial cells—do not experience significant thermal fluctuations at the constituent level. However, living cells stochastically reproduce and die, provoking a mechanical response. We investigate the mechanical consequences of cellular death and reproduction by measuring surface-height fluctuations of biofilms containing two mutually antagonistic strains of Vibrio cholerae that kill one another on contact via the type VI secretion system. While studies of active matter typically focus on activity via constituent mobility, here, activity is mediated by reproduction and death events in otherwise immobilized cells. Biofilm surface topography is measured in the nearly homeostatic limit via white light interferometry. Although biofilms are far from equilibrium systems, measured surface-height fluctuation spectra resemble the spectra of thermal permeable membranes but with an activity-mediated effective temperature, as predicted by Risler, Peilloux, and Prost [Phys. Rev. Lett. 115, 258104 (2015), 10.1103/PhysRevLett.115.258104]. By comparing the activity of killer strains of V. cholerae with that of genetically modified strains that cannot kill each other and validating with individual-based simulations, we demonstrate that extracted effective temperatures increase with the amount of death and reproduction and that death and reproduction can fluidize biofilms. Together, these observations demonstrate the unique physical consequences of activity mediated by death and reproduction events.

Immotile Active Matter: Activity from Death and Reproduction.

PubMed

Kalziqi, Arben; Yanni, David; Thomas, Jacob; Ng, Siu Lung; Vivek, Skanda; Hammer, Brian K; Yunker, Peter J

2018-01-05

Unlike equilibrium atomic solids, biofilms-soft solids composed of bacterial cells-do not experience significant thermal fluctuations at the constituent level. However, living cells stochastically reproduce and die, provoking a mechanical response. We investigate the mechanical consequences of cellular death and reproduction by measuring surface-height fluctuations of biofilms containing two mutually antagonistic strains of Vibrio cholerae that kill one another on contact via the type VI secretion system. While studies of active matter typically focus on activity via constituent mobility, here, activity is mediated by reproduction and death events in otherwise immobilized cells. Biofilm surface topography is measured in the nearly homeostatic limit via white light interferometry. Although biofilms are far from equilibrium systems, measured surface-height fluctuation spectra resemble the spectra of thermal permeable membranes but with an activity-mediated effective temperature, as predicted by Risler, Peilloux, and Prost [Phys. Rev. Lett. 115, 258104 (2015)PRLTAO0031-900710.1103/PhysRevLett.115.258104]. By comparing the activity of killer strains of V. cholerae with that of genetically modified strains that cannot kill each other and validating with individual-based simulations, we demonstrate that extracted effective temperatures increase with the amount of death and reproduction and that death and reproduction can fluidize biofilms. Together, these observations demonstrate the unique physical consequences of activity mediated by death and reproduction events.

The Nobel Prize in Medicine for Magnetic Resonance Imaging

NASA Astrophysics Data System (ADS)

Fry, Charles G.

2004-07-01

A review is given of the crucial work performed by Paul C. Lauterbur and Peter Mansfield that lead to their being awarded the Nobel Prize in Medicine in 2003. Lauterbur first expounded the idea of mapping spatial information from spectral data in nuclear magnetic resonance (NMR) through the application of magnetic field gradients (P. C. Lauterbur, Nature 1973 , 242, 190-191). One year later Mansfield and co-workers introduced the idea of selective excitation to NMR imaging (A. N. Garroway, P. K. Grannell, and P. Mansfield. J. Phys. C: Solid State Physics 1974 , 7, L457-L462). A major step in making the technique useful for clinical imaging came with Mansfield's publication of the method known as echo planar imaging (P. Mansfield, J. Phys. C: Solid State Physics 1977, 10 (3) , L55-L58). Lauterbur's and Mansfield's work captured the essence of scientific discovery, collaboration, and concerted effort to overcome significant technical issues, and were key to the development of the technique of magnetic resonance imaging (MRI). Examples of how MRI technology can be extended to chemical research are given, and limitations of the technique in this regard are discussed. Discussion of how to use commonly available NMR spectrometers for chemical imaging is also provided.

Nonlinear waves in solids with slow dynamics: an internal-variable model

PubMed Central

Berjamin, H.; Favrie, N.; Chiavassa, G.

2017-01-01

In heterogeneous solids such as rocks and concrete, the speed of sound diminishes with the strain amplitude of a dynamic loading (softening). This decrease, known as ‘slow dynamics’, occurs at time scales larger than the period of the forcing. Also, hysteresis is observed in the steady-state response. The phenomenological model by Vakhnenko et al. (2004 Phys. Rev. E 70, 015602. (doi:10.1103/PhysRevE.70.015602)) is based on a variable that describes the softening of the material. However, this model is one dimensional and it is not thermodynamically admissible. In the present article, a three-dimensional model is derived in the framework of the finite-strain theory. An internal variable that describes the softening of the material is introduced, as well as an expression of the specific internal energy. A mechanical constitutive law is deduced from the Clausius–Duhem inequality. Moreover, a family of evolution equations for the internal variable is proposed. Here, an evolution equation with one relaxation time is chosen. By construction, this new model of the continuum is thermodynamically admissible and dissipative (inelastic). In the case of small uniaxial deformations, it is shown analytically that the model reproduces qualitatively the main features of real experiments. PMID:28588408

Majorana-Fermions, Their-Own Antiparticles, Following Non-Abelian Anyon/Semion Quantum-Statistics : Solid-State MEETS Particle Physics Neutrinos: Spin-Orbit-Coupled Superconductors and/or Superfluids to Neutrinos; Insulator-Heisenberg-Antiferromagnet MnF2 Majorana-Siegel-Birgenau-Keimer - Effect

NASA Astrophysics Data System (ADS)

Majorana-Fermi-Segre, E.-L.; Antonoff-Overhauser-Salam, Marvin-Albert-Abdus; Siegel, Edward Carl-Ludwig

2013-03-01

Majorana-fermions, being their own antiparticles, following non-Abelian anyon/semion quantum-statistics: in Zhang et.al.-...-Detwiler et.al.-...``Worlds-in-Collision'': solid-state/condensed-matter - physics spin-orbit - coupled topological-excitations in superconductors and/or superfluids -to- particle-physics neutrinos: ``When `Worlds' Collide'', analysis via Siegel[Schrodinger Centenary Symp., Imperial College, London (1987); in The Copenhagen-Interpretation Fifty-Years After the Como-Lecture, Symp. Fdns. Mod.-Phys., Joensu(1987); Symp. on Fractals, MRS Fall-Mtg., Boston(1989)-5-papers!!!] ``complex quantum-statistics in fractal-dimensions'', which explains hidden-dark-matter(HDM) IN Siegel ``Sephirot'' scenario for The Creation, uses Takagi[Prog.Theo.Phys. Suppl.88,1(86)]-Ooguri[PR D33,357(85)] - Picard-Lefschetz-Arnol'd-Vassil'ev[``Principia Read After 300 Years'', Not.AMS(1989); quantum-theory caveats comment-letters(1990); Applied Picard-Lefschetz Theory, AMS(2006)] - theorem quantum-statistics, which via Euler- formula becomes which via de Moivre- -formula further becomes which on unit-circle is only real for only, i.e, for, versus complex with imaginary-damping denominator for, i.e, for, such that Fermi-Dirac quantum-statistics for

Instability in radiatively melted silicon films

NASA Astrophysics Data System (ADS)

Jackson, K. A.; Kurtze, Douglas A.

1985-04-01

Bosch and Lemons [Phys. Rev. Letters 47 (1981) 1151] were first to report that on heating of silicon with a laser, the heated area can break up into small regions of solid and liquid. Thus phenomenon produces undesirable surface roughness on silicon which has been melted using irradiation from a laser or heat lamps. It is due to the higher reflectivity of liquid silicon so that radiative heating produces small regions of superheated solid in contact with small regions of supercooled liquid. In this paper, the instabilities resulting from this unusual thermal situation have been analyzed. It is shown that a stable pattern can develop provided that the spacing between the solid and liquid is small enough. For a 1/2 μm thick layer of polysilicon on silica, the calculated stable spacing is less than about 10 μm, in accord with experiment.

Dynamics of dense granular flows of small-and-large-grain mixtures in an ambient fluid.

PubMed

Meruane, C; Tamburrino, A; Roche, O

2012-08-01

Dense grain flows in nature consist of a mixture of solid constituents that are immersed in an ambient fluid. In order to obtain a good representation of these flows, the interaction mechanisms between the different constituents of the mixture should be considered. In this article, we study the dynamics of a dense granular flow composed of a binary mixture of small and large grains immersed in an ambient fluid. In this context, we extend the two-phase approach proposed by Meruane et al. [J. Fluid Mech. 648, 381 (2010)] to the case of flowing dense binary mixtures of solid particles, by including in the momentum equations a constitutive relation that describes the interaction mechanisms between the solid constituents in a dense regime. These coupled equations are solved numerically and validated by comparing the numerical results with experimental measurements of the front speed of gravitational granular flows resulting from the collapse, in ambient air or water, of two-dimensional granular columns that consisted of mixtures of small and large spherical particles of equal mass density. Our results suggest that the model equations include the essential features that describe the dynamics of grains flows of binary mixtures in an ambient fluid. In particular, it is shown that segregation of small and large grains can increase the front speed because of the volumetric expansion of the flow. This increase in flow speed is damped by the interaction forces with the ambient fluid, and this behavior is more pronounced in water than in air.

Direct numerical simulation of moderate-Reynolds-number flow past arrays of rotating spheres

NASA Astrophysics Data System (ADS)

Zhou, Qiang; Fan, Liang-Shih

2015-07-01

Direct numerical simulations with an immersed boundary-lattice Boltzmann method are used to investigate the effects of particle rotation on flows past random arrays of mono-disperse spheres at moderate particle Reynolds numbers. This study is an extension of a previous study of the authors [Q. Zhou and L.-S. Fan, "Direct numerical simulation of low-Reynolds-number flow past arrays of rotating spheres," J. Fluid Mech. 765, 396-423 (2015)] that explored the effects of particle rotation at low particle Reynolds numbers. The results of this study indicate that as the particle Reynolds number increases, the normalized Magnus lift force decreases rapidly when the particle Reynolds number is in the range lower than 50. For the particle Reynolds number greater than 50, the normalized Magnus lift force approaches a constant value that is invariant with solid volume fractions. The proportional dependence of the Magnus lift force on the rotational Reynolds number (based on the angular velocity and the diameter of the spheres) observed at low particle Reynolds numbers does not change in the present study, making the Magnus lift force another possible factor that can significantly affect the overall dynamics of fluid-particle flows other than the drag force. Moreover, it is found that both the normalized drag force and the normalized torque increase with the increase of the particle Reynolds number and the solid volume fraction. Finally, correlations for the drag force, the Magnus lift force, and the torque in random arrays of rotating spheres at arbitrary solids volume fractions, rotational Reynolds numbers, and particle Reynolds numbers are formulated.

An airborne jet train that flies on a soft porous track

NASA Astrophysics Data System (ADS)

Mirbod, Parisa; Andreopoulos, Yiannis; Weinbaum, Sheldon

2008-11-01

This paper explores the quantitative feasibility of developing an airborne jet train that flies on a soft porous track within centimeters of the earth's surface at speeds approaching current commercial jet aircraft. The jet train employs a lift mechanism first proposed in Feng & Weinbaum (2000) J. Fluid Mech. 422:282 and a nearly frictionless track suggested in Wu et al. (2004) Phys. Rev. Lett. 93(19):194501. Using an asymptotic analysis for large values of the permeability parameter H/Kp, where H is the porous layer thickness and Kp the Darcy permeability, we first show that it is possible to support a 70 metric ton jet train carrying 200 passengers on a confined porous material if its Kp is approximately 5 x 10-9 m^2. For this Kp one finds that the tilt of the planform is < 0.1 degrees and the lift-off velocity is < 5 m/s. Compression tests on a fiber-fill material with these properties show that the fibers contribute < 0.2 percent of the total lift and hence the friction force of the fiber phase is negligible. Using jet engines of 10,000 lbf thrust, about 1/5 that of a 200 passenger jet aircraft, one is able to obtain a cruising velocity approaching 700 km/hr. This would allow for huge fuel savings, especially on short flights where much of the energy is used to climb to altitude and overcoming lift induced drag.

Measurements of phoretic velocities of aerosol particles in microgravity conditions

NASA Astrophysics Data System (ADS)

Prodi, F.; Santachiara, G.; Travaini, S.; Vedernikov, A.; Dubois, F.; Minetti, C.; Legros, J. C.

2006-11-01

Measurements of thermo- and diffusio-phoretic velocities of aerosol particles (carnauba wax, paraffin and sodium chloride) were performed in microgravity conditions (Drop Tower facility, in Bremen, and Parabolic Flights, in Bordeaux). In the case of thermophoresis, a temperature gradient was obtained by heating the upper plate of the cell, while the lower one was maintained at environmental temperature. For diffusiophoresis, the water vapour gradient was obtained with sintered plates imbued with a water solution of MgCl 2 and distilled water, at the top and at the bottom of the cell, respectively. Aerosol particles were observed through a digital holographic velocimeter, a device allowing the determination of 3-D coordinates of particles from the observed volume. Particle trajectories and consequently particle velocities were reconstructed through the analysis of the sequence of particle positions. The experimental values of reduced thermophoretic velocities are between the theoretical values of Yamamoto and Ishihara [Yamamoto, K., Ishihara, Y., 1988. Thermophoresis of a spherical particle in a rarefied gas of a transition regime. Phys. Fluids. 31, 3618-3624] and Talbot et al. [Talbot, L., Cheng, R.K., Schefer, R.W., Willis, D.R., 1980. Thermophoresis of particles in a heated boundary layer. J. Fluid Mech. 101, 737-758], and do not show a clear dependence on the thermal conductivity of the aerosol. The existence of negative thermophoresis is not confirmed in our experiments. Concerning diffusiophoretic experiments, the results obtained show a small increase of reduced diffusiophoretic velocity with the Knudsen number.

Shock wave attenuation in a micro-channel

NASA Astrophysics Data System (ADS)

Giordano, J.; Perrier, P.; Meister, L.; Brouillette, M.

2018-05-01

This work presents optical measurements of shock wave attenuation in a glass micro-channel. This transparent facility, with a cross section ranging from 1 mm× 150 μm to 1 mm× 500 μm, allowed for the use of high-speed schlieren videography to visualize the propagation of a shock wave within the entire micro-channel and to quantify velocity attenuation of the wave due to wall effects. In this paper, we present the experimental technique and the relevant data treatment we have used to increase the sensitivity of shock wave detection. Then, we compared our experimental results for different channel widths, lengths, and shock wave velocities with the analytical model for shock attenuation proposed by Russell (J Fluid Mech 27(2):305-314, 1967), which assumes laminar flow, and by Mirels (Attenuation in a shock tube due to unsteady-boundary-layer action, NACA Report 1333, 1957) for turbulent flow. We found that these models are inadequate to predict the observed data, owing to the presence of fully developed flow which violates the basic assumption of these models. The data are also compared with the empirical shock attenuation models proposed by Zeitoun (Phys Fluids 27(1):011701, 2015) and Deshpande and Puranik (Shock Waves 26(4):465-475, 2016), where better agreement is observed. Finally, we presented experimental data for the flow field behind the shock wave from measurements of the Mach wave angle which shows globally decreasing flow Mach numbers due to viscous wall effects.

Plasma-assisted combustion in lean, high-pressure, preheated air-methane mixtures

NASA Astrophysics Data System (ADS)

Sommerer, Timothy; Herbon, John; Saddoughi, Seyed; Deminsky, Maxim; Potapkin, Boris

2013-09-01

We combine a simplified physical model with a detailed plasma-chemical reaction mechanism to analyze the use of plasmas to improve flame stability in a gas turbine used for electric power generation. For this application the combustion occurs in a lean mixture of air and methane at high pressure (18.6 atm) and at ``preheat'' temperature 700 K, and the flame zone is both recirculating and turbulent. The system is modeled as a sequence of reactors: a pulsed uniform plasma (Boltzmann), an afterglow region (plug-flow), a flame region (perfectly-stirred), and a downstream region (plug-flow). The plasma-chemical reaction mechanism includes electron-impact on the feedstock species, relaxation in the afterglow to neutral molecules and radicals, and methane combustion chemistry (GRI-Mech 3.0), with extensions to properly describe low-temperature combustion 700-1000 K [M Deminsky et al., Chem Phys 32, 1 (2013)]. We find that plasma treatment of the incoming air-fuel mixture can improve the stability of lean flames, expressed as a reduction in the adiabatic flame temperature at lean blow-out, but that the plasma also generates oxides of nitrogen at the preheat temperature through the reactions e + N2 --> N + N and N + O2 --> NO + O. We find that flame stability is improved with less undesirable NOx formation when the plasma reduced-electric-field E/ N is smaller. A portion of this work was supported by the US Dept of Energy under Award Number DE-FC26-08NT05868.

Entropic multirelaxation-time lattice Boltzmann method for moving and deforming geometries in three dimensions

NASA Astrophysics Data System (ADS)

Dorschner, B.; Chikatamarla, S. S.; Karlin, I. V.

2017-06-01

Entropic lattice Boltzmann methods have been developed to alleviate intrinsic stability issues of lattice Boltzmann models for under-resolved simulations. Its reliability in combination with moving objects was established for various laminar benchmark flows in two dimensions in our previous work [B. Dorschner, S. Chikatamarla, F. Bösch, and I. Karlin, J. Comput. Phys. 295, 340 (2015), 10.1016/j.jcp.2015.04.017] as well as for three-dimensional one-way coupled simulations of engine-type geometries in B . Dorschner, F. Bösch, S. Chikatamarla, K. Boulouchos, and I. Karlin [J. Fluid Mech. 801, 623 (2016), 10.1017/jfm.2016.448] for flat moving walls. The present contribution aims to fully exploit the advantages of entropic lattice Boltzmann models in terms of stability and accuracy and extends the methodology to three-dimensional cases, including two-way coupling between fluid and structure and then turbulence and deforming geometries. To cover this wide range of applications, the classical benchmark of a sedimenting sphere is chosen first to validate the general two-way coupling algorithm. Increasing the complexity, we subsequently consider the simulation of a plunging SD7003 airfoil in the transitional regime at a Reynolds number of Re =40 000 and, finally, to access the model's performance for deforming geometries, we conduct a two-way coupled simulation of a self-propelled anguilliform swimmer. These simulations confirm the viability of the new fluid-structure interaction lattice Boltzmann algorithm to simulate flows of engineering relevance.

Effect of nacelle on wake meandering in a laboratory scale wind turbine using LES

NASA Astrophysics Data System (ADS)

Foti, Daniel; Yang, Xiaolei; Guala, Michele; Sotiropoulos, Fotis

2015-11-01

Wake meandering, large scale motion in the wind turbine wakes, has considerable effects on the velocity deficit and turbulence intensity in the turbine wake from the laboratory scale to utility scale wind turbines. In the dynamic wake meandering model, the wake meandering is assumed to be caused by large-scale atmospheric turbulence. On the other hand, Kang et al. (J. Fluid Mech., 2014) demonstrated that the nacelle geometry has a significant effect on the wake meandering of a hydrokinetic turbine, through the interaction of the inner wake of the nacelle vortex with the outer wake of the tip vortices. In this work, the significance of the nacelle on the wake meandering of a miniature wind turbine previously used in experiments (Howard et al., Phys. Fluid, 2015) is demonstrated with large eddy simulations (LES) using immersed boundary method with fine enough grids to resolve the turbine geometric characteristics. The three dimensionality of the wake meandering is analyzed in detail through turbulent spectra and meander reconstruction. The computed flow fields exhibit wake dynamics similar to those observed in the wind tunnel experiments and are analyzed to shed new light into the role of the energetic nacelle vortex on wake meandering. This work was supported by Department of Energy DOE (DE-EE0002980, DE-EE0005482 and DE-AC04-94AL85000), and Sandia National Laboratories. Computational resources were provided by Sandia National Laboratories and the University of Minnesota Supercomputing.

Dynamic density functional theory with hydrodynamic interactions and fluctuations

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

Donev, Aleksandar, E-mail: donev@courant.nyu.edu; Vanden-Eijnden, Eric, E-mail: eve2@courant.nyu.edu

2014-06-21

We derive a closed equation for the empirical concentration of colloidal particles in the presence of both hydrodynamic and direct interactions. The ensemble average of our functional Langevin equation reproduces known deterministic Dynamic Density Functional Theory (DDFT) [M. Rex and H. Löwen, “Dynamical density functional theory with hydrodynamic interactions and colloids in unstable traps,” Phys. Rev. Lett. 101(14), 148302 (2008)], and, at the same time, it also describes the microscopic fluctuations around the mean behavior. We suggest separating the ideal (non-interacting) contribution from additional corrections due to pairwise interactions. We find that, for an incompressible fluid and in the absencemore » of direct interactions, the mean concentration follows Fick's law just as for uncorrelated walkers. At the same time, the nature of the stochastic terms in fluctuating DDFT is shown to be distinctly different for hydrodynamically-correlated and uncorrelated walkers. This leads to striking differences in the behavior of the fluctuations around Fick's law, even in the absence of pairwise interactions. We connect our own prior work [A. Donev, T. G. Fai, and E. Vanden-Eijnden, “A reversible mesoscopic model of diffusion in liquids: from giant fluctuations to Fick's law,” J. Stat. Mech.: Theory Exp. (2014) P04004] on fluctuating hydrodynamics of diffusion in liquids to the DDFT literature, and demonstrate that the fluid cannot easily be eliminated from consideration if one wants to describe the collective diffusion in colloidal suspensions.« less

Solid-liquid surface tensions of critical nuclei and nucleation barriers from a phase-field-crystal study of a model binary alloy using finite system sizes.

PubMed

Choudhary, Muhammad Ajmal; Kundin, Julia; Emmerich, Heike; Oettel, Martin

2014-08-01

Phase-field-crystal (PFC) modeling has emerged as a computationally efficient tool to address crystal growth phenomena on atomistic length and diffusive time scales. We use a two-dimensional phase-field-crystal model for a binary system based on Elder et al. [Phys. Rev. B 75, 064107 (2007)] to study critical nuclei and their liquid-solid phase boundaries, in particular the nucleus size dependence of the liquid-solid interface tension as well as of the nucleation barrier. Critical nuclei are stabilized in finite systems of various sizes, however, the extracted interface tension as function of the nucleus radius r is independent of system size. We suggest a phenomenological expression to describe the dependence of the extracted interface tension on the nucleus radius r for the liquid-solid system. Moreover, the numerical PFC results show that this dependency can not be fully described by the nonclassical Tolman formula.

Fundamental measure theory for the inhomogeneous hard-sphere system based on Santos' consistent free energy.

PubMed

Hansen-Goos, Hendrik; Mortazavifar, Mostafa; Oettel, Martin; Roth, Roland

2015-05-01

Based on Santos' general solution for the scaled-particle differential equation [Phys. Rev. E 86, 040102(R) (2012)], we construct a free-energy functional for the hard-sphere system. The functional is obtained by a suitable generalization and extension of the set of scaled-particle variables using the weighted densities from Rosenfeld's fundamental measure theory for the hard-sphere mixture [Phys. Rev. Lett. 63, 980 (1989)]. While our general result applies to the hard-sphere mixture, we specify remaining degrees of freedom by requiring the functional to comply with known properties of the pure hard-sphere system. Both for mixtures and pure systems, the functional can be systematically extended following the lines of our derivation. We test the resulting functionals regarding their behavior upon dimensional reduction of the fluid as well as their ability to accurately describe the hard-sphere crystal and the liquid-solid transition.

First-Principles Estimation of Electronic Temperature from X-Ray Thomson Scattering Spectrum of Isochorically Heated Warm Dense Matter

NASA Astrophysics Data System (ADS)

Mo, Chongjie; Fu, Zhenguo; Kang, Wei; Zhang, Ping; He, X. T.

2018-05-01

Through the perturbation formula of time-dependent density functional theory broadly employed in the calculation of solids, we provide a first-principles calculation of x-ray Thomson scattering spectrum of isochorically heated aluminum foil, as considered in the experiments of Sperling et al. [Phys. Rev. Lett. 115, 115001 (2015), 10.1103/PhysRevLett.115.115001], where ions were constrained near their lattice positions. From the calculated spectra, we find that the electronic temperature cannot exceed 2 eV, much smaller than the previous estimation of 6 eV via the detailed balance relation. Our results may well be an indication of unique electronic properties of warm dense matter, which can be further illustrated by future experiments. The lower electronic temperature predicted partially relieves the concern on the heating of x-ray free electron laser to the sample when used in structure measurement.

FeRh ground state and martensitic transformation

NASA Astrophysics Data System (ADS)

Zarkevich, Nikolai A.; Johnson, Duane D.

2018-01-01

Cubic B 2 FeRh exhibits a metamagnetic transition [(111) antiferromagnet (AFM) to ferromagnet (FM)] around 353 K and remains structurally stable at higher temperatures. However, the calculated zero-Kelvin phonons of AFM FeRh exhibit imaginary modes at M points in the Brillouin zone, indicating a premartensitic instability, which is a precursor to a martensitic transformation at low temperatures. Combining electronic-structure calculations with ab initio molecular dynamics, conjugate gradient relaxation, and the solid-state nudged-elastic band methods, we predict that AFM B 2 FeRh becomes unstable at ambient pressure and transforms without a barrier to an AFM(111) orthorhombic (martensitic) ground state below 90 ±10 K . We also consider competing structures, in particular, a tetragonal AFM(100) phase that is not the global ground state, as proposed [Phys. Rev. B 94, 180407(R) (2016), 10.1103/PhysRevB.94.180407], but a constrained solution.

Nitride Metal-Semiconductor Superlattices for Solid State Thermionic Energy Conversion

NASA Astrophysics Data System (ADS)

Wortman, Robert; Schroeder, Jeremy; Burmistrova, Polina; Zebarjadi, Mona; Bian, Zhixi; Shakouri, Ali; Sands, Timothy

2009-03-01

A new class of thermoelectric materials based off of superlattices have been proposed that show a potential for enhanced thermoelectric performance^1,2. The increase of thermoelectric figure-of-merit ZT of these materials is due to both the energy filtering effect of the Schottky barriers as well as the reduced thermal conductivity that results from increased interface density. Our work has centered on the metal-semiconductor materials system of HfN-ScN. These are both high temperature materials (Tm> 2500C). They have the same rocksalt crystal structure and similar lattice constants, allowing epitaxial growth. We have grown superlattices of these materials via DC magnetron sputtering. Results from x-ray diffraction, and electrical and thermal tests will be presented. Their potential as thermoelectric energy conversion materials will be discussed. 1 G. D. Mahan et al, Phys. Rev. Lett., 80, 4016 (1998) 2 D. Vashaee et al, Phys. Rev. Lett. 92, 106103 (2004)

Determination of structure tilting in magnetized plasmas—Time delay estimation in two dimensions

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

Guszejnov, Dávid; Bencze, Attila; Zoletnik, Sándor

2013-06-15

Time delay estimation (TDE) is a well-known technique to investigate poloidal flows in fusion plasmas. The present work is an extension of the earlier works of Bencze and Zoletnik [Phys. Plasmas 12, 052323 (2005)] and Tal et al.[Phys. Plasmas 18, 122304 (2011)]. From the prospective of the comparison of theory and experiment, it seems to be important to estimate the statistical properties of the TDE based on solid mathematical groundings. This paper provides analytic derivation of the variance of the TDE using a two-dimensional model for coherent turbulent structures in the plasma edge and also gives an explicit method formore » determination of the tilt angle of structures. As a demonstration, this method is then applied to the results of a quasi-2D Beam Emission Spectroscopy measurement performed at the TEXTOR tokamak.« less

Communication: Unraveling the {sup 4}He droplet-mediated soft-landing from ab initio-assisted and time-resolved density functional simulations: Au@{sup 4}He{sub 300}/TiO{sub 2}(110)

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

Lara-Castells, María Pilar de, E-mail: Pilar.deLara.Castells@csic.es; Aguirre, Néstor F.; Stoll, Hermann

2015-04-07

An ab-initio-based methodological scheme for He-surface interactions and zero-temperature time-dependent density functional theory for superfluid {sup 4}He droplets motion are combined to follow the short-time collision dynamics of the Au@{sup 4}He{sub 300} system with the TiO{sub 2}(110) surface. This composite approach demonstrates the {sup 4}He droplet-assisted sticking of the metal species to the surface at low landing energy (below 0.15 eV/atom), thus providing the first theoretical evidence of the experimentally observed {sup 4}He droplet-mediated soft-landing deposition of metal nanoparticles on solid surfaces [Mozhayskiy et al., J. Chem. Phys. 127, 094701 (2007) and Loginov et al., J. Phys. Chem. A 115,more » 7199 (2011)].« less

Quantum Spin Ice under a [111] Magnetic Field: From Pyrochlore to Kagome

NASA Astrophysics Data System (ADS)

Bojesen, Troels Arnfred; Onoda, Shigeki

2017-12-01

Quantum spin ice, modeled for magnetic rare-earth pyrochlores, has attracted great interest for hosting a U(1) quantum spin liquid, which involves spin-ice monopoles as gapped deconfined spinons, as well as gapless excitations analogous to photons. However, the global phase diagram under a [111] magnetic field remains open. Here we uncover by means of unbiased quantum Monte Carlo simulations that a supersolid of monopoles, showing both a superfluidity and a partial ionization, intervenes the kagome spin ice and a fully ionized monopole insulator, in contrast to classical spin ice where a direct discontinuous phase transition takes place. We also show that on cooling, kagome spin ice evolves towards a valence-bond solid similar to what appears in the associated kagome lattice model [S. V. Isakov et al., Phys. Rev. Lett. 97, 147202 (2006), 10.1103/PhysRevLett.97.147202]. Possible relevance to experiments is discussed.

The Strength of Chemical Bonds in Solids and Liquids (Preprint)

DTIC Science & Technology

2011-07-01

1979). 37 Triftshauser, W. & McGervey, J. D. Monovacancy formation energy in copper, silver, and gold by positron annihilation . Appl. Phys. 6, 177...framework for the application and interpretation of these values 9,10. To our knowledge, εij values have not been quantified using a thermodynamics approach...typically within experimental error. As a second application of εAA, we consider the enthalpy of fusion, ∆Hm, which accompanies the transformation from

Solid-State Laser Cooling of Ytterbium-Doped Tungstate Crystals

DTIC Science & Technology

2001-01-01

namely the heavy metal fluoride glass ZBLAN and yttrium aluminum garnet . Favorable properties of the ytterbium-tungstates include exceptionally high...Optical refrigeration in Nd-doped yttrium aluminum garnet ,” Phys. Rev. Lett. 21, 1172 (1968). 2M.S. Chang, S.S. Elliott, T.K. Gustafson, C. Hu, and...idea gained experimental feasibility. Even with this tool, early failures to optically cool condensed media such as Nd3+ doped in yttrium aluminum

Instability of long fingers in Hele--Shaw flows

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

Park, C.W.; Homsy, G.M.

1985-06-01

Experiments on steady fingers and their stability in Hele--Shaw cells, are reported. It is shown that the shape of steady fingers scales with a modified capillary number, Ca', as suggested by McLean and Saffman (J. Fluid. Mech. 102, 455 (1981) and our previous analysis (J. Fluid Mech. 139, 291 (1984)). The behavior at large Ca' is investigated by using a wide Hele--Shaw cell. It is observed that such fingers are unstable for Ca'>100, in agreement with the prediction by Taylor and Saffman (second symposium on naval hydrodynamics, 1958, p. 277) of instability as Ca'..-->..infinity. The mechanism is identified as onemore » of tip-splitting, which occurs periodically in the weakly supercritical regime, and in a more complex fashion for large Ca'.« less

Bipolar Spintronics: From magnetic diodes to magnetic bipolar transistors

NASA Astrophysics Data System (ADS)

Zutic, Igor

2004-03-01

We develop a theory of bipolar (electrons and holes) spin-polarized transport [1,2] in semiconductors and discuss its implications for spintronic devices [3]. In our proposal for magnetic bipolar transistors [4,5] we show how bipolar spintronics can lead to spin and magnetic field controlled active devices, not limited by the magnetoresistive effects used in all-metallic structures [3]. We focus on magnetic p-n diodes [1,2] with spatially dependent spin splitting (Zeeman or exchange) of carrier bands. An exchange splitting can be provided by ferromagnetic semiconductors [6], while a large Zeeman splitting can be realized in the presence of magnetic field in magnetically doped or narrow band gap semiconductors [3]. Our theory of magnetic diodes [1,2] can be directly applied to magnetic bipolar transistors--the three-terminal devices which consist of two magnetic p-n diodes connected in series [4,5]. Predictions of exponentially large magnetoresistance [1] and a strong coupling between the spin and charge transport leading to the spin-voltaic effect [1,7] for magnetic diodes are also relevant for magnetic bipolar transistors. In particular, in n-p-n transistors, we show the importance of considering the nonequilibrium spin leading to the spin-voltaic effect. In addition to the applied magnetic filed, the injected nonequilibrium spin can be used to dynamically control the current amplification (gain). Recent experimental progress [8,9] supports the viability of our theoretical proposals. [1] I. Zutic, J. Fabian, S. Das Sarma, Phys. Rev. Lett. 88, 066603 (2002). [2] J. Fabian, I. Zutic, S. Das Sarma, Phys. Rev. B 66, 165301 (2002). [3] I. Zutic, J. Fabian, S. Das Sarma, Rev. Mod. Phys., in press. [4] J. Fabian, I. Zutic, S. Das Sarma, cond-mat/0211639; cond-mat/0307014, Appl. Phys. Lett., in press. [5] J. Fabian and I. Zutic, cond-mat/0311456. [6] H. Ohno, Science 281, 951 (1998). [7] I. Zutic, J. Fabian, S. Das Sarma, Appl. Phys. Lett. 82, 221 (2003). [8] N. Samarth, S. H. Chun, K. C. Ku, S. J. Potashnik, P. Schiffer, Solid State Commun. 127, 173 (2003). [9] F. Tsui, L. Ma, L. He, Appl. Phys. 83, 954 (2003).

Isochoric heating of low Z solid targets with sub 10 fs laser pulses

NASA Astrophysics Data System (ADS)

Osterholz, Jens

2004-11-01

The investigation of high density plasmas plays an important role for astrophysics, inertial confinement fusion and x-ray lasers. Therefore the generation of dense plasmas with ultra-intense laser pulses is a field of enormous topical interest. An upper limit of the maximum plasma density that can be achieved with this method, however, occurs due to the formation of a preplasma and the expansion of the plasma during the interaction [1,2]. Here we describe a novel approach that is based on a laser system that generates sub 10 fs pulses with a low prepulse energy. Isochoric heating is demonstrated with small Z solid targets. Time integrated XUV spectroscopy is used to investigate K-shell emission from the plasma. In the spectra, only the Ly α and He α lines are observed, whereas transitions from orbitals with principal quantum numbers n > 2 are not present. This series limit is explained by pressure ionisation in the dense plasma. The XUV spectra were simulated by two different models [3]. The first calculates the effect of pressure ionisation and the second calculates the line intensity ratios. Preliminary calculations suggest that the plasma density of the emitting region is close to solid density with an electron temperature of about 100eV. We conclude that our laser system is well suited for isochoric heating of solid targets and an efficient transfer of the laser energy to the dense region of the target is possible. In cooperation with: T. Fischer, F. Brandl, G. Pretzler and O. Willi, Heinrich-Heine-University Duesseldorf, Germany, S. J. Rose, University of Oxford, United Kingdom [1] D. Riley et al., PRL 69, 3739 (1992). [2] A. Saemann et al., PRL 82, 4843 (1999). [3] S. J. Rose, J Phys B: Atom Molec Opt Phys, 25, 1667 (1992), 31, 2129 (1998).

Coupling microscopic and mesoscopic scales to simulate chemical equilibrium between a nanometric carbon cluster and detonation products fluid.

PubMed

Bourasseau, Emeric; Maillet, Jean-Bernard

2011-04-21

This paper presents a new method to obtain chemical equilibrium properties of detonation products mixtures including a solid carbon phase. In this work, the solid phase is modelled through a mesoparticle immersed in the fluid, such that the heterogeneous character of the mixture is explicitly taken into account. Inner properties of the clusters are taken from an equation of state obtained in a previous work, and interaction potential between the nanocluster and the fluid particles is derived from all-atoms simulations using the LCBOPII potential (Long range Carbon Bond Order Potential II). It appears that differences in chemical equilibrium results obtained with this method and the "composite ensemble method" (A. Hervouet et al., J. Phys. Chem. B, 2008, 112.), where fluid and solid phases are considered as non-interacting, are not significant, underlining the fact that considering the inhomogeneity of such system is crucial.

Instability in a system of two interacting liquid films: Formation of liquid bridges between solid surfaces

NASA Astrophysics Data System (ADS)

Forcada, Mikel L.

1993-01-01

A theoretical study of systems composed of two solid-supported liquid films that are subject to a mutual attractive interaction reveals the existence of a mechanical instability: for distances closer than a certain threshold value, the system composed by two separate liquid films has no stable equilibrium configurations, and the system collapses to form a single liquid body. The sudden condensation of a connecting liquid bridge when two solid surfaces are brought to close proximity inside an undersaturated medium has been observed experimentally using the surface-force apparatus [see, e.g., Christenson et al., Phys. Rev. B 39, 11750 (1989)]. In this paper, these results are explained as follows: first, liquid films condense on the surfaces; then, if the distance is short enough, the films jump to contact, because of a mechanical instability due to attractive interactions.

Charging and Discharging of Amorphous Solid Water Ice: Effects of Porosity

NASA Astrophysics Data System (ADS)

Bu, Caixia; Baragiola, Raul A.

2015-11-01

Introduction: Amorphous solid water (ASW) is abundant on Saturn’s icy satellites and rings [1,2], where it is subject to bombardment of energetic ions, electrons, and photons; together with secondary electron and ion emission, this may leave the surfaces charged. Surface potential can affect the flux of incoming charged particles, altering surface evolution. We examined the role of porosity [3] on electrostatic charging and discharging of ASW films at 30-140 K.Experiment: Experiments were performed in ultra-high vacuum [4]. ASW films were deposited at 30 K onto a liquid-He-cooled quartz crystal microbalance (QCM). Film porosity was calculated from the areal mass via the QCM and thickness via a UV-visible interferometry. ASW films were charged at 30 K using 500 eV He+. Surface potentials (Vs) of the films were measured with a Kelvin probe, and infrared spectra were collected using a Fourier transform infrared spectrometer.Results: We measured Vs of the ASW film at 30 K as a function of ion fluence (F). The Vs(F) deviates from a straight line at low fluence, attributed to emitted secondary electrons due to the negative polarization voltage [5,6], and increases linearly when the Vs is positive. We also measured Vs as a function of annealing temperature. We prepared ASW films with various porosities by annealing the films to different temperatures (Ta) prior to irradiation or varying the vapor-beam incidence angle (θ). Upon heating, we observed sharp decreases of the Vs at temperatures that strongly depend on Ta and θ. Decreases of the infrared absorbance of the dangling OH bands of the charged film share similar trends as that of the Vs. We propose a model that includes porosity for electrostatic charging/discharging of ASW films at temperatures below 100 K. Results are applicable to the study of plasma-surface interactions of icy satellites and rings.References: [1] Jurac et al., J. Geophys. Res. 100, 14821 (1995); [2] A. L. Graps et al., Space Sci. Rev. 137, 435 (2008); [3] U. Raut et al., J. Chem. Phys. 127, 204713 (2007); [4] C. Bu and R. B. Baragiola, J. Chem. Phys. 143, 074702 (2015); [5] C. Bu et al., J. Chem. Phys. 142, 134702 (2015); [6] M. J. Iedema et al., J. Phys. Chem. B 102, 9203 (1998).

Hyperbolic metamaterial nanostructures to tune charge-transfer dynamics (Conference Presentation)

NASA Astrophysics Data System (ADS)

Lee, Kwang Jin; Xiao, Yiming; Woo, Jae Heun; Kim, Eun Sun; Kreher, David; Attias, André-Jean; Mathevet, Fabrice; Ribierre, Jean-Charles; Wu, Jeong Weon; André, Pascal

2016-09-01

Charge transfer (CT) is an essential phenomenon relevant to numerous fields including biology, physics and chemistry.1-5 Here, we demonstrate that multi-layered hyperbolic metamaterial (HMM) substrates alter organic semiconductor CT dynamics.6 With triphenylene:perylene diimide dyad supramolecular self-assemblies prepared on HMM substrates, we show that both charge separation (CS) and charge recombination (CR) characteristic times are increased by factors of 2.5 and 1.6, respectively, resulting in longer-lived CT states. We successfully rationalize the experimental data by extending Marcus theory framework with dipole image interactions tuning the driving force. The number of metal-dielectric pairs alters the HMM interfacial effective dielectric constant and becomes a solid analogue to solvent polarizability. Based on the experimental results and extended Marcus theory framework, we find that CS and CR processes are located in normal and inverted regions on Marcus parabola diagram, respectively. The model and further PH3T:PCBM data show that the phenomenon is general and that molecular and substrate engineering offer a wide range of kinetic tailoring opportunities. This work opens the path toward novel artificial substrates designed to control CT dynamics with potential applications in fields including optoelectronics, organic solar cells and chemistry. 1. Marcus, Rev. Mod. Phys., 1993, 65, 599. 2. Marcus, Phys. Chem. Chem. Phys., 2012, 14, 13729. 3. Lambert, et al., Nat. Phys., 2012, 9, 10. 4. C. Clavero, Nat. Photon., 2014, 8, 95. 5. A. Canaguier-Durand, et al., Angew. Chem. Int. Ed., 2013, 52, 10533. 6. K. J. Lee, et al., Submitted, 2015, arxiv.org/abs/1510.08574.

Exchange and Correlation Effects in a Double Barrier Quantum Well

NASA Astrophysics Data System (ADS)

Hasbun, J. E.

2003-03-01

Studies of electronic properties in double barrier resonant tunneling systems usually involve the solution of the BenDaniel-Duke equation (BDK) in the presence of an applied voltage. Electron interactions are included by means of the Hartree term and the wavefunction is self-consistently obtained by coupling the BDK with the Poisson equation. In this work, we go beyond the Hartree approximation by including exchange and correlation effects (v_xc) through the local density functional theory. The analytically parametrized v_xc of Hedin and Lunqvist footnote[1]L. Hedin and B. I. Lundqvist, J. Phys C: Solid. St. Phys. 4, 2064(1971) is employed. While the calculation of v_xc involves extra self-consistency conditions, it is shown that the inclusion of exchange and correlation effects may be important in the electronic characteristics of these devices. For our earlier model footnote[2]J. E. Hasbun, APS Bull. 47, 914(2002) the v_xc potential is comparable to the Hartree electron term at low electric field values, but less so for much higher field. The v_xc employed here ^2 is not appreciably different from the more sophisticated one of Perdew and Zunger footnote[3]J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048(1981). JH wishes to thank Mei-Yin Chou for helpful discussions

First-principles Raman Spectra of Lead Titanate with Pressure

NASA Astrophysics Data System (ADS)

Schad, A.; Ganesh, P.; Cohen, R. E.; Ahart, M.

2010-03-01

PbTiO3 displays[1,2] a morphotropic phase boundary (MPB) under pressure at which electromechanical properties are maximal. Previously only complex solid-solutions were thought to exhibit such a boundary. To aid in the experimental study of the MPB region, we compute Raman scattering spectra of different phases of PbTiO3 with pressure using a DFT based first-principles approach and Density Functional Perturbation Theory (DFPT) [3]. The computed intensities and shifts with pressure agree very well with the experimental data measured on powder samples. Computations further allow comparison of Raman spectra and shifts in energetically competing phases raising the possibility of using calculations for experimental calibration of Raman spectra at any pressure. The results substantiate previous claims of a low-temperature monoclinic phase at the MPB at approximately 10 GPa in PbTiO3 as well as refute the possibility of an I4cm phase at higher pressures as suggested by other groups [4]. [1] Z. Wu and R. E. Cohen, Phys. Rev. Lett. 95, 037601 (2005), [2] M. Ahart et.al., Nature 451, 545 (2008), [3] P. Hermet et.al., J. Phys.:Condens. Matter 21, 215901 (2009) [4] P.E. Janolin et.al., Phys. Rev. Lett. 101, 237601 (2008).

Inhomogeneities in particle composition of single, levitated aerosol particles observed by Mie resonance spectroscopy

NASA Astrophysics Data System (ADS)

Krieger, Ulrich; Lienhard, Daniel; Bastelberger, Sandra; Steimer, Sarah

2014-05-01

Recent observations have indicated that organic aerosol particles in the atmosphere may exist in an amorphous semi-solid or even solid (i.e. glassy) state, e.g. [1]. The influence of highly viscous and glassy states on the timescale of aerosol particle equilibration with respect to water vapor have been investigated for some model systems of atmospheric aerosol, e.g. [2,3]. In particular, it has been shown that the kinetics of the water absorption/desorption process is controlled entirely by liquid-phase diffusion of water molecules for a highly viscous aerosol particle. A liquid phase diffusion model based on numerically solving the non-linear diffusion equation predicts strong internal gradients in water concentration when condensed phase diffusion impedes the water uptake from the gas phase [2]. Here we observe and quantify the internal concentration gradients in single, levitated, micron size aerosol particles of aqueous shikimic acid using elastic Mie resonance spectroscopy. A single, aqueous particle is levitated in an electro-dynamic balance (for details see [2]), dried for several days at room temperature, cooled to the target temperature and exposed to a rapid change in relative humidity. In addition to measuring the elastically backscattered light of a "white light" LED source and recording the full spectrum with a spectrograph as in [2], we use a tunable diode laser (TDL) to scan high resolution TE- and TM spectra. This combination allows observing various Mie resonance mode orders simultaneously. Since we perform the experiment at low temperatures and low humidities the changes in the Mie-spectra due to water uptake are sufficiently slow to resolve the kinetics. Experimental Mie resonance spectra are inverted to concentration profiles of water within the particle by applying the numerical diffusion model [2] in conjunction with Mie calculations of multilayered spheres [4]. [1] A. Virtanen et al. (2010): An amorphous solid state of biogenic secondary organic aerosol particles, Nature 467, 824-827. [2] B. Zobrist et al. (2011): Ultra-slow water diffusion in aqueous sucrose glasses, Phys. Chem. Chem. Phys. 13, 3514-3526. [3] D. L. Bones, J. P. Reid, D. M. Lienhard, and U. K. Krieger (2012): Comparing the mechanism of water condensation and evaporation in glassy aerosol, PNAS 109, 11613-11618. [4] O. Peña and U. Pal (2009): Scattering of electromagnetic radiation by a multilayered sphere, Comput. Phys. Commun. 180, 2348-2354.

Raman spectroscopy of triolein under high pressures

NASA Astrophysics Data System (ADS)

Tefelski, D. B.; Jastrzębski, C.; Wierzbicki, M.; Siegoczyński, R. M.; Rostocki, A. J.; Wieja, K.; Kościesza, R.

2010-03-01

This article presents results of the high pressure Raman spectroscopy of triolein. Triolein, a triacylglyceride (TAG) of oleic acid, is an unsaturated fat, present in natural oils such as olive oil. As a basic food component and an energy storage molecule, it has considerable importance for food and fuel industries. To generate pressure in the experiment, we used a high-pressure cylindrical chamber with sapphire windows, presented in (R.M. Siegoczyński, R. Kościesza, D.B. Tefelski, and A. Kos, Molecular collapse - modification of the liquid structure induced by pressure in oleic acid, High Press. Res. 29 (2009), pp. 61-66). Pressure up to 750 MPa was applied. A Raman spectrometer in "macro"-configuration was employed. Raman spectroscopy provides information on changes of vibrational modes related to structural changes of triolein under pressure. Interesting changes in the triglyceride C‒H stretching region at 2650-3100 cm-1 were observed under high-pressures. Changes were also observed in the ester carbonyl (C˭ O) stretching region 1700-1780 cm-1 and the C‒C stretching region at 1050-1150 cm-1. The overall luminescence of the sample decreased under pressure, making it possible to set longer spectrum acquisition time and obtain more details of the spectrum. The registered changes suggest that the high-pressure solid phase of triolein is organized as β-polymorphic, as was reported in (C. Akita, T. Kawaguchi, and F. Kaneko, Structural study on polymorphism of cis-unsaturated triacylglycerol: Triolein, J. Phys. Chem. B 110 (2006), pp. 4346-4353; E. Da Silva and D. Rousseau, Molecular order and thermodynamics of the solid-liquid transition in triglycerides via Raman spectroscopy, Phys. Chem. Chem. Phys. 10 (2008), pp. 4606-4613) (with temperature-induced phase transitions). The research has shown that Raman spectroscopy in TAGs under pressure reveals useful information about its structural changes.

Relativistic coupled-cluster and density-functional studies of argon at high pressure

NASA Astrophysics Data System (ADS)

Schwerdtfeger, Peter; Steenbergen, Krista G.; Pahl, Elke

2017-06-01

The equation of state P (V ,T ) for solid argon is determined by the calculation of accurate static and vibrational terms in the free energy. The static component comes from a quantum theoretical many-body expansion summing over all energetic contributions from two-, three-, and four-body fragments treated with relativistic coupled cluster theory, while the lattice vibrations are described at an anharmonic level including two- and three-body forces as well as temperature effects. The dynamic part is calculated within the Debye and Einstein approximation, as well as by a more accurate phonon treatment where the vibrational motions in the lattice are coupled. Our results are in good agreement with room-temperature high-pressure experimental data up to ˜20 GPa. In the 20-100 GPa pressure range, however, we see considerable deviations between experiment and theory, perhaps indicating missing four-body contributions (beyond the quadruple dipole terms included here), missing five and higher-body effects, and the need to go beyond the coupled cluster singles-doubles with perturbative triples treatment in such higher-body forces. This contrasts with the results for solid neon, where excellent agreement has been achieved taking only two- and three-body forces into account [P. Schwerdtfeger and A. Hermann, Phys. Rev. B 80, 064106 (2009), 10.1103/PhysRevB.80.064106]. We demonstrate that the phase transition from fcc to hcp cannot account for the large discrepancies observed. Density functional calculations give very mixed results in the high-pressure region, but some functionals such as optB88-vdW (proposed by Lundqvist and co-workers) describe the many-body forces in argon reasonably well over the range of pressures investigated. Theoretical investigations of the heavier rare gas solids reaching experimental accuracy in the high-pressure regime therefore remain a significant challenge.

Theme: Physical Science in Agriscience--The New Ag Mech.

ERIC Educational Resources Information Center

Buriak, Phil; And Others

1992-01-01

Seven theme articles discuss strategies for teaching mechanics, physical sciences in the study of foods, scientific principles in the agricultural curriculum, environmental issues in agriculture, and applied physical sciences. (SK)

Proceedings of the Tenth International Winterschool on New Developments in Solid State Physics "New Frontiers in Low-Dimensional Physics," Held in Mauterndorf, Austria, on 23-27 February 1998

DTIC Science & Technology

1998-02-01

Pfeiffer, K.W. West, cially pronounced for emission from the antibonding Science 264 (1994) 1740. level. This decrease of the exciton lifetime for...1996)1624. R.T Cox, A. Tardot, C. Grattepain, J. Appl. Phys. 7211(96124R.T92) Cox,; A. Tardot, C. G rattepain, J. WapD . Phy. 7 [26] R. Egger, H

An Explosively Actuated Electrical Switch Using Kapton Insulation

DTIC Science & Technology

1993-03-01

ionization pin. This is consistent with a shock-induced conduction model because the conductivity is known to increase with pressure.5 The aluminum...34Shock Induced Electrical Activity in Polymeric Solids. A Mechanically Induced Bond Scission Model ," J. Phys. Chem., 83 (23), 1979, p. 3048. 9. Graham...NSWC, White Oak, MD. 6-2 NSWCDD/TR-92/124 DISTRIBUTION Copies Chief of Naval Research Attn: ONR1132P(R. Miller ) 1 ONT 20T (L. V. Schmidt) 1

General, Unified, Multiscale Modeling to Predict the Sensitivity of Energetic Materials

DTIC Science & Technology

2011-10-05

Time dependence of molecular carbon cluster size in solid methane shocked with a piston velocity up =11 km /s. The initial temperature and density were...Galilean in- variant in configuration space, but the kinetic energy of the system depends on the scalar product of the total momentum with U. To... dependent superheating of the x-component shock direction of kinetic energy . This 224513-4 Dawes et al. J. Chem. Phys. 131, 224513 2009 Author

Leidenfrost drops on a heated liquid pool

NASA Astrophysics Data System (ADS)

Maquet, L.; Sobac, B.; Darbois-Texier, B.; Duchesne, A.; Brandenbourger, M.; Rednikov, A.; Colinet, P.; Dorbolo, S.

2016-09-01

We show that a volatile liquid drop placed at the surface of a nonvolatile liquid pool warmer than the boiling point of the drop can be held in a Leidenfrost state even for vanishingly small superheats. Such an observation points to the importance of the substrate roughness, negligible in the case considered here, in determining the threshold Leidenfrost temperature. A theoretical model based on the one proposed by Sobac et al. [Phys. Rev. E 90, 053011 (2014), 10.1103/PhysRevE.90.053011] is developed in order to rationalize the experimental data. The shapes of the drop and of the liquid substrate are analyzed. The model notably provides scalings for the vapor film thickness profile. For small drops, these scalings appear to be identical to the case of a Leidenfrost drop on a solid substrate. For large drops, in contrast, they are different, and no evidence of chimney formation has been observed either experimentally or theoretically in the range of drop sizes considered in this study. Concerning the evaporation dynamics, the radius is shown to decrease linearly with time whatever the drop size, which differs from the case of a Leidenfrost drop on a solid substrate. For high superheats, the characteristic lifetime of the drops versus the superheat follows a scaling law that is derived from the model, but, at low superheats, it deviates from this scaling by rather saturating.

Structure and stability of the finite-area von Kármán street

NASA Astrophysics Data System (ADS)

Luzzatto-Fegiz, Paolo; Williamson, Charles H. K.

2012-06-01

By using a recently developed numerical method, we explore in detail the possible inviscid equilibrium flows for a Kármán street comprising uniform, large-area vortices. In order to determine stability, we make use of an energy-based stability argument (originally proposed by Lord Kelvin), whose previous implementation had been unsuccessful in determining stability for the Kármán street [P. G. Saffman and J. C. Schatzman, "Stability of a vortex street of finite vortices," J. Fluid Mech. 117, 171-186 (1982), 10.1017/S0022112082001578]. We discuss in detail the issues affecting this interpretation of Kelvin's ideas, and show that this energy-based argument cannot detect subharmonic instabilities. To find superharmonic instabilities, we employ a recently introduced approach, which constitutes a reliable implementation of Kelvin's stability ideas [P. Luzzatto-Fegiz and C. H. K. Williamson, "Stability of conservative flows and new steady fluid solutions from bifurcation diagrams exploiting a variational argument," Phys. Rev. Lett. 104, 044504 (2010), 10.1103/PhysRevLett.104.044504]. For periodic flows, this leads us to organize solutions into families with fixed impulse I, and to construct diagrams involving the flow energy E and horizontal spacing (i.e., wavelength) L. Families of large-I vortex streets exhibit a turning point in L, and terminate with "cat's eyes" vortices (as also suggested by previous investigators). However, for low-I streets, the solution families display a multitude of turning points (leading to multiple possible streets, for given L), and terminate with teardrop-shaped vortices. This is radically different from previous suggestions in the literature. These two qualitatively different limiting states are connected by a special street, whereby vortices from opposite rows touch, such that each vortex boundary exhibits three corners. Furthermore, by following the family of I = 0 streets to small L, we gain access to a large, hitherto unexplored flow regime, involving streets with L significantly smaller than previously believed possible. To elucidate in detail the possible solution regimes, we introduce a map of spacing L, versus impulse I, which we construct by numerically computing a large number of steady vortex configurations. For each constant-impulse family of steady vortices, our stability approach also reveals a single superharmonic bifurcation, leading to new families of vortex streets, which exhibit lower symmetry.

Thermal decomposition and oxidation of CH3OH.

PubMed

Lee, Pei-Fang; Matsui, Hiroyuki; Xu, Ding-Wei; Wang, Niann-Shiah

2013-01-24

Thermal decomposition of CH(3)OH diluted in Ar has been studied by monitoring H atoms behind reflected shock waves of 100 ppm CH(3)OH + Ar. The total decomposition rate k(1) for CH(3)OH + M → products obtained in this study is expressed as, ln(k(1)/cm(3) molecule(-1) s(-1)) = -(14.81 ± 1.22) - (38.86 ± 1.82) × 10(3)/T, over 1359-1644 K. The present result on k(1) is indicated to be substantially smaller than the extrapolation of the most of the previous experimental data but consistent with the published theoretical results [Faraday Discuss. 2002, 119, 191-205 and J. Phys. Chem. A 2007, 111, 3932-3950]. Oxidation of CH(3)OH has been studied also by monitoring H atoms behind shock waves of (0.35-100) ppm CH(3)OH + (100-400) ppm O(2) + Ar. For the low concentration CH(3)OH (below 10 ppm) + O(2) mixtures, the initial concentration of CH(3)OH is evaluated by comparing evolutions of H atoms in the same concentration of CH(3)OH with addition of 300 ppm H(2) diluted in Ar. The branching fraction for CH(3)OH + Ar → (1)CH(2) + H(2)O + Ar has been quantitatively evaluated from this comparative measurements with using recent experimental result on the yield of H atoms in the reaction of (1,3)CH(2) + O(2) [J. Phys. Chem. A 2012, 116, 9245-9254]; i.e., the branching fraction for the above reaction is evaluated as, φ(1a) = 0.20 ± 0.04 at T = 1880-2050 K, in the 1.3 and 3.5 ppm CH(3)OH + 100 ppm O(2) samples. An extended reaction mechanism for the pyrolysis and oxidation of CH(3)OH is constructed based on the results of the present study combined with the oxidation mechanism of natural gas [GRI-Mech 3.0]; evolution of H atoms can be predicted very well with this new reaction scheme over a wide concentration range for the pyrolysis (0.36-100 ppm CH(3)OH), and oxidation (0.36-100 ppm CH(3)OH + 100/400 ppm O(2)) of methanol.

A New Homotopy Perturbation Scheme for Solving Singular Boundary Value Problems Arising in Various Physical Models

NASA Astrophysics Data System (ADS)

Roul, Pradip; Warbhe, Ujwal

2017-08-01

The classical homotopy perturbation method proposed by J. H. He, Comput. Methods Appl. Mech. Eng. 178, 257 (1999) is useful for obtaining the approximate solutions for a wide class of nonlinear problems in terms of series with easily calculable components. However, in some cases, it has been found that this method results in slowly convergent series. To overcome the shortcoming, we present a new reliable algorithm called the domain decomposition homotopy perturbation method (DDHPM) to solve a class of singular two-point boundary value problems with Neumann and Robin-type boundary conditions arising in various physical models. Five numerical examples are presented to demonstrate the accuracy and applicability of our method, including thermal explosion, oxygen-diffusion in a spherical cell and heat conduction through a solid with heat generation. A comparison is made between the proposed technique and other existing seminumerical or numerical techniques. Numerical results reveal that only two or three iterations lead to high accuracy of the solution and this newly improved technique introduces a powerful improvement for solving nonlinear singular boundary value problems (SBVPs).

The Spherical Tokamak MEDUSA for Mexico

NASA Astrophysics Data System (ADS)

Ribeiro, C.; Salvador, M.; Gonzalez, J.; Munoz, O.; Tapia, A.; Arredondo, V.; Chavez, R.; Nieto, A.; Gonzalez, J.; Garza, A.; Estrada, I.; Jasso, E.; Acosta, C.; Briones, C.; Cavazos, G.; Martinez, J.; Morones, J.; Almaguer, J.; Fonck, R.

2011-10-01

The former spherical tokamak MEDUSA (Madison EDUcation Small Aspect.ratio tokamak, R < 0.14m, a < 0.10m, BT < 0.5T, Ip < 40kA, 3ms pulse) is currently being recomissioned at the Universidad Autónoma de Nuevo León, Mexico, as part of an agreement between the Faculties of Mech.-Elect. Eng. and Phy. Sci.-Maths. The main objective for having MEDUSA is to train students in plasma physics & technical related issues, aiming a full design of a medium size device (e.g. Tokamak-T). Details of technical modifications and a preliminary scientific programme will be presented. MEDUSA-MX will also benefit any developments in the existing Mexican Fusion Network. Strong liaison within national and international plasma physics communities is expected. New activities on plasma & engineering modeling are expected to be developed in parallel by using the existing facilities such as a multi-platform computer (Silicon Graphics Altix XE250, 128G RAM, 3.7TB HD, 2.7GHz, quad-core processor), ancillary graph system (NVIDIA Quadro FE 2000/1GB GDDR-5 PCI X16 128, 3.2GHz), and COMSOL Multiphysics-Solid Works programs.

Surface plasticity: theory and computation

NASA Astrophysics Data System (ADS)

Esmaeili, A.; Steinmann, P.; Javili, A.

2017-11-01

Surfaces of solids behave differently from the bulk due to different atomic rearrangements and processes such as oxidation or aging. Such behavior can become markedly dominant at the nanoscale due to the large ratio of surface area to bulk volume. The surface elasticity theory (Gurtin and Murdoch in Arch Ration Mech Anal 57(4):291-323, 1975) has proven to be a powerful strategy to capture the size-dependent response of nano-materials. While the surface elasticity theory is well-established to date, surface plasticity still remains elusive and poorly understood. The objective of this contribution is to establish a thermodynamically consistent surface elastoplasticity theory for finite deformations. A phenomenological isotropic plasticity model for the surface is developed based on the postulated elastoplastic multiplicative decomposition of the surface superficial deformation gradient. The non-linear governing equations and the weak forms thereof are derived. The numerical implementation is carried out using the finite element method and the consistent elastoplastic tangent of the surface contribution is derived. Finally, a series of numerical examples provide further insight into the problem and elucidate the key features of the proposed theory.

Coupling photogrammetric data with DFN-DEM model for rock slope hazard assessment

NASA Astrophysics Data System (ADS)

Donze, Frederic; Scholtes, Luc; Bonilla-Sierra, Viviana; Elmouttie, Marc

2013-04-01

Structural and mechanical analyses of rock mass are key components for rock slope stability assessment. The complementary use of photogrammetric techniques [Poropat, 2001] and coupled DFN-DEM models [Harthong et al., 2012] provides a methodology that can be applied to complex 3D configurations. DFN-DEM formulation [Scholtès & Donzé, 2012a,b] has been chosen for modeling since it can explicitly take into account the fracture sets. Analyses conducted in 3D can produce very complex and unintuitive failure mechanisms. Therefore, a modeling strategy must be established in order to identify the key features which control the stability. For this purpose, a realistic case is presented to show the overall methodology from the photogrammetry acquisition to the mechanical modeling. By combining Sirovision and YADE Open DEM [Kozicki & Donzé, 2008, 2009], it can be shown that even for large camera to rock slope ranges (tested about one kilometer), the accuracy of the data are sufficient to assess the role of the structures on the stability of a jointed rock slope. In this case, on site stereo pairs of 2D images were taken to create 3D surface models. Then, digital identification of structural features on the unstable block zone was processed with Sirojoint software [Sirovision, 2010]. After acquiring the numerical topography, the 3D digitalized and meshed surface was imported into the YADE Open DEM platform to define the studied rock mass as a closed (manifold) volume to define the bounding volume for numerical modeling. The discontinuities were then imported as meshed planar elliptic surfaces into the model. The model was then submitted to gravity loading. During this step, high values of cohesion were assigned to the discontinuities in order to avoid failure or block displacements triggered by inertial effects. To assess the respective role of the pre-existing discontinuities in the block stability, different configurations have been tested as well as different degree of fracture persistency in order to enhance the possible contribution of rock bridges on the failure surface development. It is believed that the proposed methodology can bring valuable complementary information for rock slope stability analysis in presence of complex fractured system for which classical "Factor of Safety" is difficult to express. References • Harthong B., Scholtès L. & F.V. Donzé, Strength characterization of rock masses, using a coupled DEM-DFN model, Geophysical Journal International, doi: 10.1111/j.1365-246X.2012.05642.x, 2012. • Kozicki J & Donzé FV. YADE-OPEN DEM: an open--source software using a discrete element method to simulate granular material, Engineering Computations, 26(7):786-805, 2009 • Kozicki J, Donzé FV. A new open-source software developed for numerical simulations using discrete modeling methods, Comp. Meth. In Appl. Mech. And Eng. 197:4429-4443, 2008. • Poropat, G.V., New methods for mapping the structure of rock masses. In Proceedings, Explo 2001, Hunter Valley, New South Wales, 28-31 October 2001, pp. 253-260, 2001. • Scholtès, L. & Donzé FV. Modelling progressive failure in fractured rock masses using a 3D discrete element method, International Journal of Rock Mechanics and Mining Sciences, 52:18-30, 2012a. • Scholtès, L. & Donzé, F.-V., DEM model for soft and hard rocks: role of grain interlocking on strength, J. Mech. Phys. Solids, doi: 10.1016/j.jmps.2012.10.005, 2012b. • Sirovision, Commonwealth Scientific and Industrial Research Organisation CSIRO, Siro3D Sirovision 3D Imaging Mapping System Manual Version 4.1, 2010

See Also:Mechanics of Cohesive-frictional MaterialsCopyright © 2004 John Wiley & Sons, Ltd.Get Sample Copy