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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Comparative study of magnetic ordering in bulk and nanoparticles of Sm{sub 0.65}Ca{sub 0.35}MnO{sub 3}: Magnetization and electron magnetic resonance measurements

To explore the effect of size reduction to nanoscale on the hole doped Sm{sub 0.65}Ca{sub 0.35}MnO{sub 3} compound, dc magnetic measurements and electron magnetic resonance (EMR) were done on bulk and nanoparticle samples in the temperature range 10 ≤ T ≤ 300 K. Magnetization measurement showed that the bulk sample undergoes a charge ordering transition at 240 K and shows a mixed magnetic phase at low temperature. However, the nanosample underwent a ferromagnetic transition at 75 K, and the charge ordered state was destabilized on size reduction down to nanoscale. The low-temperature ferromagnetic component is found to be enhanced in nanoparticles as compared to their bulk counterpart. Interestingly around room temperature, bulk particles show higher magnetization where as at low temperature nanoparticles show higher magnetization. Ferromagnetism in the bulk is due to super exchange where as ferromagnetism in nanoparticles is due to uncompensated spins of the surface layer. Temperature variation of EMR parameters correlates well with the results of magnetic measurements. The magnetic behaviour of the nanoparticles is understood in terms of the core shell scenario.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Rotational stabilization of the resistive wall modes in tokamaks with a ferritic wall

The dynamics of the rotating resistive wall modes (RWMs) is analyzed in the presence of a uniform ferromagnetic resistive wall with μ{sup ^}≡μ/μ{sub 0}≤4 (μ is the wall magnetic permeability, and μ{sub 0} is the vacuum one). This mimics a possible arrangement in ITER with ferromagnetic steel in test blanket modules or in future experiments in JT-60SA tokamak [Y. Kamada, P. Barabaschi, S. Ishida, the JT-60SA Team, and JT-60SA Research Plan Contributors, Nucl. Fusion 53, 104010 (2013)]. The earlier studies predict that such a wall must provide a destabilizing influence on the plasma by reducing the beta limit and increasing the growth rates, compared to the reference case with μ{sup ^}=1. This is true for the locked modes, but the presented results show that the mode rotation changes the tendency to the opposite. At μ{sup ^}>1, the rotational stabilization related to the energy sink in the wall becomes even stronger than at μ{sup ^}=1, and this “external” effect develops at lower rotation frequency, estimated as several kHz at realistic conditions. The study is based on the cylindrical dispersion relation valid for arbitrary growth rates and frequencies. This relation is solved numerically, and the solutions are compared with analytical dependences obtained for slow (s/d{sub w}≫1) and fast (s/d{sub w}≪1) “ferromagnetic” rotating RWMs, where s is the skin depth and d{sub w} is the wall thickness. It is found that the standard thin-wall modeling becomes progressively less reliable at larger μ{sup ^}, and the wall should be treated as magnetically thick. The analysis is performed assuming only a linear plasma response to external perturbations without constraints on the plasma current and pressure profiles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Structure and dynamics of POPC bilayers in water solutions of room temperature ionic liquids

Molecular dynamics simulations in the NPT ensemble have been carried out to investigate the effect of two room temperature ionic liquids (RTILs), on stacks of phospholipid bilayers in water. We consider RTIL compounds consisting of chloride ([bmim][Cl]) and hexafluorophosphate ([bmim][PF{sub 6}]) salts of the 1-buthyl-3-methylimidazolium ([bmim]{sup +}) cation, while the phospholipid bilayer is made of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC). Our investigations focus on structural and dynamical properties of phospholipid and water molecules that could be probed by inelastic and quasi-elastic neutron scattering measurements. The results confirm the fast incorporation of [bmim]{sup +} into the lipid phase already observed in previous simulations, driven by the Coulomb attraction of the cation for the most electronegative oxygens in the POPC head group and by sizeable dispersion forces binding the neutral hydrocarbon tails of [bmim]{sup +} and of POPC. The [bmim]{sup +} absorption into the bilayer favours the penetration of water into POPC, causes a slight but systematic thinning of the bilayer, and further stabilises hydrogen bonds at the lipid/water interface that already in pure samples (no RTIL) display a lifetime much longer than in bulk water. On the other hand, the effect of RTILs on the diffusion constant of POPC (D{sub POPC}) does not reveal a clearly identifiable trend, since D{sub POPC} increases upon addition of [bmim][Cl] and decreases in the [bmim][PF{sub 6}] case. Moreover, because of screening, the electrostatic signature of each bilayer is only moderately affected by the addition of RTIL ions in solution. The analysis of long wavelength fluctuations of the bilayers shows that RTIL sorption causes a general decrease of the lipid/water interfacial tension and bending rigidity, pointing to the destabilizing effect of RTILs on lipid bilayers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A comparative study of the Au + H{sub 2}, Au{sup +} + H{sub 2}, and Au{sup −} + H{sub 2} systems: Potential energy surfaces and dynamics of reactive collisions

In order to study the Au{sup −} + H{sub 2} collision, a new global potential energy surface (PES) describing the ground electronic state of AuH{sub 2}{sup −} system is developed and compared with the PESs of the neutral [Zanchet et al., J. Chem. Phys. 132, 034301 (2010)] and cationic systems [Anaís et al., J. Chem. Phys. 135, 091102 (2011)]. We found that Au{sup −} − H{sub 2} presents a H-Au-H insertion minimum attributed to the stabilization of the LUMO 3b{sub 2} orbital, which can be considered as the preamble of the chemisorption well appearing in larger gold clusters. While the LUMO orbital is stabilized, the HOMO 6a{sub 1} is destabilized, creating a barrier at the geometry where the energy orbitals’ curves are crossing. In the anion, this HOMO is doubly occupied, while in the neutral system is half-filled and completely empty in the cation, explaining the gradual disappearance of the well and the barrier as the number of electrons decreases. The cation presents a well in the entrance channel partially explained by electrostatic interactions. The three systems’ reactions are highly endothermic, by 1.66, 2.79, and 3.23 eV for AuH, AuH{sup +}, and AuH{sup −} products, respectively. The reaction dynamics is studied using quasi-classical trajectory method for the three systems. The one corresponding to the anionic system is new in this work. Collision energies between 1.00 and 8.00 eV, measured for the cation, are in good agreement with the simulated cross section for the AuH{sup +}. It was also found that the total fragmentation, in three atoms, competes becoming dominant at sufficiently high energy. Here, we study the competition between the two different reaction pathways for the anionic, cationic, and neutral species, explaining the differences using a simple model based on the topology of the potential energy surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Hybrid simulation of toroidal Alfvén eigenmode on the National Spherical Torus Experiment

Energetic particle modes and Alfvén eigenmodes driven by super-Alfvénic fast ions are routinely observed in neutral beam heated plasmas on the National Spherical Torus eXperiment (NSTX). These modes can significantly impact fast ion transport and thus cause fast ion redistribution or loss. Self-consistent linear simulations of Toroidal Alfvén Eigenmodes (TAEs) in NSTX plasmas have been carried out with the kinetic/magnetohydrodynamic hybrid code M3D-K using experimental plasma parameters and profiles including plasma toroidal rotation. The simulations show that unstable TAEs with n=3,4, or 5 can be excited by the fast ions from neutral beam injection. The simulated mode frequency, mode radial structure, and phase shift are consistent with measurements from a multi-channel microwave reflectometer diagnostic. A sensitivity study on plasma toroidal rotation, safety factor q profile, and initial fast ion distribution is performed. The simulations show that rotation can have a significant destabilizing effect when the rotation is comparable or larger than the experimental level. The mode growth rate is sensitive to q profile and fast ion distribution. Although mode structure and peak position depend somewhat on q profile and plasma rotation, the variation of synthetic reflectometer response is within experimental uncertainty and it is not sensitive enough to see the difference clearly.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Magnetic field induced insulator-metal transition in nanocrystalline Pr{sub 0.67}Ca{sub 0.33}MnO{sub 3} compounds: Evidence of large temperature co-efficient of resistance

We report the electronic transport, magneto-transport, and magnetic properties of nanocrystalline Pr{sub 0.67}Ca{sub 0.33}MnO{sub 3} compound. A magnetic field induced insulator—metal transition appears for the external magnetic field higher than 50 kOe. We have obtained large value of the temperature coefficient of resistance (TCR) along with magnetoresistance and field coefficient of resistance (FCR). The value of TCR is 135%/K at 48 K. The calculated magnetoresistance is about −9.8 × 10{sup 7}% for 70 kOe and maximum FCR is about 320%/kOe around 75 K. Due to the application of the external magnetic field, charge ordered state of the compound is destabilized leading to such large values of TCR and FCR. Large values of TCR and FCR along with the large magnetoresistance exhibited by the material is interesting from the application point of view.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Theoretic base of Edge Local Mode triggering by vertical displacements

Vertical instability is studied with R-dependent displacement. For Solovev's configuration, the stability boundary of the vertical instability is calculated. The pressure gradient is a destabilizing factor which is contrary to Rebhan's result. Equilibrium parallel current density, j{sub //}, at plasma boundary is a drive of the vertical instability similar to Peeling-ballooning modes; however, the vertical instability cannot be stabilized by the magnetic shear which tends towards infinity near the separatrix. The induced current observed in the Edge Local Mode (ELM) triggering experiment by vertical modulation is derived. The theory provides some theoretic explanation for the mitigation of type-I ELMS on ASDEX Upgrade. The principle could be also used for ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Spectral and structural stability properties of charged particle dynamics in coupled lattices

It has been realized in recent years that coupled focusing lattices in accelerators and storage rings have significant advantages over conventional uncoupled focusing lattices, especially for high-intensity charged particle beams. A theoretical framework and associated tools for analyzing the spectral and structural stability properties of coupled lattices are formulated in this paper, based on the recently developed generalized Courant-Snyder theory for coupled lattices. It is shown that for periodic coupled lattices that are spectrally and structurally stable, the matrix envelope equation must admit matched solutions. Using the technique of normal form and pre-Iwasawa decomposition, a new method is developed to replace the (inefficient) shooting method for finding matched solutions for the matrix envelope equation. Stability properties of a continuously rotating quadrupole lattice are investigated. The Krein collision process for destabilization of the lattice is demonstrated.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

Mass variation of a thin liquid film driven by an acoustic wave

In this work, we investigate the dynamics of a thin liquid film subjected to an acoustic field in its bounding vapor space. For large acoustic wavelengths, the field imposes a spatially uniform, temporally periodic temperature and pressure at the vapor side of the film interface, which leads to a periodic driving force for mass exchange with the vapor. Neglecting the dynamics of the vapor space, we adopt the “one-sided” model for evaporation/condensation of thin liquid films. In the interest of determining the effect of oscillatory mass exchange on film stability, we consider films in thermodynamic equilibrium with the mean vapor conditions. The effects of oscillatory phase change on both linear stability and nonlinear dynamics are investigated for slightly inclined ceiling films that are destabilized by gravity and subject to thermocapillary effects. At linear order, this mass exchange is not found to alter the band of unstable wave numbers and only marginally affects the growth rates. Additionally, the mass exchanged during evaporation is balanced by condensation so that the total mass of the liquid film is conserved. However, due to nonlinear effects, we find that traveling waves encouraged by the inclination are subject to net mass loss. It is then found that normal thermocapillary effects enhance this loss, and that anomalous thermocapillarity mitigates or even reverses the loss to a mass gain.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Domain configuration changes under electric field-induced antiferroelectric-ferroelectric phase transitions in NaNbO{sub 3}-based ceramics

We recently developed a feasible crystal chemistry strategy to stabilize the antiferroelectricity in NaNbO{sub 3} through a chemical substitution to decrease the tolerance factor and increase the average electronegativity of the system [Shimizu et al., Dalton Trans. 44, 10763 (2015) and Guo et al., J. Appl. Phys. 117, 214103 (2015)]. Two novel lead-free antiferroelectric (AFE) solid solutions, (1-x)NaNbO{sub 3}-xCaZrO{sub 3} and (1-x)NaNbO{sub 3}-xSrZrO{sub 3}, have been found to exhibit the double polarization hysteresis typical of a reversible AFE ↔ ferroelectric (FE) phase transition. In this study, as demonstrated by (1-x)NaNbO{sub 3}-xCaZrO{sub 3} system, the influence of chemical modification and electrical poling on the AFE/FE phase stability was investigated, primarily focusing on the microstructural and crystallographic evolutions. Together with the macroscopic polarization hysteresis measurements, a well-demonstrated structure-property relationship was presented. It was found that the CaZrO{sub 3} substitution into NaNbO{sub 3} can effectively destabilize the FE Q phase and correspondingly lead to a spontaneous reverting to AFE P phase. In contrast to the reversible AFE ↔ FE phase transition, the domain morphology evolution exhibits irreversible nature with a growing process of the orientational domains after applying electric field. Moreover, a multiple-zone axes electron diffraction map of P and Q phases has been summarized and is believed to be an efficient diagram to determine the AFE/FE nature of the NaNbO{sub 3}-based systems.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Determination of contact maps in proteins: A combination of structural and chemical approaches

Contact map selection is a crucial step in structure-based molecular dynamics modelling of proteins. The map can be determined in many different ways. We focus on the methods in which residues are represented as clusters of effective spheres. One contact map, denoted as overlap (OV), is based on the overlap of such spheres. Another contact map, named Contacts of Structural Units (CSU), involves the geometry in a different way and, in addition, brings chemical considerations into account. We develop a variant of the CSU approach in which we also incorporate Coulombic effects such as formation of the ionic bridges and destabilization of possible links through repulsion. In this way, the most essential and well defined contacts are identified. The resulting residue-residue contact map, dubbed repulsive CSU (rCSU), is more sound in its physico-chemical justification than CSU. It also provides a clear prescription for validity of an inter-residual contact: the number of attractive atomic contacts should be larger than the number of repulsive ones — a feature that is not present in CSU. However, both of these maps do not correlate well with the experimental data on protein stretching. Thus, we propose to use rCSU together with the OV map. We find that the combined map, denoted as OV+rCSU, performs better than OV. In most situations, OV and OV+rCSU yield comparable folding properties but for some proteins rCSU provides contacts which improve folding in a substantial way. We discuss the likely residue-specificity of the rCSU contacts. Finally, we make comparisons to the recently proposed shadow contact map, which is derived from different principles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Simulation study of high-frequency energetic particle driven geodesic acoustic mode

High-frequency energetic particle driven geodesic acoustic modes (EGAM) observed in the large helical device plasmas are investigated using a hybrid simulation code for energetic particles and magnetohydrodynamics (MHD). Energetic particle inertia is incorporated in the MHD momentum equation for the simulation where the beam ion density is comparable to the bulk plasma density. Bump-on-tail type beam ion velocity distribution created by slowing down and charge exchange is considered. It is demonstrated that EGAMs have frequencies higher than the geodesic acoustic modes and the dependence on bulk plasma temperature is weak if (1) energetic particle density is comparable to the bulk plasma density and (2) charge exchange time (τ{sub cx}) is sufficiently shorter than the slowing down time (τ{sub s}) to create a bump-on-tail type distribution. The frequency of high-frequency EGAM rises as the energetic particle pressure increases under the condition of high energetic particle pressure. The frequency also increases as the energetic particle pitch angle distribution shifts to higher transit frequency. It is found that there are two kinds of particles resonant with EGAM: (1) trapped particles and (2) passing particles with transit frequency close to the mode frequency. The EGAMs investigated in this work are destabilized primarily by the passing particles whose transit frequencies are close to the EGAM frequency.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Identification of new turbulence contributions to plasma transport and confinement in spherical tokamak regime

Highly distinct features of spherical tokamaks (ST), such as National Spherical Torus eXperiment (NSTX) and NSTX-U, result in a different fusion plasma regime with unique physics properties compared to conventional tokamaks. Nonlinear global gyrokinetic simulations critical for addressing turbulence and transport physics in the ST regime have led to new insights. The drift wave Kelvin-Helmholtz (KH) instability characterized by intrinsic mode asymmetry is identified in strongly rotating NSTX L-mode plasmas. While the strong E x B shear associated with the rotation leads to a reduction in KH/ion temperature gradient turbulence, the remaining fluctuations can produce a significant ion thermal transport that is comparable to the experimental level in the outer core region (with no "transport shortfall"). The other new, important turbulence source identified in NSTX is the dissipative trapped electron mode (DTEM), which is believed to play little role in conventional tokamak regime. Due to the high fraction of trapped electrons, long wavelength DTEMs peaking around k θρ s ~ 0.1 are destabilized in NSTX collisionality regime by electron density and temperature gradients achieved there. Surprisingly, the E x B shear stabilization effect on DTEM is remarkably weak, which makes it a major turbulence source in the ST regime dominant over collisionless TEM (CTEM). The latter, on the other hand, is subject to strong collisional and E x B shear suppression in NSTX. DTEM is shown to produce significant particle, energy and toroidal momentum transport, in agreement with experimental levels in NSTX H-modes. Furthermore, DTEM-driven transport in NSTX parametric regime is found to increase with electron collision frequency, providing one possible source for the scaling of confinement time observed in NSTX H-modes. Most interestingly, the existence of a turbulence-free regime in the collision-induced CTEM to DTEM transition, corresponding to a minimum plasma transport in advanced ST collisionality regime, is predicted.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Manipulation of Dy-Mn coupling and ferrielectric phase diagram of DyMn{sub 2}O{sub 5}: The effect of Y substitution of Dy

DyMn{sub 2}O{sub 5} is an extraordinary example in the family of multiferroic manganites and it accommodates both the 4f and 3d magnetic ions with strong Dy-Mn (4f-3d) coupling. The electric polarization origin is believed to arise not only from the Mn spin interactions but also from the Dy-Mn coupling. Starting from proposed scenario on ferrielectricity in DyMn{sub 2}O{sub 5} where the exchange-strictions associated with the Mn{sup 3+}-Mn{sup 4+}-Mn{sup 3+} blocks and Dy{sup 3+}-Mn{sup 4+}-Dy{sup 3+} blocks generate the two ferroelectric sublattices, we perform a set of characterizations on the structure, magnetism, and electric polarization of Dy{sub 1-x}Y{sub x}Mn{sub 2}O{sub 5} in order to investigate the roles of Dy-Mn coupling in manipulating the ferrielectricity. It is revealed that the non-magnetic Y substitution of Dy suppresses gradually the Dy{sup 3+} spin ordering and the Dy-Mn coupling. Consequently, the ferroelectric sublattice generated by the exchange striction associated with the Dy{sup 3+}-Mn{sup 4+}-Dy{sup 3+} blocks is destabilized, but the ferroelectric sublattice generated by the exchange striction associated with the Mn{sup 3+}-Mn{sup 4+}-Mn{sup 3+} blocks remains less perturbed, enabling the ferrielectricity-ferroelectricity transitions with the Y substitution. A phenomenological ferrielectric domain model is suggested to explain the polarization reversal induced by the Y substitution. The present work presents a possible scenario of the multiferroic mechanism in not only DyMn{sub 2}O{sub 5} but probably also other RMn{sub 2}O{sub 5} members with strong 4f-3d coupling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

The alpha channeling effect

Alpha particles born through fusion reactions in a tokamak reactor tend to slow down on electrons, but that could take up to hundreds of milliseconds. Before that happens, the energy in these alpha particles can destabilize on collisionless timescales toroidal Alfven modes and other waves, in a way deleterious to energy confinement. However, it has been speculated that this energy might be instead be channeled into useful energy, so as to heat fuel ions or to drive current. Such a channeling needs to be catalyzed by waves Waves can produce diffusion in energy of the alpha particles in a way that is strictly coupled to diffusion in space. If these diffusion paths in energy-position space point from high energy in the center to low energy on the periphery, then alpha particles will be cooled while forced to the periphery. The energy from the alpha particles is absorbed by the wave. The amplified wave can then heat ions or drive current. This process or paradigm for extracting alpha particle energy collisionlessly has been called alpha channeling. While the effect is speculative, the upside potential for economical fusion is immense. The paradigm also operates more generally in other contexts of magnetically confined plasma.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

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

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

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Influence of toroidal rotation on resistive tearing modes in tokamaks

Influence of toroidal equilibrium plasma rotation on m/n = 2/1 resistive tearing modes is studied numerically using a 3D toroidal MHD code (CLT). It is found that the toroidal rotation with or without shear can suppress the tearing instability and the Coriolis effect in the toroidal geometry plays a dominant role on the rotation induced stabilization. For a high viscosity plasma (τ{sub R}/τ{sub V} ≫ 1, where τ{sub R} and τ{sub V} represent resistive and viscous diffusion time, respectively), the effect of the rotation shear combined with the viscosity appears to be stabilizing. For a low viscosity plasmas (τ{sub R}/τ{sub V} ≪ 1), the rotation shear shows a destabilizing effect when the rotation is large.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Effect of flexibility on the growth of concentration fluctuations in a suspension of sedimenting fibers: Particle simulations

Three-dimensional numerical simulations are performed to study the stability of a sedimenting suspension of weakly flexible fibers. It is well known that a suspension of rigid rods sedimenting under gravity at low Reynolds number is unstable to concentration fluctuations owing to hydrodynamic interactions. Flexible fibers, however, reorient while settling and even weak flexibility can alter their collective dynamics. In our recent work [Manikantan et al., “The instability of a sedimenting suspension of weakly flexible fibres,” J. Fluid Mech. 756, 935–964 (2014)], we developed a mean-field theory to predict the linear stability of such a system. Here, we verify these predictions using accurate and efficient particle simulations based on a slender-body model. We also demonstrate the mechanisms by which flexibility-induced reorientation alters suspension microstructure, and through it, its stability. Specifically, we first show that the anisotropy of the base state in the case of a suspension of flexible fibers has a destabilizing effect compared to a suspension of rigid rods. Second, a conflicting effect of flexibility is also shown to suppress particle clustering and slow down the growth of the instability. The relative magnitude of filament flexibility and rotational Brownian motion dictates which effect dominates, and our simulations qualitatively follow theoretically predicted trends. The mechanism for either effects is tied to the flexibility-induced reorientation of particles, which we illustrate using velocity and orientation statistics from our simulations. Finally, we also show that, in the case of an initially homogeneous and isotropic suspension, flexibility always acts to suppress the growth of the instability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗