Modelling Polar Self Assembly

NASA Astrophysics Data System (ADS)

Olvera de La Cruz, Monica; Sayar, Mehmet; Solis, Francisco J.; Stupp, Samuel I.

2001-03-01

Recent experimental studies in our group have shown that self assembled thin films of noncentrosymmetric supramolecular objects composed of triblock rodcoil molecules exhibit finite polar order. These aggregates have both long range dipolar and short range Ising-like interactions. We study the ground state of a simple model with these competing interactions. We find that the competition between Ising-like and dipolar forces yield a periodic domain structure, which can be controlled by adjusting the force constants and film thickness. When the surface forces are included in the potential, the system exhibits a finite macroscopic polar order.

A blended continuous–discontinuous finite element method for solving the multi-fluid plasma model

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

Sousa, E.M., E-mail: sousae@uw.edu; Shumlak, U., E-mail: shumlak@uw.edu

The multi-fluid plasma model represents electrons, multiple ion species, and multiple neutral species as separate fluids that interact through short-range collisions and long-range electromagnetic fields. The model spans a large range of temporal and spatial scales, which renders the model stiff and presents numerical challenges. To address the large range of timescales, a blended continuous and discontinuous Galerkin method is proposed, where the massive ion and neutral species are modeled using an explicit discontinuous Galerkin method while the electrons and electromagnetic fields are modeled using an implicit continuous Galerkin method. This approach is able to capture large-gradient ion and neutralmore » physics like shock formation, while resolving high-frequency electron dynamics in a computationally efficient manner. The details of the Blended Finite Element Method (BFEM) are presented. The numerical method is benchmarked for accuracy and tested using two-fluid one-dimensional soliton problem and electromagnetic shock problem. The results are compared to conventional finite volume and finite element methods, and demonstrate that the BFEM is particularly effective in resolving physics in stiff problems involving realistic physical parameters, including realistic electron mass and speed of light. The benefit is illustrated by computing a three-fluid plasma application that demonstrates species separation in multi-component plasmas.« less

Public goods with punishment and abstaining in finite and infinite populations

PubMed Central

Hauert, Christoph; Traulsen, Arne; Brandt, Hannelore; Nowak, Martin A.; Sigmund, Karl

2010-01-01

The evolution and maintenance of cooperation in human and animal societies challenges various disciplines ranging from evolutionary biology, to anthropology, social sciences and economics. In social interactions, cooperators increase the welfare of the group at some cost to themselves whereas defectors attempt to free-ride and neither provide benefits nor incur costs. The problem of cooperation becomes even more pronounced when increasing the number of interacting individuals. Punishment and voluntary participation have been identified as possible factors to support cooperation and prevent cheating. Typically, punishment behavior is unable to gain a foothold in a population, while volunteering alone can efficiently prevent deadlocks in states of mutual defection but is unable to stabilize cooperation. The combined effects of the two mechanisms have surprisingly different consequences in finite and infinite populations. Here we provide a detailed comparison of the two scenarios and demonstrate that driven by the inherent stochasticity of finite populations, the possibility to abstain from social interactions plays a pivotal role, which paves the way for the establishment of cooperation and punishment. PMID:20740068

Interface-Resolving Simulation of Collision Efficiency of Cloud Droplets

NASA Astrophysics Data System (ADS)

Wang, Lian-Ping; Peng, Cheng; Rosa, Bodgan; Onishi, Ryo

2017-11-01

Small-scale air turbulence could enhance the geometric collision rate of cloud droplets while large-scale air turbulence could augment the diffusional growth of cloud droplets. Air turbulence could also enhance the collision efficiency of cloud droplets. Accurate simulation of collision efficiency, however, requires capture of the multi-scale droplet-turbulence and droplet-droplet interactions, which has only been partially achieved in the recent past using the hybrid direct numerical simulation (HDNS) approach. % where Stokes disturbance flow is assumed. The HDNS approach has two major drawbacks: (1) the short-range droplet-droplet interaction is not treated rigorously; (2) the finite-Reynolds number correction to the collision efficiency is not included. In this talk, using two independent numerical methods, we will develop an interface-resolved simulation approach in which the disturbance flows are directly resolved numerically, combined with a rigorous lubrication correction model for near-field droplet-droplet interaction. This multi-scale approach is first used to study the effect of finite flow Reynolds numbers on the droplet collision efficiency in still air. Our simulation results show a significant finite-Re effect on collision efficiency when the droplets are of similar sizes. Preliminary results on integrating this approach in a turbulent flow laden with droplets will also be presented. This work is partially supported by the National Science Foundation.

Dynamical Quasicondensation of Hard-Core Bosons at Finite Momenta: A Non-equilibrium Condensation Effect

NASA Astrophysics Data System (ADS)

Heidrich-Meisner, Fabian; Vidmar, L.; Ronzheimer, J. P.; Hodgman, S.; Schreiber, M.; Braun, S.; Langer, S.; Bloch, I.; Schneider, U.

2016-05-01

Long-range order in quantum many-body systems is usually associated with equilibrium situations. Here, we experimentally investigate the quasicondensation of strongly interacting bosons at finite momenta in a far-from-equilibrium case. We prepare an inhomogeneous initial state consisting of one-dimensional Mott insulators in the center of otherwise empty one-dimensional chains in an optical lattice with a lattice constant d. After suddenly quenching the trapping potential to zero, we observe the onset of coherence in spontaneously forming quasicondensates in the lattice. Remarkably, the emerging phase order differs from the ground-state order and is characterized by peaks at finite momenta +/-(π / 2)(ℏ / d) in the momentum distribution function. Supported by the DFG via FOR 801.

Post-1906 stress recovery of the San Andreas fault system calculated from three-dimensional finite element analysis

USGS Publications Warehouse

Parsons, T.

2002-01-01

The M = 7.8 1906 San Francisco earthquake cast a stress shadow across the San Andreas fault system, inhibiting other large earthquakes for at least 75 years. The duration of the stress shadow is a key question in San Francisco Bay area seismic hazard assessment. This study presents a three-dimensional (3-D) finite element simulation of post-1906 stress recovery. The model reproduces observed geologic slip rates on major strike-slip faults and produces surface velocity vectors comparable to geodetic measurements. Fault stressing rates calculated with the finite element model are evaluated against numbers calculated using deep dislocation slip. In the finite element model, tectonic stressing is distributed throughout the crust and upper mantle, whereas tectonic stressing calculated with dislocations is focused mostly on faults. In addition, the finite element model incorporates postseismic effects such as deep afterslip and viscoelastic relaxation in the upper mantle. More distributed stressing and postseismic effects in the finite element model lead to lower calculated tectonic stressing rates and longer stress shadow durations (17-74 years compared with 7-54 years). All models considered indicate that the 1906 stress shadow was completely erased by tectonic loading no later than 1980. However, the stress shadow still affects present-day earthquake probability. Use of stressing rate parameters calculated with the finite element model yields a 7-12% reduction in 30-year probability caused by the 1906 stress shadow as compared with calculations not incorporating interactions. The aggregate interaction-based probability on selected segments (not including the ruptured San Andreas fault) is 53-70% versus the noninteraction range of 65-77%.

Surface cracks in a plate of finite width under tension or bending

NASA Technical Reports Server (NTRS)

Erdogan, F.; Boduroglu, H.

1984-01-01

The problem of a finite plate containing collinear surface cracks is considered and solved by using the line spring model with plane elasticity and Reissner's plate theory. The main focus is on the effect of interaction between two cracks or between cracks and stress-free plate boundaries on the stress intensity factors in an effort to provide extensive numerical results which may be useful in applications. Some sample results are obtained and are compared with the existing finite element results. Then the problem is solved for a single (internal) crack, two collinear cracks, and two corner cracks for wide range of relative dimensions. Particularly in corner cracks, the agreement with the finite element solution is surprisingly very good. The results are obtained for semi-elliptic and rectangular crack profiles which may, in practice, correspond to two limiting cases of the actual profile of a subcritically growing surface crack.

Surface cracks in a plate of finite width under extension or bending

NASA Technical Reports Server (NTRS)

Erdogan, F.; Boduroglu, H.

1984-01-01

In this paper the problem of a finite plate containing collinear surface cracks is considered. The problem is solved by using the line spring model with plane elasticity and Reissner's plate theory. The main purpose of the study is to investigate the effect of interaction between two cracks or between cracks and stress-free plate boundaries on the stress intensity factors and to provide extensive numerical results which may be useful in applications. First, some sample results are obtained and are compared with the existing finite element results. Then the problem is solved for a single (internal) crack, two collinear cracks and two corner cracks for wide range of relative dimensions. Particularly in corner cracks the agreement with the finite element solution is surprisingly very good. The results are obtained for semielliptic and rectangular crack profiles which may, in practice, correspond to two limiting cases of the actual profile of a subcritically growing surface crack.

Local structural ordering in surface-confined liquid crystals

NASA Astrophysics Data System (ADS)

Śliwa, I.; Jeżewski, W.; Zakharov, A. V.

2017-06-01

The effect of the interplay between attractive nonlocal surface interactions and attractive pair long-range intermolecular couplings on molecular structures of liquid crystals confined in thin cells with flat solid surfaces has been studied. Extending the McMillan mean field theory to include finite systems, it has been shown that confining surfaces can induce complex orientational and translational ordering of molecules. Typically, local smectic A, nematic, and isotropic phases have been shown to coexist in certain temperature ranges, provided that confining cells are sufficiently thick, albeit finite. Due to the nonlocality of surface interactions, the spatial arrangement of these local phases can display, in general, an unexpected complexity along the surface normal direction. In particular, molecules located in the vicinity of surfaces can still be organized in smectic layers, even though nematic and/or isotropic order can simultaneously appear in the interior of cells. The resulting surface freezing of smectic layers has been confirmed to occur even for rather weak surface interactions. The surface interactions cannot, however, prevent smectic layers from melting relatively close to system boundaries, even when molecules are still arranged in layers within the central region of the system. The internal interfaces, separating individual liquid-crystal phases, are demonstrated here to form fronts of local finite-size transitions that move across cells under temperature changes. Although the complex molecular ordering in surface confined liquid-crystal systems can essentially be controlled by temperature variations, specific thermal properties of these systems, especially the nature of the local transitions, are argued to be strongly conditioned to the degree of molecular packing.

Long-range interaction between heterogeneously charged membranes.

PubMed

Jho, Y S; Brewster, R; Safran, S A; Pincus, P A

2011-04-19

Despite their neutrality, surfaces or membranes with equal amounts of positive and negative charge can exhibit long-range electrostatic interactions if the surface charge is heterogeneous; this can happen when the surface charges form finite-size domain structures. These domains can be formed in lipid membranes where the balance of the different ranges of strong but short-ranged hydrophobic interactions and longer-ranged electrostatic repulsion result in a finite, stable domain size. If the domain size is large enough, oppositely charged domains in two opposing surfaces or membranes can be strongly correlated by the electrostatic interactions; these correlations give rise to an attractive interaction of the two membranes or surfaces over separations on the order of the domain size. We use numerical simulations to demonstrate the existence of strong attractions at separations of tens of nanometers. Large line tensions result in larger domains but also increase the charge density within the domain. This promotes correlations and, as a result, increases the intermembrane attraction. On the other hand, increasing the salt concentration increases both the domain size and degree of domain anticorrelation, but the interactions are ultimately reduced due to increased screening. The result is a decrease in the net attraction as salt concentration is increased. © 2011 American Chemical Society

Edge Singularities and Quasilong-Range Order in Nonequilibrium Steady States.

PubMed

De Nardis, Jacopo; Panfil, Miłosz

2018-05-25

The singularities of the dynamical response function are one of the most remarkable effects in many-body interacting systems. However in one dimension these divergences only exist strictly at zero temperature, making their observation very difficult in most cold atomic experimental settings. Moreover the presence of a finite temperature destroys another feature of one-dimensional quantum liquids: the real space quasilong-range order in which the spatial correlation functions exhibit power-law decay. We consider a nonequilibrium protocol where two interacting Bose gases are prepared either at different temperatures or chemical potentials and then joined. We show that the nonequilibrium steady state emerging at large times around the junction displays edge singularities in the response function and quasilong-range order.

Edge Singularities and Quasilong-Range Order in Nonequilibrium Steady States

NASA Astrophysics Data System (ADS)

De Nardis, Jacopo; Panfil, Miłosz

2018-05-01

The singularities of the dynamical response function are one of the most remarkable effects in many-body interacting systems. However in one dimension these divergences only exist strictly at zero temperature, making their observation very difficult in most cold atomic experimental settings. Moreover the presence of a finite temperature destroys another feature of one-dimensional quantum liquids: the real space quasilong-range order in which the spatial correlation functions exhibit power-law decay. We consider a nonequilibrium protocol where two interacting Bose gases are prepared either at different temperatures or chemical potentials and then joined. We show that the nonequilibrium steady state emerging at large times around the junction displays edge singularities in the response function and quasilong-range order.

Effect of Fibonacci modulation on superconductivity

NASA Astrophysics Data System (ADS)

Gupta, Sanjay; Sil, Shreekantha; Bhattacharyya, Bibhas

2006-02-01

We have studied finite-sized single band models with short-range pairing interactions between electrons in the presence of diagonal Fibonacci modulation in one dimension. Two models, namely the attractive Hubbard model and the Penson-Kolb model, have been investigated at half-filling at zero temperature by solving the Bogoliubov-de Gennes equations in real space within a mean-field approximation. The competition between 'disorder' and the pairing interaction leads to a suppression of superconductivity (of usual pairs with zero centre-of-mass momenta) in the strong-coupling limit while an enhancement of the pairing correlation is observed in the weak-coupling regime for both models. However, the dissimilarity of the pairing mechanisms in these two models brings about notable differences in the results. The extent to which the bond-ordered wave and the η-paired (of pairs with centre-of-mass momenta = π) phases of the Penson-Kolb model are affected by the disorder has also been studied in the present calculation. Some finite size effects are also identified.

A three dimensional immersed smoothed finite element method (3D IS-FEM) for fluid-structure interaction problems

NASA Astrophysics Data System (ADS)

Zhang, Zhi-Qian; Liu, G. R.; Khoo, Boo Cheong

2013-02-01

A three-dimensional immersed smoothed finite element method (3D IS-FEM) using four-node tetrahedral element is proposed to solve 3D fluid-structure interaction (FSI) problems. The 3D IS-FEM is able to determine accurately the physical deformation of the nonlinear solids placed within the incompressible viscous fluid governed by Navier-Stokes equations. The method employs the semi-implicit characteristic-based split scheme to solve the fluid flows and smoothed finite element methods to calculate the transient dynamics responses of the nonlinear solids based on explicit time integration. To impose the FSI conditions, a novel, effective and sufficiently general technique via simple linear interpolation is presented based on Lagrangian fictitious fluid meshes coinciding with the moving and deforming solid meshes. In the comparisons to the referenced works including experiments, it is clear that the proposed 3D IS-FEM ensures stability of the scheme with the second order spatial convergence property; and the IS-FEM is fairly independent of a wide range of mesh size ratio.

Finite-size effects on the radiative energy loss of a fast parton in hot and dense strongly interacting matter

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

Caron-Huot, Simon; Gale, Charles

2010-12-15

We consider finite-size effects on the radiative energy loss of a fast parton moving in a finite-temperature, strongly interacting medium, using the light-cone path integral formalism put forward by B. G. Zakharov [JETP Lett. 63, 952 (1996); 65, 615 (1997)]. We present a convenient reformulation of the problem that makes possible its exact numerical analysis. This is done by introducing the concept of a radiation rate in the presence of finite-size effects. This effectively extends the finite-temperature approach of Arnold, Moore, and Yaffe [J. High Energy Phys. 11 (2001) 057; 12 (2001) 009; 06 (2001) 030] (AMY) to include interferencemore » between vacuum and medium radiation. We compare results with those obtained in the regime considered by AMY, with those obtained at leading order in an opacity expansion, and with those obtained deep in the Landau-Pomeranchuk-Migdal regime.« less

Protecting a quantum state from environmental noise by an incompatible finite-time measurement

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

Brasil, Carlos Alexandre; Castro, L. A. de; Napolitano, R. d. J.

We show that measurements of finite duration performed on an open two-state system can protect the initial state from a phase-noisy environment, provided the measured observable does not commute with the perturbing interaction. When the measured observable commutes with the environmental interaction, the finite-duration measurement accelerates the rate of decoherence induced by the phase noise. For the description of the measurement of an observable that is incompatible with the interaction between system and environment, we have found an approximate analytical expression, valid at zero temperature and weak coupling with the measuring device. We have tested the validity of the analyticalmore » predictions against an exact numerical approach, based on the superoperator-splitting method, that confirms the protection of the initial state of the system. When the coupling between the system and the measuring apparatus increases beyond the range of validity of the analytical approximation, the initial state is still protected by the finite-time measurement, according with the exact numerical calculations.« less

Finite-size polyelectrolyte bundles at thermodynamic equilibrium

NASA Astrophysics Data System (ADS)

Sayar, M.; Holm, C.

2007-01-01

We present the results of extensive computer simulations performed on solutions of monodisperse charged rod-like polyelectrolytes in the presence of trivalent counterions. To overcome energy barriers we used a combination of parallel tempering and hybrid Monte Carlo techniques. Our results show that for small values of the electrostatic interaction the solution mostly consists of dispersed single rods. The potential of mean force between the polyelectrolyte monomers yields an attractive interaction at short distances. For a range of larger values of the Bjerrum length, we find finite-size polyelectrolyte bundles at thermodynamic equilibrium. Further increase of the Bjerrum length eventually leads to phase separation and precipitation. We discuss the origin of the observed thermodynamic stability of the finite-size aggregates.

Massive Photons: An Infrared Regularization Scheme for Lattice QCD+QED.

PubMed

Endres, Michael G; Shindler, Andrea; Tiburzi, Brian C; Walker-Loud, André

2016-08-12

Standard methods for including electromagnetic interactions in lattice quantum chromodynamics calculations result in power-law finite-volume corrections to physical quantities. Removing these by extrapolation requires costly computations at multiple volumes. We introduce a photon mass to alternatively regulate the infrared, and rely on effective field theory to remove its unphysical effects. Electromagnetic modifications to the hadron spectrum are reliably estimated with a precision and cost comparable to conventional approaches that utilize multiple larger volumes. A significant overall cost advantage emerges when accounting for ensemble generation. The proposed method may benefit lattice calculations involving multiple charged hadrons, as well as quantum many-body computations with long-range Coulomb interactions.

Precursor of superfluidity in a strongly interacting Fermi gas with negative effective range

NASA Astrophysics Data System (ADS)

Tajima, Hiroyuki

2018-04-01

We investigate theoretically the effects of pairing fluctuations in an ultracold Fermi gas near a Feshbach resonance with a negative effective range. By employing a many-body T -matrix theory with a coupled fermion-boson model, we show that the single-particle density of states exhibits the so-called pseudogap phenomenon, which is a precursor of superfluidity induced by strong pairing fluctuations. We clarify the region where strong pairing fluctuations play a crucial role in single-particle properties, from the broad-resonance region to the narrow-resonance limit at the divergent two-body scattering length. We also extrapolate the effects of pairing fluctuations to the positive-effective-range region from our results near the narrow Feshbach resonance. Results shown in this paper are relevant to the connection between ultracold Fermi gases and low-density neutron matter from the viewpoint of finite-effective-range corrections.

Vortex Interactions from a Finite Span Cylinder with a Laminar Boundary Layer for Varied Parameters

NASA Astrophysics Data System (ADS)

Gildersleeve, Samantha; Amitay, Michael

2017-11-01

Flow structures around a stationary, wall-mounted, finite-span cylindrical pin were investigated experimentally over a flat plate to explore the effects of varied aspect ratio and pin mean height with respect to the local boundary layer. Nine static pin configurations were tested where the pin's mean height to the local boundary layer thickness were 0.5, 1, and 1.5 for a range of aspect ratios between 0.125 and 1.125. The freestream velocity was fixed at 11 m/s, corresponding to ReD 2800, 5600, and 8400, respectively. Three-dimensional flowfields were reconstructed and analyzed from SPIV measurements where data were collected along cross-stream planes in the wake of the pin. This study focuses on three dominant vortical patterns associated with a finite span cylinder: the arch-type vortex horseshoe vortex, and the tip vortices Results indicate that both the aspect ratio and mean height play an important role in the behavior and interactions of these vortex structures which alter the wake characteristics significantly. Understanding the mechanisms by which the vortical structures may be strengthened while reducing adverse local pressure drag are key for developing more efficient means of passive and/or active flow control through finite span cylindrical pins and will be discussed in further detail. NDSEG Fellowship for Samantha Gildersleeve.

Systematics of α-decay fine structure in odd-mass nuclei based on a finite-range nucleon-nucleon interaction

NASA Astrophysics Data System (ADS)

Adel, A.; Alharbi, T.

2018-07-01

A systematic study on α-decay fine structure is presented for odd-mass nuclei in the range 83 ≤ Z ≤ 92. The α-decay partial half-lives and branching ratios to the ground and excited states of daughter nuclei are calculated in the framework of the Wentzel-Kramers-Brillouin (WKB) approximation with the implementation of the Bohr-Sommerfeld quantization condition. The microscopic α-daughter potential is obtained using the double-folding model with a realistic M3Y-Paris nucleon-nucleon (NN) interaction. The exchange potential, which accounts for the knock-on exchange of nucleons between the interacting nuclei, is calculated using the finite-range exchange NN interaction which is essentially a much better approximation as compared to the zero-range pseudo-potential adopted in the usual double-folding calculations. Our calculations of α-decay fine structure have been improved by considering the preformation factor extracted from the recently proposed cluster formation model on basis of the binding energy difference. The computed partial half-lives and branching ratios are compared with the recent experimental data and they are in good agreement.

An inviscid-viscous interaction approach to the calculation of dynamic stall initiation on airfoils

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

Cebeci, T.; Platzer, M.F.; Jang, H.M.

An interactive boundary-layer method is described for computing unsteady incompressible flow over airfoils, including the initiation of dynamic stall. The inviscid unsteady panel method developed by Platzer and Teng is extended to include viscous effects. The solutions of the boundary-layer equations are obtained with an inverse finite-difference method employing an interaction law based on the Hilbert integral, and the algebraic eddy-viscosity formulation of Cebeci and Smith. The method is applied to airfoils subject to periodic and ramp-type motions and its abilities are examined for a range of angles of attack, reduced frequency, and pitch rate.

On the long range propagation of sound over irregular terrain

NASA Technical Reports Server (NTRS)

Howe, M. S.

1984-01-01

The theory of sound propagation over randomly irregular, nominally plane terrain of finite impedance is discussed. The analysis is an extension of the theory of coherent scatter originally proposed by Biot for an irregular rigid surface. It combines Biot's approach, wherein the surface irregularities are modeled by a homogeneous distribution of hemispherical bosses, with more conventional analyses in which the ground is modeled as a smooth plane of finite impedance. At sufficiently low frequencies the interaction of the surface irregularities with the nearfield of a ground-based source leads to the production of surface waves, which are effective in penetrating the ground shadow zone predicted for a smooth surface of the same impedance.

The finite-size effect in thin liquid crystal systems

NASA Astrophysics Data System (ADS)

Śliwa, I.

2018-05-01

Effects of surface ordering in liquid crystal systems confined between cell plates are of great theoretical and experimental interest. Liquid crystals introduced in thin cells are known to be strongly stabilized and ordered by cell plates. We introduce a new theoretical method for analyzing the effect of surfaces on local molecular ordering in thin liquid crystal systems with planar geometry of the smectic layers. Our results show that, due to the interplay between pair long-range intermolecular forces and nonlocal, relatively short-range, surface interactions, both orientational and translational orders of liquid crystal molecules across confining cells are very complex. In particular, it is demonstrated that the SmA, nematic, and isotropic phases can coexist. The phase transitions from SmA to nematic, as well as from nematic to isotropic phases, occur not simultaneously in the whole volume of the system but begin to appear locally in some regions of the LC sample. Phase transition temperatures are demonstrated to be strongly affected by the thickness of the LC system. The dependence of the corresponding shifts of phase transition temperatures on the layer number is shown to exhibit a power law character. This new type of scaling behavior is concerned with the coexistence of local phases in finite systems. The influence of a specific character of interactions of molecules with surfaces and other molecules on values of the resulting critical exponents is also analyzed.

Finite-size corrections to the excitation energy transfer in a massless scalar interaction model

NASA Astrophysics Data System (ADS)

Maeda, Nobuki; Yabuki, Tetsuo; Tobita, Yutaka; Ishikawa, Kenzo

2017-05-01

We study the excitation energy transfer (EET) for a simple model in which a massless scalar particle is exchanged between two molecules. We show that a finite-size effect appears in EET by the interaction energy due to overlapping of the quantum waves in a short time interval. The effect generates finite-size corrections to Fermi's golden rule and modifies EET probability from the standard formula in the Förster mechanism. The correction terms come from transition modes outside the resonance energy region and enhance EET probability substantially.

Scaling functions for systems with finite range of interaction

NASA Astrophysics Data System (ADS)

Sampaio-Filho, C. I. N.; Moreira, F. G. B.

2013-09-01

We present a numerical determination of the scaling functions of the magnetization, the susceptibility, and the Binder's cumulant for two nonequilibrium model systems with varying range of interactions. We consider Monte Carlo simulations of the block voter model (BVM) on square lattices and of the majority-vote model (MVM) on random graphs. In both cases, the satisfactory data collapse obtained for several system sizes and interaction ranges supports the hypothesis that these functions are universal. Our analysis yields an accurate estimation of the long-range exponents, which govern the decay of the critical amplitudes with the range of interaction, and is consistent with the assumption that the static exponents are Ising-like for the BVM and classical for the MVM.

Random-field-induced disordering mechanism in a disordered ferromagnet: Between the Imry-Ma and the standard disordering mechanism

NASA Astrophysics Data System (ADS)

Andresen, Juan Carlos; Katzgraber, Helmut G.; Schechter, Moshe

2017-12-01

Random fields disorder Ising ferromagnets by aligning single spins in the direction of the random field in three space dimensions, or by flipping large ferromagnetic domains at dimensions two and below. While the former requires random fields of typical magnitude similar to the interaction strength, the latter Imry-Ma mechanism only requires infinitesimal random fields. Recently, it has been shown that for dilute anisotropic dipolar systems a third mechanism exists, where the ferromagnetic phase is disordered by finite-size glassy domains at a random field of finite magnitude that is considerably smaller than the typical interaction strength. Using large-scale Monte Carlo simulations and zero-temperature numerical approaches, we show that this mechanism applies to disordered ferromagnets with competing short-range ferromagnetic and antiferromagnetic interactions, suggesting its generality in ferromagnetic systems with competing interactions and an underlying spin-glass phase. A finite-size-scaling analysis of the magnetization distribution suggests that the transition might be first order.

The MV model of the color glass condensate for a finite number of sources including Coulomb interactions

DOE PAGES

McLerran, Larry; Skokov, Vladimir V.

2016-09-19

We modify the McLerran–Venugopalan model to include only a finite number of sources of color charge. In the effective action for such a system of a finite number of sources, there is a point-like interaction and a Coulombic interaction. The point interaction generates the standard fluctuation term in the McLerran–Venugopalan model. The Coulomb interaction generates the charge screening originating from well known evolution in x. Such a model may be useful for computing angular harmonics of flow measured in high energy hadron collisions for small systems. In this study we provide a basic formulation of the problem on a lattice.

Finite temperature static charge screening in quantum plasmas

NASA Astrophysics Data System (ADS)

Eliasson, B.; Akbari-Moghanjoughi, M.

2016-07-01

The shielding potential around a test charge is calculated, using the linearized quantum hydrodynamic formulation with the statistical pressure and Bohm potential derived from finite temperature kinetic theory, and the temperature effects on the force between ions is assessed. The derived screening potential covers the full range of electron degeneracy in the equation of state of the plasma electrons. An attractive force between shielded ions in an arbitrary degenerate plasma exists below a critical temperature and density. The effect of the temperature on the screening potential profile qualitatively describes the ion-ion bound interaction strength and length variations. This may be used to investigate physical properties of plasmas and in molecular-dynamics simulations of fermion plasma. It is further shown that the Bohm potential including the kinetic corrections has a profound effect on the Thomson scattering cross section in quantum plasmas with arbitrary degeneracy.

Novel Infrared Dynamics of Cold Atoms on Hot Graphene

NASA Astrophysics Data System (ADS)

Sengupta, Sanghita; Kotov, Valeri; Clougherty, Dennis

The low-energy dynamics of cold atoms interacting with macroscopic graphene membranes exhibits severe infrared divergences when treated perturbatively. These infrared problems are even more pronounced at finite temperature due to the (infinitely) many flexural phonons excited in graphene. We have devised a technique to take account (resummation) of such processes in the spirit of the well-known exact solution of the independent boson model. Remarkably, there is also similarity to the infrared problems and their treatment (via the Bloch-Nordsieck scheme) in finite temperature ``hot'' quantum electrodynamics and chromodynamics due to the long-range, unscreened nature of gauge interactions. The method takes into account correctly the strong damping provided by the many emitted phonons at finite temperature. In our case, the inverse membrane size plays the role of an effective low-energy scale, and, unlike the above mentioned field theories, there remains an unusual, highly nontrivial dependence on that scale due to the 2D nature of the problem. We present detailed results for the sticking (atomic damping rate) rate of cold atomic hydrogen as a function of the membrane temperature and size. We find that the rate is very strongly dependent on both quantities.

Superfluid transition of homogeneous and trapped two-dimensional Bose gases.

PubMed

Holzmann, Markus; Baym, Gordon; Blaizot, Jean-Paul; Laloë, Franck

2007-01-30

Current experiments on atomic gases in highly anisotropic traps present the opportunity to study in detail the low temperature phases of two-dimensional inhomogeneous systems. Although, in an ideal gas, the trapping potential favors Bose-Einstein condensation at finite temperature, interactions tend to destabilize the condensate, leading to a superfluid Kosterlitz-Thouless-Berezinskii phase with a finite superfluid mass density but no long-range order, as in homogeneous fluids. The transition in homogeneous systems is conveniently described in terms of dissociation of topological defects (vortex-antivortex pairs). However, trapped two-dimensional gases are more directly approached by generalizing the microscopic theory of the homogeneous gas. In this paper, we first derive, via a diagrammatic expansion, the scaling structure near the phase transition in a homogeneous system, and then study the effects of a trapping potential in the local density approximation. We find that a weakly interacting trapped gas undergoes a Kosterlitz-Thouless-Berezinskii transition from the normal state at a temperature slightly below the Bose-Einstein transition temperature of the ideal gas. The characteristic finite superfluid mass density of a homogeneous system just below the transition becomes strongly suppressed in a trapped gas.

Discreteness effects in a reacting system of particles with finite interaction radius.

PubMed

Berti, S; López, C; Vergni, D; Vulpiani, A

2007-09-01

An autocatalytic reacting system with particles interacting at a finite distance is studied. We investigate the effects of the discrete-particle character of the model on properties like reaction rate, quenching phenomenon, and front propagation, focusing on differences with respect to the continuous case. We introduce a renormalized reaction rate depending both on the interaction radius and the particle density, and we relate it to macroscopic observables (e.g., front speed and front thickness) of the system.

Migration of finite sized particles in a laminar square channel flow from low to high Reynolds numbers

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

Abbas, M., E-mail: micheline.abbas@ensiacet.fr; CNRS, Fédération de recherche FERMaT, CNRS, 31400, Toulouse; Magaud, P.

2014-12-15

The migration of neutrally buoyant finite sized particles in a Newtonian square channel flow is investigated in the limit of very low solid volumetric concentration, within a wide range of channel Reynolds numbers Re = [0.07-120]. In situ microscope measurements of particle distributions, taken far from the channel inlet (at a distance several thousand times the channel height), revealed that particles are preferentially located near the channel walls at Re > 10 and near the channel center at Re < 1. Whereas the cross-streamline particle motion is governed by inertia-induced lift forces at high inertia, it seems to be controlledmore » by shear-induced particle interactions at low (but finite) Reynolds numbers, despite the low solid volume fraction (<1%). The transition between both regimes is observed in the range Re = [1-10]. In order to exclude the effect of multi-body interactions, the trajectories of single freely moving particles are calculated thanks to numerical simulations based on the force coupling method. With the deployed numerical tool, the complete particle trajectories are accessible within a reasonable computational time only in the inertial regime (Re > 10). In this regime, we show that (i) the particle undergoes cross-streamline migration followed by a cross-lateral migration (parallel to the wall) in agreement with previous observations, and (ii) the stable equilibrium positions are located at the midline of the channel faces while the diagonal equilibrium positions are unstable. At low flow inertia, the first instants of the numerical simulations (carried at Re = O(1)) reveal that the cross-streamline migration of a single particle is oriented towards the channel wall, suggesting that the particle preferential positions around the channel center, observed in the experiments, are rather due to multi-body interactions.« less

One-dimensional "atom" with zero-range potential perturbed by finite sequence of zero-duration laser pulses

NASA Astrophysics Data System (ADS)

Gusev, A. A.; Chuluunbaatar, O.; Popov, Yu. V.; Vinitsky, S. I.; Derbov, V. L.; Lovetskiy, K. P.

2018-04-01

The exactly soluble model of a train of zero-duration electromagnetic pulses interacting with a 1D atom with short-range interaction potential modelled by a δ-function is considered. The model is related to the up-to-date laser techniques providing the duration of pulses as short as a few attoseconds and the intensities higher than 1014 W/cm2.

Fermi-edge exciton-polaritons in doped semiconductor microcavities with finite hole mass

NASA Astrophysics Data System (ADS)

Pimenov, Dimitri; von Delft, Jan; Glazman, Leonid; Goldstein, Moshe

2017-10-01

The coupling between a 2D semiconductor quantum well and an optical cavity gives rise to combined light-matter excitations, the exciton-polaritons. These were usually measured when the conduction band is empty, making the single polariton physics a simple single-body problem. The situation is dramatically different in the presence of a finite conduction-band population, where the creation or annihilation of a single exciton involves a many-body shakeup of the Fermi sea. Recent experiments in this regime revealed a strong modification of the exciton-polariton spectrum. Previous theoretical studies concerned with nonzero Fermi energy mostly relied on the approximation of an immobile valence-band hole with infinite mass, which is appropriate for low-mobility samples only; for high-mobility samples, one needs to consider a mobile hole with large but finite mass. To bridge this gap, we present an analytical diagrammatic approach and tackle a model with short-ranged (screened) electron-hole interaction, studying it in two complementary regimes. We find that the finite hole mass has opposite effects on the exciton-polariton spectra in the two regimes: in the first, where the Fermi energy is much smaller than the exciton binding energy, excitonic features are enhanced by the finite mass. In the second regime, where the Fermi energy is much larger than the exciton binding energy, finite mass effects cut off the excitonic features in the polariton spectra, in qualitative agreement with recent experiments.

Tollmien-Schlichting/vortex interactions in compressible boundary layer flows

NASA Technical Reports Server (NTRS)

Blackaby, Nicholas D.

1993-01-01

The weakly nonlinear interaction of oblique Tollmien-Schlichting waves and longitudinal vortices in compressible, high Reynolds number, boundary-layer flow over a flat plate is considered for all ranges of the Mach number. The interaction equations comprise of equations for the vortex which is indirectly forced by the waves via a boundary condition, whereas a vortex term appears in the amplitude equation for the wave pressure. The downstream solution properties of interaction equations are found to depend on the sign of an interaction coefficient. Compressibility is found to have a significant effect on the interaction properties; principally through its impact on the waves and their governing mechanism, the triple-deck structure. It is found that, in general, the flow quantities will grow slowly with increasing downstream co-ordinate; i.e. in general, solutions do not terminate in abrupt, finite-distance 'break-ups'.

A Large Scale Dynamical System Immune Network Modelwith Finite Connectivity

NASA Astrophysics Data System (ADS)

Uezu, T.; Kadono, C.; Hatchett, J.; Coolen, A. C. C.

We study a model of an idiotypic immune network which was introduced by N. K. Jerne. It is known that in immune systems there generally exist several kinds of immune cells which can recognize any particular antigen. Taking this fact into account and assuming that each cell interacts with only a finite number of other cells, we analyze a large scale immune network via both numerical simulations and statistical mechanical methods, and show that the distribution of the concentrations of antibodies becomes non-trivial for a range of values of the strength of the interaction and the connectivity.

Electronic correlation effects and the Coulomb gap at finite temperature.

PubMed

Sandow, B; Gloos, K; Rentzsch, R; Ionov, A N; Schirmacher, W

2001-02-26

We have investigated the effect of the long-range Coulomb interaction on the one-particle excitation spectrum of n-type germanium, using tunneling spectroscopy on mechanically controllable break junctions. At low temperatures, the tunnel conductance shows a minimum at zero bias voltage due to the Coulomb gap. Above 1 K, the gap is filled by thermal excitations. This behavior is reflected in the variable-range hopping resistivity measured on the same samples: up to a few degrees Kelvin the Efros-Shklovskii lnR infinity T(-1/2) law is obeyed, whereas at higher temperatures deviations from this law occur. The type of crossover differs from that considered previously in the literature.

Emergent interparticle interactions in thermal amorphous solids

NASA Astrophysics Data System (ADS)

Gendelman, Oleg; Lerner, Edan; Pollack, Yoav G.; Procaccia, Itamar; Rainone, Corrado; Riechers, Birte

2016-11-01

Amorphous media at finite temperatures, be them liquids, colloids, or glasses, are made of interacting particles that move chaotically due to thermal energy, continuously colliding and scattering off each other. When the average configuration in these systems relaxes only at long times, one can introduce effective interactions that keep the mean positions in mechanical equilibrium. We introduce a framework to determine the effective force laws that define an effective Hessian that can be employed to discuss stability properties and the density of states of the amorphous system. We exemplify the approach with a thermal glass of hard spheres; these experience zero forces when not in contact and infinite forces when they touch. Close to jamming we recapture the effective interactions that at temperature T depend on the gap h between spheres as T /h [C. Brito and M. Wyart, Europhys. Lett. 76, 149 (2006), 10.1209/epl/i2006-10238-x]. For hard spheres at lower densities or for systems whose binary bare interactions are longer ranged (at any density), the emergent force laws include ternary, quaternary, and generally higher-order many-body terms, leading to a temperature-dependent effective Hessian.

Intra- and inter-shell Kondo effects in carbon nanotube quantum dots

NASA Astrophysics Data System (ADS)

Krychowski, Damian; Lipiński, Stanisław

2018-01-01

The linear response transport properties of carbon nanotube quantum dot in the strongly correlated regime are discussed. The finite-U mean field slave boson approach is used to study many-body effects. Magnetic field can rebuilt Kondo correlations, which are destroyed by the effect of spin-orbit interaction or valley mixing. Apart from the field induced revivals of SU(2) Kondo effects of different types: spin, valley or spin-valley, also more exotic phenomena appear, such as SU(3) Kondo effect. Threefold degeneracy occurs due to the effective intervalley exchange induced by short-range part of Coulomb interaction or due to the intershell mixing. In narrow gap nanotubes the full spin-orbital degeneracy might be recovered in the absence of magnetic field opening the condition for a formation of SU(4) Kondo resonance.

Numerical analysis for finite-range multitype stochastic contact financial market dynamic systems

NASA Astrophysics Data System (ADS)

Yang, Ge; Wang, Jun; Fang, Wen

2015-04-01

In an attempt to reproduce and study the dynamics of financial markets, a random agent-based financial price model is developed and investigated by the finite-range multitype contact dynamic system, in which the interaction and dispersal of different types of investment attitudes in a stock market are imitated by viruses spreading. With different parameters of birth rates and finite-range, the normalized return series are simulated by Monte Carlo simulation method and numerical studied by power-law distribution analysis and autocorrelation analysis. To better understand the nonlinear dynamics of the return series, a q-order autocorrelation function and a multi-autocorrelation function are also defined in this work. The comparisons of statistical behaviors of return series from the agent-based model and the daily historical market returns of Shanghai Composite Index and Shenzhen Component Index indicate that the proposed model is a reasonable qualitative explanation for the price formation process of stock market systems.

Bose-Einstein condensation in chains with power-law hoppings: Exact mapping on the critical behavior in d-dimensional regular lattices.

PubMed

Dias, W S; Bertrand, D; Lyra, M L

2017-06-01

Recent experimental progress on the realization of quantum systems with highly controllable long-range interactions has impelled the study of quantum phase transitions in low-dimensional systems with power-law couplings. Long-range couplings mimic higher-dimensional effects in several physical contexts. Here, we provide the exact relation between the spectral dimension d at the band bottom and the exponent α that tunes the range of power-law hoppings of a one-dimensional ideal lattice Bose gas. We also develop a finite-size scaling analysis to obtain some relevant critical exponents and the critical temperature of the BEC transition. In particular, an irrelevant dangerous scaling field has to be taken into account when the hopping range is sufficiently large to make the effective dimensionality d>4.

Bose-Einstein condensation in chains with power-law hoppings: Exact mapping on the critical behavior in d -dimensional regular lattices

NASA Astrophysics Data System (ADS)

Dias, W. S.; Bertrand, D.; Lyra, M. L.

2017-06-01

Recent experimental progress on the realization of quantum systems with highly controllable long-range interactions has impelled the study of quantum phase transitions in low-dimensional systems with power-law couplings. Long-range couplings mimic higher-dimensional effects in several physical contexts. Here, we provide the exact relation between the spectral dimension d at the band bottom and the exponent α that tunes the range of power-law hoppings of a one-dimensional ideal lattice Bose gas. We also develop a finite-size scaling analysis to obtain some relevant critical exponents and the critical temperature of the BEC transition. In particular, an irrelevant dangerous scaling field has to be taken into account when the hopping range is sufficiently large to make the effective dimensionality d >4 .

Impact of long-range interactions on the disordered vortex lattice

NASA Astrophysics Data System (ADS)

Koopmann, J. A.; Geshkenbein, V. B.; Blatter, G.

2003-07-01

The interaction between the vortex lines in a type-II superconductor is mediated by currents. In the absence of transverse screening this interaction is long ranged, stiffening up the vortex lattice as expressed by the dispersive elastic moduli. The effect of disorder is strongly reduced, resulting in a mean-squared displacement correlator ≡<[u(R,L)-u(0,0)]2> characterized by a mere logarithmic growth with distance. Finite screening cuts the interaction on the scale of the London penetration depth λ and limits the above behavior to distances R<λ. Using a functional renormalization-group approach, we derive the flow equation for the disorder correlation function and calculate the disorder-averaged mean-squared relative displacement ∝ ln2σ(R/a0). The logarithmic growth (2σ=1) in the perturbative regime at small distances [A. I. Larkin and Yu. N. Ovchinnikov, J. Low Temp. Phys. 34, 409 (1979)] crosses over to a sub-logarithmic growth with 2σ=0.348 at large distances.

Measured long-range repulsive Casimir-Lifshitz forces.

PubMed

Munday, J N; Capasso, Federico; Parsegian, V Adrian

2009-01-08

Quantum fluctuations create intermolecular forces that pervade macroscopic bodies. At molecular separations of a few nanometres or less, these interactions are the familiar van der Waals forces. However, as recognized in the theories of Casimir, Polder and Lifshitz, at larger distances and between macroscopic condensed media they reveal retardation effects associated with the finite speed of light. Although these long-range forces exist within all matter, only attractive interactions have so far been measured between material bodies. Here we show experimentally that, in accord with theoretical prediction, the sign of the force can be changed from attractive to repulsive by suitable choice of interacting materials immersed in a fluid. The measured repulsive interaction is found to be weaker than the attractive. However, in both cases the magnitude of the force increases with decreasing surface separation. Repulsive Casimir-Lifshitz forces could allow quantum levitation of objects in a fluid and lead to a new class of switchable nanoscale devices with ultra-low static friction.

Probalistic Finite Elements (PFEM) structural dynamics and fracture mechanics

NASA Technical Reports Server (NTRS)

Liu, Wing-Kam; Belytschko, Ted; Mani, A.; Besterfield, G.

1989-01-01

The purpose of this work is to develop computationally efficient methodologies for assessing the effects of randomness in loads, material properties, and other aspects of a problem by a finite element analysis. The resulting group of methods is called probabilistic finite elements (PFEM). The overall objective of this work is to develop methodologies whereby the lifetime of a component can be predicted, accounting for the variability in the material and geometry of the component, the loads, and other aspects of the environment; and the range of response expected in a particular scenario can be presented to the analyst in addition to the response itself. Emphasis has been placed on methods which are not statistical in character; that is, they do not involve Monte Carlo simulations. The reason for this choice of direction is that Monte Carlo simulations of complex nonlinear response require a tremendous amount of computation. The focus of efforts so far has been on nonlinear structural dynamics. However, in the continuation of this project, emphasis will be shifted to probabilistic fracture mechanics so that the effect of randomness in crack geometry and material properties can be studied interactively with the effect of random load and environment.

Localization in a random XY model with long-range interactions: Intermediate case between single-particle and many-body problems

NASA Astrophysics Data System (ADS)

Burin, Alexander L.

2015-09-01

Many-body localization in an XY model with a long-range interaction is investigated. We show that in the regime of a high strength of disordering compared to the interaction an off-resonant flip-flop spin-spin interaction (hopping) generates the effective Ising interactions of spins in the third order of perturbation theory in a hopping. The combination of hopping and induced Ising interactions for the power-law distance dependent hopping V (R ) ∝R-α always leads to the localization breakdown in a thermodynamic limit of an infinite system at α <3 d /2 where d is a system dimension. The delocalization takes place due to the induced Ising interactions U (R ) ∝R-2 α of "extended" resonant pairs. This prediction is consistent with the numerical finite size scaling in one-dimensional systems. Many-body localization in an XY model is more stable with respect to the long-range interaction compared to a many-body problem with similar Ising and Heisenberg interactions requiring α ≥2 d which makes the practical implementations of this model more attractive for quantum information applications. The full summary of dimension constraints and localization threshold size dependencies for many-body localization in the case of combined Ising and hopping interactions is obtained using this and previous work and it is the subject for the future experimental verification using cold atomic systems.

Effect of quantum correction on nonlinear thermal wave of electrons driven by laser heating

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

Nafari, F.; Ghoranneviss, M., E-mail: ghoranneviss@gmail.com

2016-08-15

In thermal interaction of laser pulse with a deuterium-tritium (DT) plane, the thermal waves of electrons are generated instantly. Since the thermal conductivity of electron is a nonlinear function of temperature, a nonlinear heat conduction equation is used to investigate the propagation of waves in solid DT. This paper presents a self-similar analytic solution for the nonlinear heat conduction equation in a planar geometry. The thickness of the target material is finite in numerical computation, and it is assumed that the laser energy is deposited at a finite initial thickness at the initial time which results in a finite temperaturemore » for electrons at initial time. Since the required temperature range for solid DT ignition is higher than the critical temperature which equals 35.9 eV, the effects of quantum correction in thermal conductivity should be considered. This letter investigates the effects of quantum correction on characteristic features of nonlinear thermal wave, including temperature, penetration depth, velocity, heat flux, and heating and cooling domains. Although this effect increases electron temperature and thermal flux, penetration depth and propagation velocity are smaller. This effect is also applied to re-evaluate the side-on laser ignition of uncompressed DT.« less

Microscopically based energy density functionals for nuclei using the density matrix expansion: Implementation and pre-optimization

NASA Astrophysics Data System (ADS)

Stoitsov, M.; Kortelainen, M.; Bogner, S. K.; Duguet, T.; Furnstahl, R. J.; Gebremariam, B.; Schunck, N.

2010-11-01

In a recent series of articles, Gebremariam, Bogner, and Duguet derived a microscopically based nuclear energy density functional by applying the density matrix expansion (DME) to the Hartree-Fock energy obtained from chiral effective field theory two- and three-nucleon interactions. Owing to the structure of the chiral interactions, each coupling in the DME functional is given as the sum of a coupling constant arising from zero-range contact interactions and a coupling function of the density arising from the finite-range pion exchanges. Because the contact contributions have essentially the same structure as those entering empirical Skyrme functionals, a microscopically guided Skyrme phenomenology has been suggested in which the contact terms in the DME functional are released for optimization to finite-density observables to capture short-range correlation energy contributions from beyond Hartree-Fock. The present article is the first attempt to assess the ability of the newly suggested DME functional, which has a much richer set of density dependencies than traditional Skyrme functionals, to generate sensible and stable results for nuclear applications. The results of the first proof-of-principle calculations are given, and numerous practical issues related to the implementation of the new functional in existing Skyrme codes are discussed. Using a restricted singular value decomposition optimization procedure, it is found that the new DME functional gives numerically stable results and exhibits a small but systematic reduction of our test χ2 function compared to standard Skyrme functionals, thus justifying its suitability for future global optimizations and large-scale calculations.

Boosted one dimensional fermionic superfluids on a lattice

NASA Astrophysics Data System (ADS)

Ray, Sayonee; Mukerjee, Subroto; Shenoy, Vijay B.

2017-09-01

We study the effect of a boost (Fermi sea displaced by a finite momentum) on one dimensional systems of lattice fermions with short-ranged interactions. In the absence of a boost such systems with attractive interactions possess algebraic superconducting order. Motivated by physics in higher dimensions, one might naively expect a boost to weaken and ultimately destroy superconductivity. However, we show that for one dimensional systems the effect of the boost can be to strengthen the algebraic superconducting order by making correlation functions fall off more slowly with distance. This phenomenon can manifest in interesting ways, for example, a boost can produce a Luther-Emery phase in a system with both charge and spin gaps by engendering the destruction of the former.

Contact interaction in an unitary ultracold Fermi gas

DOE PAGES

Pessoa, Renato; Gandolfi, Stefano; Vitiello, S. A.; ...

2015-12-16

An ultracold Fermi atomic gas at unitarity presents universal properties that in the dilute limit can be well described by a contact interaction. By employing a guiding function with correct boundary conditions and making simple modifications to the sampling procedure we are able to calculate the properties of a true contact interaction with the diffusion Monte Carlo method. The results are obtained with small variances. Our calculations for the Bertsch and contact parameters are in excellent agreement with published experiments. The possibility of using a more faithful description of ultracold atomic gases can help uncover additional features of ultracold atomicmore » gases. In addition, this work paves the way to perform quantum Monte Carlo calculations for other systems interacting with contact interactions, where the description using potentials with finite effective range might not be accurate.« less

Electron interactions in graphene through an effective Coulomb potential

NASA Astrophysics Data System (ADS)

Rodrigues, Joao N. B.; Adam, Shaffique

A recent numerical work [H.-K. Tang et al, PRL 115, 186602 (2015)] considering graphene's π-electrons interacting through an effective Coulomb potential that is finite at short-distances, stressed the importance of the sp2 -electrons in determining the semimetal to Mott insulator phase transition in graphene. Some years ago, I. F. Herbut [PRL 97, 146401 (2006)] studied such a transition by mapping graphene's π-electrons into a Gross-Neveu model. From a different perspective, D. T. Son [PRB 75, 235423 (2007)] put the emphasis on the long-range interactions by modelling graphene as Dirac fermions interacting through a bare Coulomb potential. Here we build on these works and explore the phase diagram of Dirac fermions interacting through an effective Coulomb-like potential screened at short-distances. The interaction potential used allows for analytic results that controllably switch between the two perspectives above. This work was supported by the Singapore National Research Foundation (NRF-NRFF2012-01 and CA2DM medium-sized centre program) and by the Singapore Ministry of Education and Yale-NUS College (R-607-265-01312).

Parallel O(N) Stokes’ solver towards scalable Brownian dynamics of hydrodynamically interacting objects in general geometries

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

Zhao, Xujun; Li, Jiyuan; Jiang, Xikai

An efficient parallel Stokes’s solver is developed towards the complete inclusion of hydrodynamic interactions of Brownian particles in any geometry. A Langevin description of the particle dynamics is adopted, where the long-range interactions are included using a Green’s function formalism. We present a scalable parallel computational approach, where the general geometry Stokeslet is calculated following a matrix-free algorithm using the General geometry Ewald-like method. Our approach employs a highly-efficient iterative finite element Stokes’ solver for the accurate treatment of long-range hydrodynamic interactions within arbitrary confined geometries. A combination of mid-point time integration of the Brownian stochastic differential equation, the parallelmore » Stokes’ solver, and a Chebyshev polynomial approximation for the fluctuation-dissipation theorem result in an O(N) parallel algorithm. We also illustrate the new algorithm in the context of the dynamics of confined polymer solutions in equilibrium and non-equilibrium conditions. Our method is extended to treat suspended finite size particles of arbitrary shape in any geometry using an Immersed Boundary approach.« less

Parallel O(N) Stokes’ solver towards scalable Brownian dynamics of hydrodynamically interacting objects in general geometries

DOE PAGES

Zhao, Xujun; Li, Jiyuan; Jiang, Xikai; ...

2017-06-29

An efficient parallel Stokes’s solver is developed towards the complete inclusion of hydrodynamic interactions of Brownian particles in any geometry. A Langevin description of the particle dynamics is adopted, where the long-range interactions are included using a Green’s function formalism. We present a scalable parallel computational approach, where the general geometry Stokeslet is calculated following a matrix-free algorithm using the General geometry Ewald-like method. Our approach employs a highly-efficient iterative finite element Stokes’ solver for the accurate treatment of long-range hydrodynamic interactions within arbitrary confined geometries. A combination of mid-point time integration of the Brownian stochastic differential equation, the parallelmore » Stokes’ solver, and a Chebyshev polynomial approximation for the fluctuation-dissipation theorem result in an O(N) parallel algorithm. We also illustrate the new algorithm in the context of the dynamics of confined polymer solutions in equilibrium and non-equilibrium conditions. Our method is extended to treat suspended finite size particles of arbitrary shape in any geometry using an Immersed Boundary approach.« less

Statistical properties and condensate fluctuation of attractive Bose gas with finite number of particles

NASA Astrophysics Data System (ADS)

Bera, Sangita; Lekala, Mantile Leslie; Chakrabarti, Barnali; Bhattacharyya, Satadal; Rampho, Gaotsiwe Joel

2017-09-01

'We study the condensate fluctuation and several statistics of weakly interacting attractive Bose gas of 7 Li atoms in harmonic trap. Using exact recursion relation we calculate canonical ensemble partition function and study the thermal evolution of the condensate. As 7 Li condensate is associated with collapse, the number of condensate atom is truly finite and it facilitates to study the condensate in mesoscopic region. Being highly correlated, we utilize the two-body correlated basis function to get the many-body effective potential which is further used to calculate the energy levels. Taking van der Waals interaction as interatomic interaction we calculate several quantities like condensate fraction N, root-mean-square fluctuation δn0 and different orders of central moments. We observe the effect of finite size on the calculation of condensate fluctuations and the effect of attractive interaction over the noninteracting limit. We observe the depletion of the condensate with increase in temperature. The calculated moments nicely exhibit the mesoscopic effect. The sharp fall in the root-mean-square fluctuation near the critical point signifies the possibility of phase transition.

Including Finite Surface Span Effects in Empirical Jet-Surface Interaction Noise Models

NASA Technical Reports Server (NTRS)

Brown, Clifford A.

2016-01-01

The effect of finite span on the jet-surface interaction noise source and the jet mixing noise shielding and reflection effects is considered using recently acquired experimental data. First, the experimental setup and resulting data are presented with particular attention to the role of surface span on far-field noise. These effects are then included in existing empirical models that have previously assumed that all surfaces are semi-infinite. This extended abstract briefly describes the experimental setup and data leaving the empirical modeling aspects for the final paper.

Paramecium swimming in capillary tube

NASA Astrophysics Data System (ADS)

Jana, Saikat; Um, Soong Ho; Jung, Sunghwan

2012-04-01

Swimming organisms in their natural habitat need to navigate through a wide range of geometries and chemical environments. Interaction with boundaries in such situations is ubiquitous and can significantly modify the swimming characteristics of the organism when compared to ideal laboratory conditions. We study the different patterns of ciliary locomotion in glass capillaries of varying diameter and characterize the effect of the solid boundaries on the velocities of the organism. Experimental observations show that Paramecium executes helical trajectories that slowly transition to straight lines as the diameter of the capillary tubes decreases. We predict the swimming velocity in capillaries by modeling the system as a confined cylinder propagating longitudinal metachronal waves that create a finite pressure gradient. Comparing with experiments, we find that such pressure gradient considerations are necessary for modeling finite sized ciliary organisms in restrictive geometries.

Nonlinear Electromagnetic Stabilization of Plasma Microturbulence

NASA Astrophysics Data System (ADS)

Whelan, G. G.; Pueschel, M. J.; Terry, P. W.

2018-04-01

The physical causes for the strong stabilizing effect of finite plasma β on ion-temperature-gradient-driven turbulence, which far exceeds quasilinear estimates, are identified from nonlinear gyrokinetic simulations. The primary contribution stems from a resonance of frequencies in the dominant nonlinear interaction between the unstable mode, the stable mode, and zonal flows, which maximizes the triplet correlation time and therefore the energy transfer efficiency. A modification to mixing-length transport estimates is constructed, which reproduces nonlinear heat fluxes throughout the examined β range.

Spectral function of few electrons in quantum wires and carbon nanotubes as a signature of Wigner localization

NASA Astrophysics Data System (ADS)

Secchi, Andrea; Rontani, Massimo

2012-03-01

We demonstrate that the profile of the space-resolved spectral function at finite temperature provides a signature of Wigner localization for electrons in quantum wires and semiconducting carbon nanotubes. Our numerical evidence is based on the exact diagonalization of the microscopic Hamiltonian of few particles interacting in gate-defined quantum dots. The minimal temperature required to suppress residual exchange effects in the spectral function image of (nanotubes) quantum wires lies in the (sub)kelvin range.

Quantum Landau damping in dipolar Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Mendonça, J. T.; Terças, H.; Gammal, A.

2018-06-01

We consider Landau damping of elementary excitations in Bose-Einstein condensates (BECs) with dipolar interactions. We discuss quantum and quasiclassical regimes of Landau damping. We use a generalized wave-kinetic description of BECs which, apart from the long-range dipolar interactions, also takes into account the quantum fluctuations and the finite-energy corrections to short-range interactions. Such a description is therefore more general than the usual mean-field approximation. The present wave-kinetic approach is well suited for the study of kinetic effects in BECs, such as those associated with Landau damping, atom trapping, and turbulent diffusion. The inclusion of quantum fluctuations and energy corrections changes the dispersion relation and the damping rates, leading to possible experimental signatures of these effects. Quantum Landau damping is described with generality, and particular examples of dipolar condensates in two and three dimensions are studied. The occurrence of roton-maxon excitations, and their relevance to Landau damping, are also considered in detail. The present approach is mainly based on a linear perturbative procedure, but the nonlinear regime of Landau damping, which includes atom trapping and atom diffusion, is also briefly discussed.

Improved Design of Tunnel Supports : Executive Summary

DOT National Transportation Integrated Search

1979-12-01

This report focuses on improvement of design methodologies related to the ground-structure interaction in tunneling. The design methods range from simple analytical and empirical methods to sophisticated finite element techniques as well as an evalua...

New approach of financial volatility duration dynamics by stochastic finite-range interacting voter system.

PubMed

Wang, Guochao; Wang, Jun

2017-01-01

We make an approach on investigating the fluctuation behaviors of financial volatility duration dynamics. A new concept of volatility two-component range intensity (VTRI) is developed, which constitutes the maximal variation range of volatility intensity and shortest passage time of duration, and can quantify the investment risk in financial markets. In an attempt to study and describe the nonlinear complex properties of VTRI, a random agent-based financial price model is developed by the finite-range interacting biased voter system. The autocorrelation behaviors and the power-law scaling behaviors of return time series and VTRI series are investigated. Then, the complexity of VTRI series of the real markets and the proposed model is analyzed by Fuzzy entropy (FuzzyEn) and Lempel-Ziv complexity. In this process, we apply the cross-Fuzzy entropy (C-FuzzyEn) to study the asynchrony of pairs of VTRI series. The empirical results reveal that the proposed model has the similar complex behaviors with the actual markets and indicate that the proposed stock VTRI series analysis and the financial model are meaningful and feasible to some extent.

New approach of financial volatility duration dynamics by stochastic finite-range interacting voter system

NASA Astrophysics Data System (ADS)

Wang, Guochao; Wang, Jun

2017-01-01

We make an approach on investigating the fluctuation behaviors of financial volatility duration dynamics. A new concept of volatility two-component range intensity (VTRI) is developed, which constitutes the maximal variation range of volatility intensity and shortest passage time of duration, and can quantify the investment risk in financial markets. In an attempt to study and describe the nonlinear complex properties of VTRI, a random agent-based financial price model is developed by the finite-range interacting biased voter system. The autocorrelation behaviors and the power-law scaling behaviors of return time series and VTRI series are investigated. Then, the complexity of VTRI series of the real markets and the proposed model is analyzed by Fuzzy entropy (FuzzyEn) and Lempel-Ziv complexity. In this process, we apply the cross-Fuzzy entropy (C-FuzzyEn) to study the asynchrony of pairs of VTRI series. The empirical results reveal that the proposed model has the similar complex behaviors with the actual markets and indicate that the proposed stock VTRI series analysis and the financial model are meaningful and feasible to some extent.

Liquid core photonic crystal fiber with low-refractive-index liquids for optofluidic applications.

PubMed

Park, Jiyoung; Kang, Doo-Eui; Paulson, Bjorn; Nazari, Tavakol; Oh, Kyunghwan

2014-07-14

A defectless hexagonal air-silica photonic crystal fiber (PCF) structure with its central hole selectively filled by a low-refractive-index liquid is numerically analyzed. Despite the fact that the refractive index of the liquid is significantly lower than that of silica, we found an optimal range of waveguide parameters to ensure light guidance through the liquid core in the fundamental mode, maximizing the light-liquid interaction over a desired wavelength range. Using the vectorial finite element method (FEM), we report detailed parametric studies in terms of the effective index, chromatic dispersion, optical loss, and modal intensity distribution of the liquid core PCFs.

Simulations of wave propagation and disorder in 3D non-close-packed colloidal photonic crystals with low refractive index contrast.

PubMed

Glushko, O; Meisels, R; Kuchar, F

2010-03-29

The plane-wave expansion method (PWEM), the multiple-scattering method (MSM) and the 3D finite-difference time-domain method (FDTD) are applied for simulations of propagation of electromagnetic waves through 3D colloidal photonic crystals. The system investigated is not a "usual" artificial opal with close-packed fcc lattice but a dilute bcc structure which occurs due to long-range repulsive interaction between electrically charged colloidal particles during the growth process. The basic optical properties of non-close-packed colloidal PhCs are explored by examining the band structure and reflection spectra for a bcc lattice of silica spheres in an aqueous medium. Finite size effects and correspondence between the Bragg model, band structure and reflection spectra are discussed. The effects of size, positional and missing-spheres disorder are investigated. In addition, by analyzing the results of experimental work we show that the fabricated structures have reduced plane-to-plane distance probably due to the effect of gravity during growth.

Use of Two-Body Correlated Basis Functions with van der Waals Interaction to Study the Shape-Independent Approximation for a Large Number of Trapped Interacting Bosons

NASA Astrophysics Data System (ADS)

Lekala, M. L.; Chakrabarti, B.; Das, T. K.; Rampho, G. J.; Sofianos, S. A.; Adam, R. M.; Haldar, S. K.

2017-05-01

We study the ground-state and the low-lying excitations of a trapped Bose gas in an isotropic harmonic potential for very small (˜ 3) to very large (˜ 10^7) particle numbers. We use the two-body correlated basis functions and the shape-dependent van der Waals interaction in our many-body calculations. We present an exhaustive study of the effect of inter-atomic correlations and the accuracy of the mean-field equations considering a wide range of particle numbers. We calculate the ground-state energy and the one-body density for different values of the van der Waals parameter C6. We compare our results with those of the modified Gross-Pitaevskii results, the correlated Hartree hypernetted-chain equations (which also utilize the two-body correlated basis functions), as well as of the diffusion Monte Carlo for hard sphere interactions. We observe the effect of the attractive tail of the van der Waals potential in the calculations of the one-body density over the truly repulsive zero-range potential as used in the Gross-Pitaevskii equation and discuss the finite-size effects. We also present the low-lying collective excitations which are well described by a hydrodynamic model in the large particle limit.

Many-body localization in a long range XXZ model with random-field

NASA Astrophysics Data System (ADS)

Li, Bo

2016-12-01

Many-body localization (MBL) in a long range interaction XXZ model with random field are investigated. Using the exact diagonal method, the MBL phase diagram with different tuning parameters and interaction range is obtained. It is found that the phase diagram of finite size results supplies strong evidence to confirm that the threshold interaction exponent α = 2. The tuning parameter Δ can efficiently change the MBL edge in high energy density stats, thus the system can be controlled to transfer from thermal phase to MBL phase by changing Δ. The energy level statistics data are consistent with result of the MBL phase diagram. However energy level statistics data cannot detect the thermal phase correctly in extreme long range case.

Atomic physics constraints on the X boson

NASA Astrophysics Data System (ADS)

Jentschura, Ulrich D.; Nándori, István

2018-04-01

Recently, a peak in the light fermion pair spectrum at invariant q2≈(16.7MeV ) 2 has been observed in the bombardment of 7Li by protons. This peak has been interpreted in terms of a protophobic interaction of fermions with a gauge boson (X boson) of invariant mass ≈16.7 MeV which couples mainly to neutrons. High-precision atomic physics experiments aimed at observing the protophobic interaction need to separate the X boson effect from the nuclear-size effect, which is a problem because of the short range of the interaction (11.8 fm), which is commensurate with a "nuclear halo." Here we analyze the X boson in terms of its consequences for both electronic atoms as well as muonic hydrogen and deuterium. We find that the most promising atomic systems where the X boson has an appreciable effect, distinguishable from a finite-nuclear-size effect, are muonic atoms of low and intermediate nuclear charge numbers.

First-order metal-insulator transitions in the extended Hubbard model due to self-consistent screening of the effective interaction

NASA Astrophysics Data System (ADS)

Schüler, M.; van Loon, E. G. C. P.; Katsnelson, M. I.; Wehling, T. O.

2018-04-01

While the Hubbard model is the standard model to study Mott metal-insulator transitions, it is still unclear to what extent it can describe metal-insulator transitions in real solids, where nonlocal Coulomb interactions are always present. By using a variational principle, we clarify this issue for short- and long-range nonlocal Coulomb interactions for half-filled systems on bipartite lattices. We find that repulsive nonlocal interactions generally stabilize the Fermi-liquid regime. The metal-insulator phase boundary is shifted to larger interaction strengths to leading order linearly with nonlocal interactions. Importantly, nonlocal interactions can raise the order of the metal-insulator transition. We present a detailed analysis of how the dimension and geometry of the lattice as well as the temperature determine the critical nonlocal interaction leading to a first-order transition: for systems in more than two dimensions with nonzero density of states at the Fermi energy the critical nonlocal interaction is arbitrarily small; otherwise, it is finite.

Complexity multiscale asynchrony measure and behavior for interacting financial dynamics

NASA Astrophysics Data System (ADS)

Yang, Ge; Wang, Jun; Niu, Hongli

2016-08-01

A stochastic financial price process is proposed and investigated by the finite-range multitype contact dynamical system, in an attempt to study the nonlinear behaviors of real asset markets. The viruses spreading process in a finite-range multitype system is used to imitate the interacting behaviors of diverse investment attitudes in a financial market, and the empirical research on descriptive statistics and autocorrelation behaviors of return time series is performed for different values of propagation rates. Then the multiscale entropy analysis is adopted to study several different shuffled return series, including the original return series, the corresponding reversal series, the random shuffled series, the volatility shuffled series and the Zipf-type shuffled series. Furthermore, we propose and compare the multiscale cross-sample entropy and its modification algorithm called composite multiscale cross-sample entropy. We apply them to study the asynchrony of pairs of time series under different time scales.

Numerical analysis for finite-range multitype stochastic contact financial market dynamic systems

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

Yang, Ge; Wang, Jun; Fang, Wen, E-mail: fangwen@bjtu.edu.cn

In an attempt to reproduce and study the dynamics of financial markets, a random agent-based financial price model is developed and investigated by the finite-range multitype contact dynamic system, in which the interaction and dispersal of different types of investment attitudes in a stock market are imitated by viruses spreading. With different parameters of birth rates and finite-range, the normalized return series are simulated by Monte Carlo simulation method and numerical studied by power-law distribution analysis and autocorrelation analysis. To better understand the nonlinear dynamics of the return series, a q-order autocorrelation function and a multi-autocorrelation function are also definedmore » in this work. The comparisons of statistical behaviors of return series from the agent-based model and the daily historical market returns of Shanghai Composite Index and Shenzhen Component Index indicate that the proposed model is a reasonable qualitative explanation for the price formation process of stock market systems.« less

Two-particle multichannel systems in a finite volume with arbitrary spin

DOE PAGES

Briceno, Raul A.

2014-04-08

The quantization condition for two-particle systems with arbitrary number of two-body open coupled channels, spin and masses in a finite cubic volume with either periodic or twisted boundary conditions is presented. The condition presented is in agreement with all previous studies of two-body systems in a finite volume. The result is relativistic, holds for all momenta below the three- and four-particle thresholds, and is exact up to exponential volume corrections that are governed by L/r, where L is the spatial extent of the volume and r is the range of the interactions between the particles. With hadronic systems the rangemore » of the interaction is set by the inverse of the pion mass, m π, and as a result the formalism presented is suitable for m πL>>1. Implications of the formalism for the studies of multichannel baryon-baryon systems are discussed.« less

Computationally Efficient Multiconfigurational Reactive Molecular Dynamics

PubMed Central

Yamashita, Takefumi; Peng, Yuxing; Knight, Chris; Voth, Gregory A.

2012-01-01

It is a computationally demanding task to explicitly simulate the electronic degrees of freedom in a system to observe the chemical transformations of interest, while at the same time sampling the time and length scales required to converge statistical properties and thus reduce artifacts due to initial conditions, finite-size effects, and limited sampling. One solution that significantly reduces the computational expense consists of molecular models in which effective interactions between particles govern the dynamics of the system. If the interaction potentials in these models are developed to reproduce calculated properties from electronic structure calculations and/or ab initio molecular dynamics simulations, then one can calculate accurate properties at a fraction of the computational cost. Multiconfigurational algorithms model the system as a linear combination of several chemical bonding topologies to simulate chemical reactions, also sometimes referred to as “multistate”. These algorithms typically utilize energy and force calculations already found in popular molecular dynamics software packages, thus facilitating their implementation without significant changes to the structure of the code. However, the evaluation of energies and forces for several bonding topologies per simulation step can lead to poor computational efficiency if redundancy is not efficiently removed, particularly with respect to the calculation of long-ranged Coulombic interactions. This paper presents accurate approximations (effective long-range interaction and resulting hybrid methods) and multiple-program parallelization strategies for the efficient calculation of electrostatic interactions in reactive molecular simulations. PMID:25100924

Three-nucleon force contribution in the distorted-wave theory of (d ,p ) reactions

NASA Astrophysics Data System (ADS)

Timofeyuk, N. K.

2018-05-01

The distorted-wave theory of A (d ,p )B reactions, widely used to analyze experimental data, is based on a Hamiltonian that includes only two-nucleon interactions. However, numerous studies of few-nucleon systems and many modern developments in nuclear structure theory show the importance of the three-nucleon (3 N ) force. The purpose of this paper is to study the contribution of the 3 N force of the simplest possible form to the A (d ,p )B reaction amplitude. This contribution is given by a new term that accounts for the interaction of the neutron and proton in the incoming deuteron with one of the target nucleons. This term involves a new type of nuclear matrix elements containing an infinite number of target excitations in addition to the main part associated with the traditional overlap function between A and B . The nuclear matrix elements are calculated for double-closed shell targets within a mean field theory where target excitations are shown to be equivalent to exchanges between valence and core nucleons. These matrix elements can be readily incorporated into available reaction codes if the 3 N interaction has a spin-independent zero-range form. Distorted-wave calculations are presented for a contact 3 N force with the volume integral fixed by the chiral effective field theory at the next-to-next-to-leading order. For this particular choice, the 3 N contribution is noticeable, especially at high deuteron incident energies. No 3 N effects are seen for incident energies below the Coulomb barrier. The finite range can significantly affect the 3 N contribution to the (d ,p ) cross sections. Finite-range studies require new formal developments and, therefore, their contribution is preliminarily assessed within the plane-wave Born approximation, together with sensitivity to the choice of the deuteron model.

Truncated Calogero-Sutherland models

NASA Astrophysics Data System (ADS)

Pittman, S. M.; Beau, M.; Olshanii, M.; del Campo, A.

2017-05-01

A one-dimensional quantum many-body system consisting of particles confined in a harmonic potential and subject to finite-range two-body and three-body inverse-square interactions is introduced. The range of the interactions is set by truncation beyond a number of neighbors and can be tuned to interpolate between the Calogero-Sutherland model and a system with nearest and next-nearest neighbors interactions discussed by Jain and Khare. The model also includes the Tonks-Girardeau gas describing impenetrable bosons as well as an extension with truncated interactions. While the ground state wave function takes a truncated Bijl-Jastrow form, collective modes of the system are found in terms of multivariable symmetric polynomials. We numerically compute the density profile, one-body reduced density matrix, and momentum distribution of the ground state as a function of the range r and the interaction strength.

Interfacial ion solvation: Obtaining the thermodynamic limit from molecular simulations

NASA Astrophysics Data System (ADS)

Cox, Stephen J.; Geissler, Phillip L.

2018-06-01

Inferring properties of macroscopic solutions from molecular simulations is complicated by the limited size of systems that can be feasibly examined with a computer. When long-ranged electrostatic interactions are involved, the resulting finite size effects can be substantial and may attenuate very slowly with increasing system size, as shown by previous work on dilute ions in bulk aqueous solution. Here we examine corrections for such effects, with an emphasis on solvation near interfaces. Our central assumption follows the perspective of Hünenberger and McCammon [J. Chem. Phys. 110, 1856 (1999)]: Long-wavelength solvent response underlying finite size effects should be well described by reduced models like dielectric continuum theory, whose size dependence can be calculated straightforwardly. Applied to an ion in a periodic slab of liquid coexisting with vapor, this approach yields a finite size correction for solvation free energies that differs in important ways from results previously derived for bulk solution. For a model polar solvent, we show that this new correction quantitatively accounts for the variation of solvation free energy with volume and aspect ratio of the simulation cell. Correcting periodic slab results for an aqueous system requires an additional accounting for the solvent's intrinsic charge asymmetry, which shifts electric potentials in a size-dependent manner. The accuracy of these finite size corrections establishes a simple method for a posteriori extrapolation to the thermodynamic limit and also underscores the realism of dielectric continuum theory down to the nanometer scale.

Error field penetration and locking to the backward propagating wave

DOE PAGES

Finn, John M.; Cole, Andrew J.; Brennan, Dylan P.

2015-12-30

In this letter we investigate error field penetration, or locking, behavior in plasmas having stable tearing modes with finite real frequencies w r in the plasma frame. In particular, we address the fact that locking can drive a significant equilibrium flow. We show that this occurs at a velocity slightly above v = w r/k, corresponding to the interaction with a backward propagating tearing mode in the plasma frame. Results are discussed for a few typical tearing mode regimes, including a new derivation showing that the existence of real frequencies occurs for viscoresistive tearing modes, in an analysis including themore » effects of pressure gradient, curvature and parallel dynamics. The general result of locking to a finite velocity flow is applicable to a wide range of tearing mode regimes, indeed any regime where real frequencies occur.« less

Measured long-range repulsive Casimir–Lifshitz forces

PubMed Central

Munday, J. N.; Capasso, Federico; Parsegian, V. Adrian

2014-01-01

Quantum fluctuations create intermolecular forces that pervade macroscopic bodies1–3. At molecular separations of a few nanometres or less, these interactions are the familiar van der Waals forces4. However, as recognized in the theories of Casimir, Polder and Lifshitz5–7, at larger distances and between macroscopic condensed media they reveal retardation effects associated with the finite speed of light. Although these long-range forces exist within all matter, only attractive interactions have so far been measured between material bodies8–11. Here we show experimentally that, in accord with theoretical prediction12, the sign of the force can be changed from attractive to repulsive by suitable choice of interacting materials immersed in a fluid. The measured repulsive interaction is found to be weaker than the attractive. However, in both cases the magnitude of the force increases with decreasing surface separation. Repulsive Casimir–Lifshitz forces could allow quantum levitation of objects in a fluid and lead to a new class of switchable nanoscale devices with ultra-low static friction13–15. PMID:19129843

Modeling Physical Processes at the Nanoscale—Insight into Self-Organization of Small Systems (abstract)

NASA Astrophysics Data System (ADS)

Proykova, Ana

2009-04-01

Essential contributions have been made in the field of finite-size systems of ingredients interacting with potentials of various ranges. Theoretical simulations have revealed peculiar size effects on stability, ground state structure, phases, and phase transformation of systems confined in space and time. Models developed in the field of pure physics (atomic and molecular clusters) have been extended and successfully transferred to finite-size systems that seem very different—small-scale financial markets, autoimmune reactions, and social group reactions to advertisements. The models show that small-scale markets diverge unexpectedly fast as a result of small fluctuations; autoimmune reactions are sequences of two discontinuous phase transitions; and social groups possess critical behavior (social percolation) under the influence of an external field (advertisement). Some predicted size-dependent properties have been experimentally observed. These findings lead to the hypothesis that restrictions on an object's size determine the object's total internal (configuration) and external (environmental) interactions. Since phases are emergent phenomena produced by self-organization of a large number of particles, the occurrence of a phase in a system containing a small number of ingredients is remarkable.

IR characteristic simulation of city scenes based on radiosity model

NASA Astrophysics Data System (ADS)

Xiong, Xixian; Zhou, Fugen; Bai, Xiangzhi; Yu, Xiyu

2013-09-01

Reliable modeling for thermal infrared (IR) signatures of real-world city scenes is required for signature management of civil and military platforms. Traditional modeling methods generally assume that scene objects are individual entities during the physical processes occurring in infrared range. However, in reality, the physical scene involves convective and conductive interactions between objects as well as the radiations interactions between objects. A method based on radiosity model describes these complex effects. It has been developed to enable an accurate simulation for the radiance distribution of the city scenes. Firstly, the physical processes affecting the IR characteristic of city scenes were described. Secondly, heat balance equations were formed on the basis of combining the atmospheric conditions, shadow maps and the geometry of scene. Finally, finite difference method was used to calculate the kinetic temperature of object surface. A radiosity model was introduced to describe the scattering effect of radiation between surface elements in the scene. By the synthesis of objects radiance distribution in infrared range, we could obtain the IR characteristic of scene. Real infrared images and model predictions were shown and compared. The results demonstrate that this method can realistically simulate the IR characteristic of city scenes. It effectively displays the infrared shadow effects and the radiation interactions between objects in city scenes.

Development of the US3D Code for Advanced Compressible and Reacting Flow Simulations

NASA Technical Reports Server (NTRS)

Candler, Graham V.; Johnson, Heath B.; Nompelis, Ioannis; Subbareddy, Pramod K.; Drayna, Travis W.; Gidzak, Vladimyr; Barnhardt, Michael D.

2015-01-01

Aerothermodynamics and hypersonic flows involve complex multi-disciplinary physics, including finite-rate gas-phase kinetics, finite-rate internal energy relaxation, gas-surface interactions with finite-rate oxidation and sublimation, transition to turbulence, large-scale unsteadiness, shock-boundary layer interactions, fluid-structure interactions, and thermal protection system ablation and thermal response. Many of the flows have a large range of length and time scales, requiring large computational grids, implicit time integration, and large solution run times. The University of Minnesota NASA US3D code was designed for the simulation of these complex, highly-coupled flows. It has many of the features of the well-established DPLR code, but uses unstructured grids and has many advanced numerical capabilities and physical models for multi-physics problems. The main capabilities of the code are described, the physical modeling approaches are discussed, the different types of numerical flux functions and time integration approaches are outlined, and the parallelization strategy is overviewed. Comparisons between US3D and the NASA DPLR code are presented, and several advanced simulations are presented to illustrate some of novel features of the code.

Finite element modeling of trolling-mode AFM.

PubMed

Sajjadi, Mohammadreza; Pishkenari, Hossein Nejat; Vossoughi, Gholamreza

2018-06-01

Trolling mode atomic force microscopy (TR-AFM) has overcome many imaging problems in liquid environments by considerably reducing the liquid-resonator interaction forces. The finite element model of the TR-AFM resonator considering the effects of fluid and nanoneedle flexibility is presented in this research, for the first time. The model is verified by ABAQUS software. The effect of installation angle of the microbeam relative to the horizon and the effect of fluid on the system behavior are investigated. Using the finite element model, frequency response curve of the system is obtained and validated around the frequency of the operating mode by the available experimental results, in air and liquid. The changes in the natural frequencies in the presence of liquid are studied. The effects of tip-sample interaction on the excitation of higher order modes of the system are also investigated in air and liquid environments. Copyright © 2018 Elsevier B.V. All rights reserved.

Modified coulomb law in a strongly magnetized vacuum.

PubMed

Shabad, Anatoly E; Usov, Vladimir V

2007-05-04

We study the electric potential of a charge placed in a strong magnetic field B>B(0) approximately 4.4x10(13) G, as modified by the vacuum polarization. In such a field the electron Larmour radius is much less than its Compton length. At the Larmour distances a scaling law occurs, with the potential determined by a magnetic-field-independent function. The scaling regime implies short-range interaction, expressed by the Yukawa law. The electromagnetic interaction regains its long-range character at distances larger than the Compton length, the potential decreasing across B faster than along. Correction to the nonrelativistic ground-state energy of a hydrogenlike atom is found. In the limit B = infinity, the modified potential becomes the Dirac delta function plus a regular background. With this potential the ground-state energy is finite--the best pronounced effect of the vacuum polarization.

Matrix cracking in composite laminates with resin-rich interlaminar layers

NASA Technical Reports Server (NTRS)

Ilcewicz, Larry B.; Dost, Ernest F.; Mccool, J. W.; Grande, D. H.

1991-01-01

Fracture mechanics analysis and test data for a toughened composite material that has a resin-rich interlaminar layer (RIL) were used to investigate in situ strength. Exposure to a range of environmental conditions was considered. A parametric analysis study was performed to judge the effects of laminate and material variables. A finite thickness effect, indicating an interaction between ply group thickness and effective flaw size, was found dominant. The magnitude of the effect was directly related to RIL stiffness. In situ strength was found to decrease with decreasing RIL stiffness. This work indicates the need to use a fracture mechanics model of actual lamina microstructure and heterogeneous properties to predict in situ strength in materials with RIL.

Multispeed Prethermalization in Quantum Spin Models with Power-Law Decaying Interactions

NASA Astrophysics Data System (ADS)

Frérot, Irénée; Naldesi, Piero; Roscilde, Tommaso

2018-01-01

The relaxation of uniform quantum systems with finite-range interactions after a quench is generically driven by the ballistic propagation of long-lived quasiparticle excitations triggered by a sufficiently small quench. Here we investigate the case of long-range (1 /rα) interactions for a d -dimensional lattice spin model with uniaxial symmetry, and show that, in the regime d <α

Multispeed Prethermalization in Quantum Spin Models with Power-Law Decaying Interactions.

PubMed

Frérot, Irénée; Naldesi, Piero; Roscilde, Tommaso

2018-02-02

The relaxation of uniform quantum systems with finite-range interactions after a quench is generically driven by the ballistic propagation of long-lived quasiparticle excitations triggered by a sufficiently small quench. Here we investigate the case of long-range (1/r^{α}) interactions for a d-dimensional lattice spin model with uniaxial symmetry, and show that, in the regime d<α

Dynamic modulus estimation and structural vibration analysis.

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

Gupta, A.

1998-11-18

Often the dynamic elastic modulus of a material with frequency dependent properties is difficult to estimate. These uncertainties are compounded in any structural vibration analysis using the material properties. Here, different experimental techniques are used to estimate the properties of a particular elastomeric material over a broad frequency range. Once the properties are determined, various structures incorporating the elastomer are analyzed by an interactive finite element method to determine natural frequencies and mode shapes. Then, the finite element results are correlated with results obtained by experimental modal analysis.

Quantum Monte Carlo calculations of two neutrons in finite volume

DOE PAGES

Klos, P.; Lynn, J. E.; Tews, I.; ...

2016-11-18

Ab initio calculations provide direct access to the properties of pure neutron systems that are challenging to study experimentally. In addition to their importance for fundamental physics, their properties are required as input for effective field theories of the strong interaction. In this work, we perform auxiliary-field diffusion Monte Carlo calculations of the ground state and first excited state of two neutrons in a finite box, considering a simple contact potential as well as chiral effective field theory interactions. We compare the results against exact diagonalizations and present a detailed analysis of the finite-volume effects, whose understanding is crucial formore » determining observables from the calculated energies. Finally, using the Lüscher formula, we extract the low-energy S-wave scattering parameters from ground- and excited-state energies for different box sizes.« less

Excitations in the Yang–Gaudin Bose gas

DOE PAGES

Robinson, Neil J.; Konik, Robert M.

2017-06-01

Here, we study the excitation spectrum of two-component delta-function interacting bosons confined to a single spatial dimension, the Yang–Gaudin Bose gas. We show that there are pronounced finite-size effects in the dispersion relations of excitations, perhaps best illustrated by the spinon single particle dispersion which exhibits a gap at 2k F and a finite-momentum roton-like minimum. Such features occur at energies far above the finite volume excitation gap, vanish slowly as 1/L for fixed spinon number, and can persist to the thermodynamic limit at fixed spinon density. Features such as the 2k F gap also persist to multi-particle excitation continua. Our results show that excitations in the finite system can behave in a qualitatively different manner to analogous excitations in the thermodynamic limit. The Yang–Gaudin Bose gas is also host to multi-spinon bound states, known asmore » $$\\Lambda$$ -strings. We study these excitations both in the thermodynamic limit under the string hypothesis and in finite size systems where string deviations are taken into account. In the zero-temperature limit we present a simple relation between the length n $$\\Lambda$$-string dressed energies $$\\epsilon_n(\\lambda)$$ and the dressed energy $$\\epsilon(k)$$. We solve the Yang–Yang–Takahashi equations numerically and compare to the analytical solution obtained under the strong couple expansion, revealing that the length n $$\\Lambda$$ -string dressed energy is Lorentzian over a wide range of real string centers λ in the vicinity of $$\\lambda = 0$$ . We then examine the finite size effects present in the dispersion of the two-spinon bound states by numerically solving the Bethe ansatz equations with string deviations.« less

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

Robinson, Neil J.; Konik, Robert M.

Here, we study the excitation spectrum of two-component delta-function interacting bosons confined to a single spatial dimension, the Yang–Gaudin Bose gas. We show that there are pronounced finite-size effects in the dispersion relations of excitations, perhaps best illustrated by the spinon single particle dispersion which exhibits a gap at 2k F and a finite-momentum roton-like minimum. Such features occur at energies far above the finite volume excitation gap, vanish slowly as 1/L for fixed spinon number, and can persist to the thermodynamic limit at fixed spinon density. Features such as the 2k F gap also persist to multi-particle excitation continua. Our results show that excitations in the finite system can behave in a qualitatively different manner to analogous excitations in the thermodynamic limit. The Yang–Gaudin Bose gas is also host to multi-spinon bound states, known asmore » $$\\Lambda$$ -strings. We study these excitations both in the thermodynamic limit under the string hypothesis and in finite size systems where string deviations are taken into account. In the zero-temperature limit we present a simple relation between the length n $$\\Lambda$$-string dressed energies $$\\epsilon_n(\\lambda)$$ and the dressed energy $$\\epsilon(k)$$. We solve the Yang–Yang–Takahashi equations numerically and compare to the analytical solution obtained under the strong couple expansion, revealing that the length n $$\\Lambda$$ -string dressed energy is Lorentzian over a wide range of real string centers λ in the vicinity of $$\\lambda = 0$$ . We then examine the finite size effects present in the dispersion of the two-spinon bound states by numerically solving the Bethe ansatz equations with string deviations.« less

Finite Element Analysis of Reverberation Chambers

NASA Technical Reports Server (NTRS)

Bunting, Charles F.; Nguyen, Duc T.

2000-01-01

The primary motivating factor behind the initiation of this work was to provide a deterministic means of establishing the validity of the statistical methods that are recommended for the determination of fields that interact in -an avionics system. The application of finite element analysis to reverberation chambers is the initial step required to establish a reasonable course of inquiry in this particularly data-intensive study. The use of computational electromagnetics provides a high degree of control of the "experimental" parameters that can be utilized in a simulation of reverberating structures. As the work evolved there were four primary focus areas they are: 1. The eigenvalue problem for the source free problem. 2. The development of a complex efficient eigensolver. 3. The application of a source for the TE and TM fields for statistical characterization. 4. The examination of shielding effectiveness in a reverberating environment. One early purpose of this work was to establish the utility of finite element techniques in the development of an extended low frequency statistical model for reverberation phenomena. By employing finite element techniques, structures of arbitrary complexity can be analyzed due to the use of triangular shape functions in the spatial discretization. The effects of both frequency stirring and mechanical stirring are presented. It is suggested that for the low frequency operation the typical tuner size is inadequate to provide a sufficiently random field and that frequency stirring should be used. The results of the finite element analysis of the reverberation chamber illustrate io-W the potential utility of a 2D representation for enhancing the basic statistical characteristics of the chamber when operating in a low frequency regime. The basic field statistics are verified for frequency stirring over a wide range of frequencies. Mechanical stirring is shown to provide an effective frequency deviation.

On the tidal evolution and tails formation of disc galaxies

NASA Astrophysics Data System (ADS)

Alavi, M.; Razmi, H.

2015-11-01

In this paper, we want to study the tidal effect of an external perturber upon a disc galaxy based on the generalization of already used Keplerian potential. The generalization of the simple ideal Keplerian potential includes an orbital centripetal term and an overall finite range controlling correction. Considering the generalized form of the interaction potential, the velocity impulse expressions resulting from tidal forces are computed; then, using typical real values already known from modern observational data, the evolution of the disc including tidal tails formation is graphically investigated.

Acoustic Analysis of a Sandwich Non Metallic Panel for Roofs by FEM and Experimental Validation

NASA Astrophysics Data System (ADS)

Nieto, P. J. García; del Coz Díaz, J. J.; Vilán, J. A. Vilán; Rabanal, F. P. Alvarez

2007-12-01

In this paper we have studied the acoustic behavior of a sandwich non metallic panel for roofs by the finite element method (FEM). This new field of analysis is the fully coupled solution of fluid flows with structural interactions, commonly referred to as fluid-structure interaction (FSI). It is the natural next step to take in the simulation of mechanical systems. The finite element analysis of acoustic-fluid/structure interactions using potential-based or displacement-based Lagrangian formulations is now well established. The non-linearity is due to the `fluid-structure interaction' (FSI) that governs the problem. In a very considerable range of problems the fluid displacement remains small while interaction is substantial. In this category falls our problem, in which the structural motion influence and react with the generation of pressures in two reverberation rooms. The characteristic of acoustic insulation of the panel is calculated basing on the pressures for different frequencies and points in the transmission rooms. Finally the conclusions reached are shown.

Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: An accurate correction scheme for electrostatic finite-size effects

PubMed Central

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

2013-01-01

The calculation of a protein-ligand binding free energy based on molecular dynamics (MD) simulations generally relies on a thermodynamic cycle in which the ligand is alchemically inserted into the system, both in the solvated protein and free in solution. The corresponding ligand-insertion free energies are typically calculated in nanoscale computational boxes simulated under periodic boundary conditions and considering electrostatic interactions defined by a periodic lattice-sum. This is distinct from the ideal bulk situation of a system of macroscopic size simulated under non-periodic boundary conditions with Coulombic electrostatic interactions. This discrepancy results in finite-size effects, which affect primarily the charging component of the insertion free energy, are dependent on the box size, and can be large when the ligand bears a net charge, especially if the protein is charged as well. This article investigates finite-size effects on calculated charging free energies using as a test case the binding of the ligand 2-amino-5-methylthiazole (net charge +1 e) to a mutant form of yeast cytochrome c peroxidase in water. Considering different charge isoforms of the protein (net charges −5, 0, +3, or +9 e), either in the absence or the presence of neutralizing counter-ions, and sizes of the cubic computational box (edges ranging from 7.42 to 11.02 nm), the potentially large magnitude of finite-size effects on the raw charging free energies (up to 17.1 kJ mol−1) is demonstrated. Two correction schemes are then proposed to eliminate these effects, a numerical and an analytical one. Both schemes are based on a continuum-electrostatics analysis and require performing Poisson-Boltzmann (PB) calculations on the protein-ligand system. While the numerical scheme requires PB calculations under both non-periodic and periodic boundary conditions, the latter at the box size considered in the MD simulations, the analytical scheme only requires three non-periodic PB calculations for a given system, its dependence on the box size being analytical. The latter scheme also provides insight into the physical origin of the finite-size effects. These two schemes also encompass a correction for discrete solvent effects that persists even in the limit of infinite box sizes. Application of either scheme essentially eliminates the size dependence of the corrected charging free energies (maximal deviation of 1.5 kJ mol−1). Because it is simple to apply, the analytical correction scheme offers a general solution to the problem of finite-size effects in free-energy calculations involving charged solutes, as encountered in calculations concerning, e.g., protein-ligand binding, biomolecular association, residue mutation, pKa and redox potential estimation, substrate transformation, solvation, and solvent-solvent partitioning. PMID:24320250

Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: an accurate correction scheme for electrostatic finite-size effects.

PubMed

Rocklin, Gabriel J; Mobley, David L; Dill, Ken A; Hünenberger, Philippe H

2013-11-14

The calculation of a protein-ligand binding free energy based on molecular dynamics (MD) simulations generally relies on a thermodynamic cycle in which the ligand is alchemically inserted into the system, both in the solvated protein and free in solution. The corresponding ligand-insertion free energies are typically calculated in nanoscale computational boxes simulated under periodic boundary conditions and considering electrostatic interactions defined by a periodic lattice-sum. This is distinct from the ideal bulk situation of a system of macroscopic size simulated under non-periodic boundary conditions with Coulombic electrostatic interactions. This discrepancy results in finite-size effects, which affect primarily the charging component of the insertion free energy, are dependent on the box size, and can be large when the ligand bears a net charge, especially if the protein is charged as well. This article investigates finite-size effects on calculated charging free energies using as a test case the binding of the ligand 2-amino-5-methylthiazole (net charge +1 e) to a mutant form of yeast cytochrome c peroxidase in water. Considering different charge isoforms of the protein (net charges -5, 0, +3, or +9 e), either in the absence or the presence of neutralizing counter-ions, and sizes of the cubic computational box (edges ranging from 7.42 to 11.02 nm), the potentially large magnitude of finite-size effects on the raw charging free energies (up to 17.1 kJ mol(-1)) is demonstrated. Two correction schemes are then proposed to eliminate these effects, a numerical and an analytical one. Both schemes are based on a continuum-electrostatics analysis and require performing Poisson-Boltzmann (PB) calculations on the protein-ligand system. While the numerical scheme requires PB calculations under both non-periodic and periodic boundary conditions, the latter at the box size considered in the MD simulations, the analytical scheme only requires three non-periodic PB calculations for a given system, its dependence on the box size being analytical. The latter scheme also provides insight into the physical origin of the finite-size effects. These two schemes also encompass a correction for discrete solvent effects that persists even in the limit of infinite box sizes. Application of either scheme essentially eliminates the size dependence of the corrected charging free energies (maximal deviation of 1.5 kJ mol(-1)). Because it is simple to apply, the analytical correction scheme offers a general solution to the problem of finite-size effects in free-energy calculations involving charged solutes, as encountered in calculations concerning, e.g., protein-ligand binding, biomolecular association, residue mutation, pKa and redox potential estimation, substrate transformation, solvation, and solvent-solvent partitioning.

Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: An accurate correction scheme for electrostatic finite-size effects

NASA Astrophysics Data System (ADS)

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

2013-11-01

The calculation of a protein-ligand binding free energy based on molecular dynamics (MD) simulations generally relies on a thermodynamic cycle in which the ligand is alchemically inserted into the system, both in the solvated protein and free in solution. The corresponding ligand-insertion free energies are typically calculated in nanoscale computational boxes simulated under periodic boundary conditions and considering electrostatic interactions defined by a periodic lattice-sum. This is distinct from the ideal bulk situation of a system of macroscopic size simulated under non-periodic boundary conditions with Coulombic electrostatic interactions. This discrepancy results in finite-size effects, which affect primarily the charging component of the insertion free energy, are dependent on the box size, and can be large when the ligand bears a net charge, especially if the protein is charged as well. This article investigates finite-size effects on calculated charging free energies using as a test case the binding of the ligand 2-amino-5-methylthiazole (net charge +1 e) to a mutant form of yeast cytochrome c peroxidase in water. Considering different charge isoforms of the protein (net charges -5, 0, +3, or +9 e), either in the absence or the presence of neutralizing counter-ions, and sizes of the cubic computational box (edges ranging from 7.42 to 11.02 nm), the potentially large magnitude of finite-size effects on the raw charging free energies (up to 17.1 kJ mol-1) is demonstrated. Two correction schemes are then proposed to eliminate these effects, a numerical and an analytical one. Both schemes are based on a continuum-electrostatics analysis and require performing Poisson-Boltzmann (PB) calculations on the protein-ligand system. While the numerical scheme requires PB calculations under both non-periodic and periodic boundary conditions, the latter at the box size considered in the MD simulations, the analytical scheme only requires three non-periodic PB calculations for a given system, its dependence on the box size being analytical. The latter scheme also provides insight into the physical origin of the finite-size effects. These two schemes also encompass a correction for discrete solvent effects that persists even in the limit of infinite box sizes. Application of either scheme essentially eliminates the size dependence of the corrected charging free energies (maximal deviation of 1.5 kJ mol-1). Because it is simple to apply, the analytical correction scheme offers a general solution to the problem of finite-size effects in free-energy calculations involving charged solutes, as encountered in calculations concerning, e.g., protein-ligand binding, biomolecular association, residue mutation, pKa and redox potential estimation, substrate transformation, solvation, and solvent-solvent partitioning.

Influence of vane sweep on rotor-stator interaction noise

NASA Technical Reports Server (NTRS)

Envia, Edmane; Kerschen, Edward J.

1990-01-01

The influence of vane sweep in rotor-stator interaction noise is investigated. In an analytical approach, the interaction of a convected gust representing the rotor viscous wake, with a cascade of cascade of finite span swept airfoils, representing the stator, is analyzed. The analysis is based on the solution of the exact linearized equations of motion. High frequency convected gusts for which noise generation is concentrated near the leading edge of airfoils is considered. In a preliminary study, the problem of an isolated finite span swept airfoil interacting with a convected gust is analyzed. Results indicate that sweep can substantially reduce the farfield noise levels for a single airfoil. Using the single airfoil model, an approximate solution to the problem of noise radiation from a cascade of finite span swept airfoils interacting with a convected gust is derived. A parametric study of noise generated by gust cascade interaction is carried out to assess the effectiveness of vane sweep in reducing rotor-stator interaction noise. The results show that sweep is beneficial in reducing noise levels. Rotor wake twist or circumferential lean substantially influences the effectiveness of vane sweep. The orientation of vane sweep must be chosen to enhance the natural phase lag caused by wake lean, in which case rather small sweep angles substantially reduce the noise levels.

Influence of vane sweep on rotor-stator interaction noise

NASA Astrophysics Data System (ADS)

Envia, Edmane; Kerschen, Edward J.

1990-12-01

The influence of vane sweep in rotor-stator interaction noise is investigated. In an analytical approach, the interaction of a convected gust representing the rotor viscous wake, with a cascade of cascade of finite span swept airfoils, representing the stator, is analyzed. The analysis is based on the solution of the exact linearized equations of motion. High frequency convected gusts for which noise generation is concentrated near the leading edge of airfoils is considered. In a preliminary study, the problem of an isolated finite span swept airfoil interacting with a convected gust is analyzed. Results indicate that sweep can substantially reduce the farfield noise levels for a single airfoil. Using the single airfoil model, an approximate solution to the problem of noise radiation from a cascade of finite span swept airfoils interacting with a convected gust is derived. A parametric study of noise generated by gust cascade interaction is carried out to assess the effectiveness of vane sweep in reducing rotor-stator interaction noise. The results show that sweep is beneficial in reducing noise levels. Rotor wake twist or circumferential lean substantially influences the effectiveness of vane sweep. The orientation of vane sweep must be chosen to enhance the natural phase lag caused by wake lean, in which case rather small sweep angles substantially reduce the noise levels.

Investigating the dominant corrections to the strong-stretching theory for dry polymeric brushes.

PubMed

Matsen, M W

2004-07-22

The accuracy of strong-stretching theory (SST) is examined against a detailed comparison to self-consistent field theory (SCFT) on dry polymeric brushes with thicknesses of up to approximately 17 times the natural chain extension. The comparison provides the strongest evidence to date that SST represents the exact thick-brush limit of SCFT. More importantly, it allows us to assess the effectiveness of proposed finite-stretching corrections to SST. Including the entropy of the free ends is shown to rectify the most severe inaccuracies in SST. The proximal layer proposed by Likhtman and Semenov provides another significant improvement, and we identify one further effect of similar importance for which there is not yet an accurate treatment. Furthermore, our study provides a valuable means of rejecting mistaken refinements to SST, and indeed one such example is revealed. A proper treatment of finite-stretching corrections is vital to a wide range of phenomena that depend on a small excess free energy, such as autophobic dewetting and the interaction between opposing brushes.

Toric-boson model: Toward a topological quantum memory at finite temperature

NASA Astrophysics Data System (ADS)

Hamma, Alioscia; Castelnovo, Claudio; Chamon, Claudio

2009-06-01

We discuss the existence of stable topological quantum memory at finite temperature. At stake here is the fundamental question of whether it is, in principle, possible to store quantum information for macroscopic times without the intervention from the external world, that is, without error correction. We study the toric code in two dimensions with an additional bosonic field that couples to the defects, in the presence of a generic environment at finite temperature: the toric-boson model. Although the coupling constants for the bare model are not finite in the thermodynamic limit, the model has a finite spectrum. We show that in the topological phase, there is a finite temperature below which open strings are confined and therefore the lifetime of the memory can be made arbitrarily (polynomially) long in system size. The interaction with the bosonic field yields a long-range attractive force between the end points of open strings but leaves closed strings and topological order intact.

Crossover from Super- to Subdiffusive Motion and Memory Effects in Crystalline Organic Semiconductors

NASA Astrophysics Data System (ADS)

De Filippis, G.; Cataudella, V.; Mishchenko, A. S.; Nagaosa, N.; Fierro, A.; de Candia, A.

2015-02-01

The transport properties at finite temperature of crystalline organic semiconductors are investigated, within the Su-Schrieffer-Heeger model, by combining an exact diagonalization technique, Monte Carlo approaches, and a maximum entropy method. The temperature-dependent mobility data measured in single crystals of rubrene are successfully reproduced: a crossover from super- to subdiffusive motion occurs in the range 150 ≤T ≤200 K , where the mean free path becomes of the order of the lattice parameter and strong memory effects start to appear. We provide an effective model, which can successfully explain features of the absorption spectra at low frequencies. The observed response to slowly varying electric field is interpreted by means of a simple model where the interaction between the charge carrier and lattice polarization modes is simulated by a harmonic interaction between a fictitious particle and an electron embedded in a viscous fluid.

Crossover from super- to subdiffusive motion and memory effects in crystalline organic semiconductors.

PubMed

De Filippis, G; Cataudella, V; Mishchenko, A S; Nagaosa, N; Fierro, A; de Candia, A

2015-02-27

The transport properties at finite temperature of crystalline organic semiconductors are investigated, within the Su-Schrieffer-Heeger model, by combining an exact diagonalization technique, Monte Carlo approaches, and a maximum entropy method. The temperature-dependent mobility data measured in single crystals of rubrene are successfully reproduced: a crossover from super- to subdiffusive motion occurs in the range 150≤T≤200  K, where the mean free path becomes of the order of the lattice parameter and strong memory effects start to appear. We provide an effective model, which can successfully explain features of the absorption spectra at low frequencies. The observed response to slowly varying electric field is interpreted by means of a simple model where the interaction between the charge carrier and lattice polarization modes is simulated by a harmonic interaction between a fictitious particle and an electron embedded in a viscous fluid.

Quantum Correlation in the XY Spin Model with Anisotropic Three-Site Interaction

NASA Astrophysics Data System (ADS)

Wang, Yao; Chai, Bing-Bing; Guo, Jin-Liang

2018-05-01

We investigate pairwise entanglement and quantum discord (QD) in the XY spin model with anisotropic three-site interaction at zero and finite temperatures. For both the nearest-neighbor spins and the next nearest-neighbor spins, special attention is paid to the dependence of entanglement and QD on the anisotropic parameter δ induced by the next nearest-neighbor spins. We show that the behavior of QD differs in many ways from entanglement under the influences of the anisotropic three-site interaction at finite temperatures. More important, comparing the effects of δ on the entanglement and QD, we find the anisotropic three-site interaction plays an important role in the quantum correlations at zero and finite temperatures. It is found that δ can strengthen the quantum correlation for both the nearest-neighbor spins and the next nearest-neighbor spins, especially for the nearest-neighbor spins at low temperature.

Singular dynamics and emergence of nonlocality in long-range quantum models

NASA Astrophysics Data System (ADS)

Lepori, L.; Trombettoni, A.; Vodola, D.

2017-03-01

We discuss how nonlocality originates in long-range quantum systems and how it affects their dynamics at and out of equilibrium. We focus in particular on the Kitaev chains with long-range pairings and on the quantum Ising chain with long-range antiferromagnetic coupling (both having a power-law decay with exponent α). By studying the dynamic correlation functions, we find that for every finite α two different behaviours can be identified, one typical of short-range systems and the other connected with locality violation. The latter behaviour is shown related also with the known power-law decay tails previously observed in the static correlation functions, and originated by modes—having in general energies far from the minima of the spectrum—where particular singularities develop as a consequence of the long-rangedness of the system. We refer to these modes as to ‘singular’ modes, and as to ‘singular dynamics’ to their dynamics. For the Kitaev model they are manifest, at finite α, in derivatives of the quasiparticle energy, the order of the derivatives at which the singularity occurs is increasing with α. The features of the singular modes and their physical consequences are clarified by studying an effective theory for them and by a critical comparison of the results from this theory with the lattice ones. Moreover, a numerical study of the effects of the singular modes on the time evolution after various types of global quenches is performed. We finally present and discuss the presence of singular modes and their consequences in interacting long-range systems by investigating in the long-range Ising quantum chain, both in the deep paramagnetic regime and at criticality, where they also play a central role for the breakdown of conformal invariance.

Vertical Phase Segregation Induced by Dipolar Interactions in Planar Polymer Brushes

DOE PAGES

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

2016-09-13

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

Thermodynamics and structural transition of binary atomic Bose-Fermi mixtures in box or harmonic potentials: A path-integral study

NASA Astrophysics Data System (ADS)

Kim, Tom; Chien, Chih-Chun

2018-03-01

Experimental realizations of a variety of atomic binary Bose-Fermi mixtures have brought opportunities for studying composite quantum systems with different spin statistics. The binary atomic mixtures can exhibit a structural transition from a mixture into phase separation as the boson-fermion interaction increases. By using a path-integral formalism to evaluate the grand partition function and the thermodynamic grand potential, we obtain the effective potential of binary Bose-Fermi mixtures. Thermodynamic quantities in a broad range of temperatures and interactions are also derived. The structural transition can be identified as a loop of the effective potential curve, and the volume fraction of phase separation can be determined by the lever rule. For 6Li-7Li and 6Li-41K mixtures, we present the phase diagrams of the mixtures in a box potential at zero and finite temperatures. Due to the flexible densities of atomic gases, the construction of phase separation is more complicated when compared to conventional liquid or solid mixtures where the individual densities are fixed. For harmonically trapped mixtures, we use the local density approximation to map out the finite-temperature density profiles and present typical trap structures, including the mixture, partially separated phases, and fully separated phases.

Close-packed structure dynamics with finite-range interaction: computational mechanics with individual layer interaction.

PubMed

Rodriguez-Horta, Edwin; Estevez-Rams, Ernesto; Lora-Serrano, Raimundo; Neder, Reinhard

2017-09-01

This is the second contribution in a series of papers dealing with dynamical models in equilibrium theories of polytypism. A Hamiltonian introduced by Ahmad & Khan [Phys. Status Solidi B (2000), 218, 425-430] avoids the unphysical assignment of interaction terms to fictitious entities given by spins in the Hägg coding of the stacking arrangement. In this paper an analysis of polytype generation and disorder in close-packed structures is made for such a Hamiltonian. Results are compared with a previous analysis using the Ising model. Computational mechanics is the framework under which the analysis is performed. The competing effects of disorder and structure, as given by entropy density and excess entropy, respectively, are discussed. It is argued that the Ahmad & Khan model is simpler and predicts a larger set of polytypes than previous treatments.

On ballistic parameters of less lethal projectiles influencing the severity of thoracic blunt impacts.

PubMed

Pavier, Julien; Langlet, André; Eches, Nicolas; Jacquet, Jean-François

2015-01-01

The development and safety certification of less lethal projectiles require an understanding of the influence of projectile parameters on projectile-chest interaction and on the resulting terminal effect. Several energy-based criteria have been developed for chest injury assessment. Many studies consider kinetic energy (KE) or energy density as the only projectile parameter influencing terminal effect. In a common KE range (100-160 J), analysis of the firing tests of two 40 mm projectiles of different masses on animal surrogates has been made in order to investigate the severity of the injuries in the thoracic region. Experimental results have shown that KE and calibre are not sufficient to discriminate between the two projectiles as regards their injury potential. Parameters, such as momentum, shape and impedance, influence the projectile-chest interaction and terminal effect. A simplified finite element model of projectile-structure interaction confirms the experimental tendencies. Within the range of ballistic parameters used, it has been demonstrated that maximum thoracic deflection is a useful parameter to predict the skeletal level of injury, and it largely depends on the projectile pre-impact momentum. However, numerical simulations show that these results are merely valid for the experimental conditions used and cannot be generalised. Nevertheless, the transmitted impulse seems to be a more general factor governing the thorax deflection.

An interactive graphics system to facilitate finite element structural analysis

NASA Technical Reports Server (NTRS)

Burk, R. C.; Held, F. H.

1973-01-01

The characteristics of an interactive graphics systems to facilitate the finite element method of structural analysis are described. The finite element model analysis consists of three phases: (1) preprocessing (model generation), (2) problem solution, and (3) postprocessing (interpretation of results). The advantages of interactive graphics to finite element structural analysis are defined.

Finite Element Methods and Multiphase Continuum Theory for Modeling 3D Air-Water-Sediment Interactions

NASA Astrophysics Data System (ADS)

Kees, C. E.; Miller, C. T.; Dimakopoulos, A.; Farthing, M.

2016-12-01

The last decade has seen an expansion in the development and application of 3D free surface flow models in the context of environmental simulation. These models are based primarily on the combination of effective algorithms, namely level set and volume-of-fluid methods, with high-performance, parallel computing. These models are still computationally expensive and suitable primarily when high-fidelity modeling near structures is required. While most research on algorithms and implementations has been conducted in the context of finite volume methods, recent work has extended a class of level set schemes to finite element methods on unstructured methods. This work considers models of three-phase flow in domains containing air, water, and granular phases. These multi-phase continuum mechanical formulations show great promise for applications such as analysis of coastal and riverine structures. This work will consider formulations proposed in the literature over the last decade as well as new formulations derived using the thermodynamically constrained averaging theory, an approach to deriving and closing macroscale continuum models for multi-phase and multi-component processes. The target applications require the ability to simulate wave breaking and structure over-topping, particularly fully three-dimensional, non-hydrostatic flows that drive these phenomena. A conservative level set scheme suitable for higher-order finite element methods is used to describe the air/water phase interaction. The interaction of these air/water flows with granular materials, such as sand and rubble, must also be modeled. The range of granular media dynamics targeted including flow and wave transmision through the solid media as well as erosion and deposition of granular media and moving bed dynamics. For the granular phase we consider volume- and time-averaged continuum mechanical formulations that are discretized with the finite element method and coupled to the underlying air/water flow via operator splitting (fractional step) schemes. Particular attention will be given to verification and validation of the numerical model and important qualitative features of the numerical methods including phase conservation, wave energy dissipation, and computational efficiency in regimes of interest.

Frustrated magnetism and caloric effects in Mn-based antiperovskite nitrides: Ab initio theory

NASA Astrophysics Data System (ADS)

Zemen, J.; Mendive-Tapia, E.; Gercsi, Z.; Banerjee, R.; Staunton, J. B.; Sandeman, K. G.

2017-05-01

We model changes of magnetic ordering in Mn-based antiperovskite nitrides driven by biaxial lattice strain at zero and at finite temperature. We employ a noncollinear spin-polarized density functional theory to compare the response of the geometrically frustrated exchange interactions to a tetragonal symmetry breaking (the so called piezomagnetic effect) across a range of Mn3AN (A = Rh, Pd, Ag, Co, Ni, Zn, Ga, In, Sn) at zero temperature. Building on the robustness of the effect we focus on Mn3GaN and extend our study to finite temperature using the disordered local moment (DLM) first-principles electronic structure theory to model the interplay between the ordering of Mn magnetic moments and itinerant electron states. We discover a rich temperature-strain magnetic phase diagram with two previously unreported phases stabilized by strains larger than 0.75% and with transition temperatures strongly dependent on strain. We propose an elastocaloric cooling cycle crossing two of the available phase transitions to achieve simultaneously a large isothermal entropy change (due to the first-order transition) and a large adiabatic temperature change (due to the second-order transition).

An analysis for high Reynolds number inviscid/viscid interactions in cascades

NASA Technical Reports Server (NTRS)

Barnett, Mark; Verdon, Joseph M.; Ayer, Timothy C.

1993-01-01

An efficient steady analysis for predicting strong inviscid/viscid interaction phenomena such as viscous-layer separation, shock/boundary-layer interaction, and trailing-edge/near-wake interaction in turbomachinery blade passages is needed as part of a comprehensive analytical blade design prediction system. Such an analysis is described. It uses an inviscid/viscid interaction approach, in which the flow in the outer inviscid region is assumed to be potential, and that in the inner or viscous-layer region is governed by Prandtl's equations. The inviscid solution is determined using an implicit, least-squares, finite-difference approximation, the viscous-layer solution using an inverse, finite-difference, space-marching method which is applied along the blade surfaces and wake streamlines. The inviscid and viscid solutions are coupled using a semi-inverse global iteration procedure, which permits the prediction of boundary-layer separation and other strong-interaction phenomena. Results are presented for three cascades, with a range of inlet flow conditions considered for one of them, including conditions leading to large-scale flow separations. Comparisons with Navier-Stokes solutions and experimental data are also given.

Rashba and Dresselhaus spin-orbit interactions effects on electronic features of a two dimensional elliptic quantum dot

NASA Astrophysics Data System (ADS)

Mokhtari, P.; Rezaei, G.; Zamani, A.

2017-06-01

In this paper, electronic structure of a two dimensional elliptic quantum dot under the influence of external electric and magnetic fields are studied in the presence of Rashba and Dresselhaus spin-orbit interactions. This investigation is done computationally and to do this, at first, the effective Hamiltonian of the system by considering the spin-orbit coupling is demonstrated in the presence of applied electric and magnetic fields and afterwards the Schrödinger equation is solved using the finite difference approach. Utilizing finite element method, eigenvalues and eigenstates of the system are calculated and the effect of the external fields, the size of the dot as well as the strength of Rashba spin-orbit interaction are studied. Our results indicate that, Spin-orbit interactions, external fields and the dot size have a great influence on the electronic structure of the system.

Orbital-dependent Electron-Hole Interaction in Graphene and Associated Multi-Layer Structures

PubMed Central

Deng, Tianqi; Su, Haibin

2015-01-01

We develop an orbital-dependent potential to describe electron-hole interaction in materials with structural 2D character, i.e. quasi-2D materials. The modulated orbital-dependent potentials are also constructed with non-local screening, multi-layer screening, and finite gap due to the coupling with substrates. We apply the excitonic Hamiltonian in coordinate-space with developed effective electron-hole interacting potentials to compute excitons’ binding strength at M (π band) and Γ (σ band) points in graphene and its associated multi-layer forms. The orbital-dependent potential provides a range-separated property for regulating both long- and short-range interactions. This accounts for the existence of the resonant π exciton in single- and bi-layer graphenes. The remarkable strong electron-hole interaction in σ orbitals plays a decisive role in the existence of σ exciton in graphene stack at room temperature. The interplay between gap-opening and screening from substrates shed a light on the weak dependence of σ exciton binding energy on the thickness of graphene stacks. Moreover, the analysis of non-hydrogenic exciton spectrum in quasi-2D systems clearly demonstrates the remarkable comparable contribution of orbital dependent potential with respect to non-local screening process. The understanding of orbital-dependent potential developed in this work is potentially applicable for a wide range of materials with low dimension. PMID:26610715

Improving the In-Medium Similarity Renormalization Group via approximate inclusion of three-body effects

NASA Astrophysics Data System (ADS)

Morris, Titus; Bogner, Scott

2015-10-01

The In-Medium Similarity Renormalization Group (IM-SRG) has been applied successfully not only to several closed shell finite nuclei, but has recently been used to produce effective shell model interactions that are competitive with phenomenological interactions in the SD shell. A recent alternative method for solving of the IM-SRG equations, called the Magnus expansion, not only provides a computationally feasible route to producing observables, but also allows for approximate handling of induced three-body forces. Promising results for several systems, including finite nuclei, will be presented and discussed.

Proximity effects in cold gases of multiply charged atoms (Review)

NASA Astrophysics Data System (ADS)

Chikina, I.; Shikin, V.

2016-07-01

Possible proximity effects in gases of cold, multiply charged atoms are discussed. Here we deal with rarefied gases with densities nd of multiply charged (Z ≫ 1) atoms at low temperatures in the well-known Thomas-Fermi (TF) approximation, which can be used to evaluate the statistical properties of single atoms. In order to retain the advantages of the TF formalism, which is successful for symmetric problems, the external boundary conditions accounting for the finiteness of the density of atoms (donors), nd ≠ 0, are also symmetrized (using a spherical Wigner-Seitz cell) and formulated in a standard way that conserves the total charge within the cell. The model shows that at zero temperature in a rarefied gas of multiply charged atoms there is an effective long-range interaction Eproxi(nd), the sign of which depends on the properties of the outer shells of individual atoms. The long-range character of the interaction Eproxi is evaluated by comparing it with the properties of the well-known London dispersive attraction ELond(nd) < 0, which is regarded as a long-range interaction in gases. For the noble gases argon, krypton, and xenon Eproxi>0 and for the alkali and alkaline-earth elements Eproxi < 0. At finite temperatures, TF statistics manifests a new, anomalously large proximity effect, which reflects the tendency of electrons localized at Coulomb centers to escape into the continuum spectrum. The properties of thermal decay are interesting in themselves as they determine the important phenomenon of dissociation of neutral complexes into charged fragments. This phenomenon appears consistently in the TF theory through the temperature dependence of the different versions of Eproxi. The anomaly in the thermal proximity effect shows up in the following way: for T ≠ 0 there is no equilibrium solution of TS statistics for single multiply charged atoms in a vacuum when the effect is present. Instability is suppressed in a Wigner-Seitz model under the assumption that there are no electron fluxes through the outer boundary R3 ∝ n-1d of a Wigner-Seitz cell. Eproxi corresponds to the definition of the correlation energy in a gas of interacting particles. This review is written so as to enable comparison of the results of the TF formalism with the standard assumptions of the correlation theory for classical plasmas. The classic example from work on weak solutions (including charged solutions)—the use of semi-impermeable membranes for studies of osmotic pressure—is highly appropriate for problems involving Eproxi. Here we are speaking of one or more sharp boundaries formed by the ionic component of a many-particle problem. These may be a metal-vacuum boundary in a standard Casimir cell in a study of the vacuum properties in the 2l gap between conducting media of different kinds or different layered systems (quantum wells) in semiconductors, etc. As the mobile part of the equilibrium near a sharp boundary, electrons can (should) escape beyond the confines of the ion core into a gap 2l with a probability that depends, among other factors, on the properties of Eproxi for the electron cloud inside the conducting walls of the Casimir cell (quantum well). The analog of the Casimir sandwich in semiconductors is the widely used multilayer heterostructures referred to as quantum wells of width 2l with sides made of suitable doped materials, which ensure statistical equilibrium exchange of electrons between the layers of the multilayer structure. The thermal component of the proximity effects in semiconducting quantum wells provides an idea of many features of the dissociation process in doped semiconductors. In particular, a positive Eproxi > 0 (relative to the bottom of the conduction band) indicates that TF donors with a finite density nd ≠ 0 form a degenerate, semiconducting state in the semiconductor. At zero temperature, there is a finite density of free carriers which increases with a power-law dependence on T.

A finite element simulation of sound attenuation in a finite duct with a peripherally variable liner

NASA Technical Reports Server (NTRS)

Watson, W. R.

1977-01-01

Using multimodal analysis, a variational finite element method is presented for analyzing sound attenuation in a three-dimensional finite duct with a peripherally variable liner in the absence of flow. A rectangular element, with cubic shaped functions, is employed. Once a small portion of a peripheral liner is removed, the attenuation rate near the frequency where maximum attenuation occurs drops significantly. The positioning of the liner segments affects the attenuation characteristics of the liner. Effects of the duct termination are important in the low frequency ranges. The main effect of peripheral variation of the liner is a broadening of the attenuation characteristics in the midfrequency range. Because of matrix size limitations of the presently available computer program, the eigenvalue equations should be solved out of core in order to handle realistic sources.

Modeling the Effect of Fluid-Structure Interaction on the Impact Dynamics of Pressurized Tank Cars

DOT National Transportation Integrated Search

2009-11-13

This paper presents a computational framework that : analyzes the effect of fluid-structure interaction (FSI) on the : impact dynamics of pressurized commodity tank cars using the : nonlinear dynamic finite element code ABAQUS/Explicit. : There exist...

A finite element method to compute three-dimensional equilibrium configurations of fluid membranes: Optimal parameterization, variational formulation and applications

NASA Astrophysics Data System (ADS)

Rangarajan, Ramsharan; Gao, Huajian

2015-09-01

We introduce a finite element method to compute equilibrium configurations of fluid membranes, identified as stationary points of a curvature-dependent bending energy functional under certain geometric constraints. The reparameterization symmetries in the problem pose a challenge in designing parametric finite element methods, and existing methods commonly resort to Lagrange multipliers or penalty parameters. In contrast, we exploit these symmetries by representing solution surfaces as normal offsets of given reference surfaces and entirely bypass the need for artificial constraints. We then resort to a Galerkin finite element method to compute discrete C1 approximations of the normal offset coordinate. The variational framework presented is suitable for computing deformations of three-dimensional membranes subject to a broad range of external interactions. We provide a systematic algorithm for computing large deformations, wherein solutions at subsequent load steps are identified as perturbations of previously computed ones. We discuss the numerical implementation of the method in detail and demonstrate its optimal convergence properties using examples. We discuss applications of the method to studying adhesive interactions of fluid membranes with rigid substrates and to investigate the influence of membrane tension in tether formation.

Fluxoids configurations in finite superconducting networks

NASA Astrophysics Data System (ADS)

Sharon, Omri J.; Haham, Noam; Shaulov, Avner A.; Yeshurun, Yosef

2017-12-01

Analysis of superconducting ladders consisting of rectangular loops, yields an Ising like expression for the total energy of the ladders as a function of the loops vorticities and the applied magnetic field. This expression shows that fluxoids can be treated as repulsively interacting objects driven towards the ladder center by the applied field. Distinctive repulsive interactions between fluxoids are obtained depending on the ratio l between the loops length and the common width of adjacent loops. A 'short range' and a 'long range' interactions obtained for l ≳ 1 and l ≪ 1, respectively, give rise to remarkably different fluxoid configurations. The different configurations of fluxoids in different types of ladders are illustrated by simulations.

Finite-Size Effects on the Behavior of the Susceptibility in van der Waals Films Bounded by Strongly Absorbing Substrates

NASA Technical Reports Server (NTRS)

Dantchev, Daniel; Rudnick, Joseph; Barmatz, M.

2007-01-01

We study critical point finite-size effects in the case of the susceptibility of a film in which interactions are characterized by a van der Waals-type power law tail. The geometry is appropriate to a slab-like system with two bounding surfaces. Boundary conditions are consistent with surfaces that both prefer the same phase in the low temperature, or broken symmetry, state. We take into account both interactions within the system and interactions between the constituents of the system and the material surrounding it. Specific predictions are made with respect to the behavior of 3He and 4He films in the vicinity of their respective liquid-vapor critical points.

Quantum Monte Carlo calculations of van der Waals interactions between aromatic benzene rings

NASA Astrophysics Data System (ADS)

Azadi, Sam; Kühne, T. D.

2018-05-01

The magnitude of finite-size effects and Coulomb interactions in quantum Monte Carlo simulations of van der Waals interactions between weakly bonded benzene molecules are investigated. To that extent, two trial wave functions of the Slater-Jastrow and Backflow-Slater-Jastrow types are employed to calculate the energy-volume equation of state. We assess the impact of the backflow coordinate transformation on the nonlocal correlation energy. We found that the effect of finite-size errors in quantum Monte Carlo calculations on energy differences is particularly large and may even be more important than the employed trial wave function. In addition to the cohesive energy, the singlet excitonic energy gap and the energy gap renormalization of crystalline benzene at different densities are computed.

Determination of ankle external fixation stiffness by expedited interactive finite element analysis.

PubMed

Nielsen, Jonathan K; Saltzman, Charles L; Brown, Thomas D

2005-11-01

Interactive finite element analysis holds the potential to quickly and accurately determine the mechanical stiffness of alternative external fixator frame configurations. Using as an example Ilizarov distraction of the ankle, a finite element model and graphical user interface were developed that provided rapid, construct-specific information on fixation rigidity. After input of specific construct variables, the finite element software determined the resulting tibial displacement for a given configuration in typically 15s. The formulation was employed to investigate constructs used to treat end-stage arthritis, both in a parametric series and for five specific clinical distraction cases. Parametric testing of 15 individual variables revealed that tibial half-pins were much more effective than transfixion wires in limiting axial tibial displacement. Factors most strongly contributing to stiffening the construct included placing the tibia closer to the fixator rings, and mounting the pins to the rings at the nearest circumferential location to the bone. Benchtop mechanical validation results differed inappreciably from the finite element computations.

Enhancing the nonlinear thermoelectric response of a correlated quantum dot in the Kondo regime by asymmetrical coupling to the leads

NASA Astrophysics Data System (ADS)

Pérez Daroca, Diego; Roura-Bas, Pablo; Aligia, Armando A.

2018-04-01

We study the low-temperature properties of the differential response of the current to a temperature gradient at finite voltage in a single-level quantum dot including electron-electron interaction, nonsymmetric couplings to the leads, and nonlinear effects. The calculated response is significantly enhanced in setups with large asymmetries between the tunnel couplings. In the investigated range of voltages and temperatures with corresponding energies up to several times the Kondo energy scale, the maximum response is enhanced nearly an order of magnitude with respect to symmetric coupling to the leads.

Non-Fermi Liquid Behavior in the Single-Impurity Mixed Valence Problem

NASA Astrophysics Data System (ADS)

Zhang, Guang-Ming; Su, Zhao-Bin; Yu, Lu

An effective Hamiltonian of the Anderson single-impurity model with finite-range Coulomb interactions is derived near a particular limit, which is analogous to the Toulouse limit of the ordinary Kondo problem, and the physical properties around the mixed valence quantum critical point are calculated. At this quantum critical point, the local moment is only partially quenched and X-ray edge singularities are exhibited. Around this point, a new type of non-Fermi liquid behavior is predicted with an extra specific heat Cimp ~ T1/4 + AT ln T and spin-susceptibility χimp ~T-3/4 + B ln T.

Fate of superconductivity in three-dimensional disordered Luttinger semimetals

NASA Astrophysics Data System (ADS)

Mandal, Ipsita

2018-05-01

Superconducting instability can occur in three-dimensional quadratic band crossing semimetals only at a finite coupling strength due to the vanishing of density of states at the quadratic band touching point. Since realistic materials are always disordered to some extent, we study the effect of short-ranged-correlated disorder on this superconducting quantum critical point using a controlled loop-expansion applying dimensional regularization. The renormalization group (RG) scheme allows us to determine the RG flows of the various interaction strengths and shows that disorder destroys the superconducting quantum critical point. In fact, the system exhibits a runaway flow to strong disorder.

Electron-phonon coupling from finite differences

NASA Astrophysics Data System (ADS)

Monserrat, Bartomeu

2018-02-01

The interaction between electrons and phonons underlies multiple phenomena in physics, chemistry, and materials science. Examples include superconductivity, electronic transport, and the temperature dependence of optical spectra. A first-principles description of electron-phonon coupling enables the study of the above phenomena with accuracy and material specificity, which can be used to understand experiments and to predict novel effects and functionality. In this topical review, we describe the first-principles calculation of electron-phonon coupling from finite differences. The finite differences approach provides several advantages compared to alternative methods, in particular (i) any underlying electronic structure method can be used, and (ii) terms beyond the lowest order in the electron-phonon interaction can be readily incorporated. But these advantages are associated with a large computational cost that has until recently prevented the widespread adoption of this method. We describe some recent advances, including nondiagonal supercells and thermal lines, that resolve these difficulties, and make the calculation of electron-phonon coupling from finite differences a powerful tool. We review multiple applications of the calculation of electron-phonon coupling from finite differences, including the temperature dependence of optical spectra, superconductivity, charge transport, and the role of defects in semiconductors. These examples illustrate the advantages of finite differences, with cases where semilocal density functional theory is not appropriate for the calculation of electron-phonon coupling and many-body methods such as the GW approximation are required, as well as examples in which higher-order terms in the electron-phonon interaction are essential for an accurate description of the relevant phenomena. We expect that the finite difference approach will play a central role in future studies of the electron-phonon interaction.

Nuclear symmetry energy in terms of single-nucleon potential and its effect on the proton fraction of β-stable npeμ matter

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

Sahoo, Babita, E-mail: patra-babita@rediffmail.com; Chakraborty, Suparna, E-mail: banerjee.suparna@hotmail.com; Sahoo, Sukadev, E-mail: sukadevsahoo@yahoo.com

2016-01-15

Momentum and density dependence of single-nucleon potential u{sub τ} (k, ρ, β) is analyzed using a density dependent finite range effective interaction of the Yukawa form. Depending on the choice of the strength parameters of exchange interaction, two different trends of the momentum dependence of nuclear symmetry potential are noticed which lead to two opposite types of neutron and proton effective mass splitting. The 2nd-order and 4th-order symmetry energy of isospin asymmetric nuclear matter are expressed analytically in terms of the single-nucleon potential. Two distinct behavior of the density dependence of 2nd-order and 4th-order symmetry energy are observed depending onmore » neutron and proton effective mass splitting. It is also found that the 4th-order symmetry energy has a significant contribution towards the proton fraction of β-stable npeμ matter at high densities.« less

Pairing in exotic neutron-rich nuclei near the drip line and in the crust of neutron stars

NASA Astrophysics Data System (ADS)

Pastore, A.; Margueron, J.; Schuck, P.; Viñas, X.

2013-09-01

Exotic and drip-line nuclei as well as nuclei immersed in a low-density gas of neutrons in the inner crust of neutron stars are systematically investigated with respect to their neutron pairing properties. This is done using Skyrme density-functional and different pairing forces such as a density-dependent contact interaction and a separable form of a finite-range Gogny interaction. Hartree-Fock-Bogoliubov (HFB) and Bardeen-Cooper-Schrieffer (BCS) theories are compared. It is found that neutron pairing is reduced towards the drip line while overcast by strong shell effects. Furthermore, resonances in the continuum can have an important effect counterbalancing the tendency of reduction and leading to a persistence of pairing at the drip line. It is also shown that in these systems the difference between HFB and BCS approaches can be quantitatively large.

Emergent phases of fractonic matter

NASA Astrophysics Data System (ADS)

Prem, Abhinav; Pretko, Michael; Nandkishore, Rahul M.

2018-02-01

Fractons are emergent particles which are immobile in isolation, but which can move together in dipolar pairs or other small clusters. These exotic excitations naturally occur in certain quantum phases of matter described by tensor gauge theories. Previous research has focused on the properties of small numbers of fractons and their interactions, effectively mapping out the "standard model" of fractons. In the present work, however, we consider systems with a finite density of either fractons or their dipolar bound states, with a focus on the U (1 ) fracton models. We study some of the phases in which emergent fractonic matter can exist, thereby initiating the study of the "condensed matter" of fractons. We begin by considering a system with a finite density of fractons, which we show can exhibit microemulsion physics, in which fractons form small-scale clusters emulsed in a phase dominated by long-range repulsion. We then move on to study systems with a finite density of mobile dipoles, which have phases analogous to many conventional condensed matter phases. We focus on two major examples: Fermi liquids and quantum Hall phases. A finite density of fermionic dipoles will form a Fermi surface and enter a Fermi liquid phase. Interestingly, this dipolar Fermi liquid exhibits a finite-temperature phase transition, corresponding to an unbinding transition of fractons. Finally, we study chiral two-dimensional phases corresponding to dipoles in "quantum Hall" states of their emergent magnetic field. We study numerous aspects of these generalized quantum Hall systems, such as their edge theories and ground state degeneracies.

A Finite Rate Chemical Analysis of Nitric Oxide Flow Contamination Effects on Scramjet Performance

NASA Technical Reports Server (NTRS)

Cabell, Karen F.; Rock, Kenneth E.

2003-01-01

The level of nitric oxide contamination in the test gas of the Langley Research Center Arc-Heated Scramjet Test Facility and the effect of the contamination on scramjet test engine performance were investigated analytically. A finite rate chemical analysis was performed to determine the levels of nitric oxide produced in the facility at conditions corresponding to Mach 6 to 8 flight simulations. Results indicate that nitric oxide levels range from one to three mole percent, corroborating previously obtained measurements. A three-stream combustor code with finite rate chemistry was used to investigate the effects of nitric oxide on scramjet performance. Results indicate that nitric oxide in the test gas causes a small increase in heat release and thrust performance for the test conditions investigated. However, a rate constant uncertainty analysis suggests that the effect of nitric oxide ranges from no net effect, to an increase of about 10 percent in thrust performance.

Long Range Debye-Hückel Correction for Computation of Grid-based Electrostatic Forces Between Biomacromolecules

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

Mereghetti, Paolo; Martinez, M.; Wade, Rebecca C.

Brownian dynamics (BD) simulations can be used to study very large molecular systems, such as models of the intracellular environment, using atomic-detail structures. Such simulations require strategies to contain the computational costs, especially for the computation of interaction forces and energies. A common approach is to compute interaction forces between macromolecules by precomputing their interaction potentials on three-dimensional discretized grids. For long-range interactions, such as electrostatics, grid-based methods are subject to finite size errors. We describe here the implementation of a Debye-Hückel correction to the grid-based electrostatic potential used in the SDA BD simulation software that was applied to simulatemore » solutions of bovine serum albumin and of hen egg white lysozyme.« less

Problems in nonlinear acoustics: Scattering of sound by sound, parametric receiving arrays, nonlinear effects in asymmetric sound beams and pulsed finite amplitude sound beams

NASA Astrophysics Data System (ADS)

Hamilton, Mark F.

1989-08-01

Four projects are discussed in this annual summary report, all of which involve basic research in nonlinear acoustics: Scattering of Sound by Sound, a theoretical study of two nonconlinear Gaussian beams which interact to produce sum and difference frequency sound; Parametric Receiving Arrays, a theoretical study of parametric reception in a reverberant environment; Nonlinear Effects in Asymmetric Sound Beams, a numerical study of two dimensional finite amplitude sound fields; and Pulsed Finite Amplitude Sound Beams, a numerical time domain solution of the KZK equation.

Chiral crossover transition in a finite volume

NASA Astrophysics Data System (ADS)

Shi, Chao; Jia, Wenbao; Sun, An; Zhang, Liping; Zong, Hongshi

2018-02-01

Finite volume effects on the chiral crossover transition of strong interactions at finite temperature are studied by solving the quark gap equation within a cubic volume of finite size L. With the anti-periodic boundary condition, our calculation shows the chiral quark condensate, which characterizes the strength of dynamical chiral symmetry breaking, decreases as L decreases below 2.5 fm. We further study the finite volume effects on the pseudo-transition temperature {T}{{c}} of the crossover, showing a significant decrease in {T}{{c}} as L decreases below 3 fm. Supported by National Natural Science Foundation of China (11475085, 11535005, 11690030, 51405027), the Fundamental Research Funds for the Central Universities (020414380074), China Postdoctoral Science Foundation (2016M591808) and Open Research Foundation of State Key Lab. of Digital Manufacturing Equipment & Technology in Huazhong University of Science & Technology (DMETKF2015015)

Exploring cavity-mediated long-range interactions in a dilute quantum gas

NASA Astrophysics Data System (ADS)

Landig, Renate; Mottl, Rafael; Brennecke, Ferdinand; Baumann, Kristian; Donner, Tobias; Esslinger, Tilman

2013-05-01

We report on the observation of a characteristic change in the excitation spectrum of a Bose-Einstein condensate and increased density fluctuations due to cavity-mediated atom-atom interactions. Increasing the strength of the interaction leads to a softening of an excitation mode at finite momentum, preceding a superfluid to supersolid phase transition. The observed behavior is reminiscent of a roton minimum, as predicted for quantum gases with long-range interactions. We create long-range interactions in the BEC using a non-resonant transverse pump beam which induces virtual photon exchange via the vacuum field of an optical cavity. The mode softening is spectroscopically studied across the phase transition using a variant of Bragg spectroscopy. At the phase transition a diverging density response is observed which is linked to increased density fluctuations. Using the cavity dissipation channel we monitor these fluctuations in real-time and identify the influence of measurement backaction onto the critical behavior of the system.

Three-body unitarity in the finite volume

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

Mai, M.; Döring, M.

We present the physical interpretation of lattice QCD simulations, performed in a small volume, requires an extrapolation to the infinite volume. A method is proposed to perform such an extrapolation for three interacting particles at energies above threshold. For this, a recently formulated relativisticmore » $$3\\to 3$$ amplitude based on the isobar formulation is adapted to the finite volume. The guiding principle is two- and three-body unitarity that imposes the imaginary parts of the amplitude in the infinite volume. In turn, these imaginary parts dictate the leading power-law finite-volume effects. It is demonstrated that finite-volume poles arising from the singular interaction, from the external two-body sub-amplitudes, and from the disconnected topology cancel exactly leaving only the genuine three-body eigenvalues. Lastly, the corresponding quantization condition is derived for the case of three identical scalar-isoscalar particles and its numerical implementation is demonstrated.« less

Three-body unitarity in the finite volume

DOE PAGES

Mai, M.; Döring, M.

2017-12-18

We present the physical interpretation of lattice QCD simulations, performed in a small volume, requires an extrapolation to the infinite volume. A method is proposed to perform such an extrapolation for three interacting particles at energies above threshold. For this, a recently formulated relativisticmore » $$3\\to 3$$ amplitude based on the isobar formulation is adapted to the finite volume. The guiding principle is two- and three-body unitarity that imposes the imaginary parts of the amplitude in the infinite volume. In turn, these imaginary parts dictate the leading power-law finite-volume effects. It is demonstrated that finite-volume poles arising from the singular interaction, from the external two-body sub-amplitudes, and from the disconnected topology cancel exactly leaving only the genuine three-body eigenvalues. Lastly, the corresponding quantization condition is derived for the case of three identical scalar-isoscalar particles and its numerical implementation is demonstrated.« less

(Finite) statistical size effects on compressive strength.

PubMed

Weiss, Jérôme; Girard, Lucas; Gimbert, Florent; Amitrano, David; Vandembroucq, Damien

2014-04-29

The larger structures are, the lower their mechanical strength. Already discussed by Leonardo da Vinci and Edmé Mariotte several centuries ago, size effects on strength remain of crucial importance in modern engineering for the elaboration of safety regulations in structural design or the extrapolation of laboratory results to geophysical field scales. Under tensile loading, statistical size effects are traditionally modeled with a weakest-link approach. One of its prominent results is a prediction of vanishing strength at large scales that can be quantified in the framework of extreme value statistics. Despite a frequent use outside its range of validity, this approach remains the dominant tool in the field of statistical size effects. Here we focus on compressive failure, which concerns a wide range of geophysical and geotechnical situations. We show on historical and recent experimental data that weakest-link predictions are not obeyed. In particular, the mechanical strength saturates at a nonzero value toward large scales. Accounting explicitly for the elastic interactions between defects during the damage process, we build a formal analogy of compressive failure with the depinning transition of an elastic manifold. This critical transition interpretation naturally entails finite-size scaling laws for the mean strength and its associated variability. Theoretical predictions are in remarkable agreement with measurements reported for various materials such as rocks, ice, coal, or concrete. This formalism, which can also be extended to the flowing instability of granular media under multiaxial compression, has important practical consequences for future design rules.

Emergent Electronic and Dielectric Properties of Interacting Nanoparticles at Finite Temperature

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

Greenwood, Arin R.; Voros, Marton; Giberti, Federico

Lead chalcogenide nanoparticle solids have been successfully integrated into certified solar cells and represent promising platforms for the design of novel photoabsorbers for photoelectrochemical cells. While much attention has been drawn to improving efficiency and device performance through altering the character of the individual nanoparticles, the role of interactions between nanoparticles is not yet well-understood. Using first-principles molecular dynamics and electronic structure calculations, we investigated the combined effect of temperature and interaction on functionalized lead chalcogenide nanoparticles (NPs). Here, we show that at finite temperature, interacting NPs are dynamical dipolar systems, with the average values of dipole moments and polarizabilitiesmore » substantially increased with respect to those of the isolated building blocks. In addition, we show that the interacting NPs exhibit slightly smaller fundamental gaps that decrease as a function of temperature and that the radiative lifetimes of both the isolated NPs and the solids are greatly reduced at finite temperature compared to T = 0. Lastly, we present a critical discussion of various results reported in the literature for the values of dipole moments of nanoparticles.« less

Emergent Electronic and Dielectric Properties of Interacting Nanoparticles at Finite Temperature

DOE PAGES

Greenwood, Arin R.; Voros, Marton; Giberti, Federico; ...

2017-12-11

Lead chalcogenide nanoparticle solids have been successfully integrated into certified solar cells and represent promising platforms for the design of novel photoabsorbers for photoelectrochemical cells. While much attention has been drawn to improving efficiency and device performance through altering the character of the individual nanoparticles, the role of interactions between nanoparticles is not yet well-understood. Using first-principles molecular dynamics and electronic structure calculations, we investigated the combined effect of temperature and interaction on functionalized lead chalcogenide nanoparticles (NPs). Here, we show that at finite temperature, interacting NPs are dynamical dipolar systems, with the average values of dipole moments and polarizabilitiesmore » substantially increased with respect to those of the isolated building blocks. In addition, we show that the interacting NPs exhibit slightly smaller fundamental gaps that decrease as a function of temperature and that the radiative lifetimes of both the isolated NPs and the solids are greatly reduced at finite temperature compared to T = 0. Lastly, we present a critical discussion of various results reported in the literature for the values of dipole moments of nanoparticles.« less

SMPBS: Web server for computing biomolecular electrostatics using finite element solvers of size modified Poisson-Boltzmann equation.

PubMed

Xie, Yang; Ying, Jinyong; Xie, Dexuan

2017-03-30

SMPBS (Size Modified Poisson-Boltzmann Solvers) is a web server for computing biomolecular electrostatics using finite element solvers of the size modified Poisson-Boltzmann equation (SMPBE). SMPBE not only reflects ionic size effects but also includes the classic Poisson-Boltzmann equation (PBE) as a special case. Thus, its web server is expected to have a broader range of applications than a PBE web server. SMPBS is designed with a dynamic, mobile-friendly user interface, and features easily accessible help text, asynchronous data submission, and an interactive, hardware-accelerated molecular visualization viewer based on the 3Dmol.js library. In particular, the viewer allows computed electrostatics to be directly mapped onto an irregular triangular mesh of a molecular surface. Due to this functionality and the fast SMPBE finite element solvers, the web server is very efficient in the calculation and visualization of electrostatics. In addition, SMPBE is reconstructed using a new objective electrostatic free energy, clearly showing that the electrostatics and ionic concentrations predicted by SMPBE are optimal in the sense of minimizing the objective electrostatic free energy. SMPBS is available at the URL: smpbs.math.uwm.edu © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Constraints on the s – s ¯ asymmetry of the proton in chiral effective theory

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

Wang, X. G.; Ji, Chueng -Ryong; Melnitchouk, W.

2016-09-14

Here, we compute themore » $$s-\\bar s$$ asymmetry in the proton in chiral effective theory, using available phenomenological constraints from existing data. Unlike previous meson cloud model calculations, which accounted for kaon loop contributions with on-shell intermediate states, our formalism includes off-shell and contact interactions, which impact the shape of the $$s-\\bar s$$ difference. Using a finite-range regularization procedure that preserves chiral symmetry and Lorentz invariance, we find that existing data limit the integrated value of the first moment of the asymmetry to the range $$-0.07 \\times 10^{-3} \\leq \\langle x(s-\\bar s) \\rangle \\leq 1.12 \\times 10^{-3}$$ at a scale of $Q^2=1$~GeV$^2$. In contrast to some suggestions in the literature, the magnitude of this correction is too small to account for the NuTeV anomaly.« less

Excitonic effects in dense media: breakdown of intrinsic optical bistability

NASA Astrophysics Data System (ADS)

Yudson, V. I.; Reineker, P.

1994-12-01

The steady-state nonlinear response to optical excitation is studied for a thin layer containing “two-level-atoms” (TLA). For a high density of TLAs their dipole-dipole interaction and finite excitonic bandwidth effects become important. We demonstrate that the commonly used local-field approximation ignoring excitonic band effects breaks down. Considering a system of ordered TLAs corresponding to Frenkel excitons in molecular crystals we show that excitonic effects cause an instability of spatially uniform solutions and decrease drastically the existence range of the intrinsic optical bistability of a layer. The possibility of “fast instability”, developing with an increment large in comparison with relaxation rates and the Rabi frequency, also raises the question whether the local field approximation still holds for the description of transient optical phenomena in dense media.

Excitonic effects in dense media: breakdown of intrinsic optical bistability

NASA Astrophysics Data System (ADS)

Yudson, V. I.; Reineker, P.

The steady-state nonlinear response to optical excitation is studied for a thin layer containing “two-level-atoms” (TLA). For a high density of TLAs their dipole-dipole interaction and finite excitonic bandwidth effects become important. We demonstrate that the commonly used local-field approximation ignoring excitonic band effects breaks down. Considering a system of ordered TLAs corresponding to Frenkel excitons in molecular crystals we show that excitonic effects cause an instability of spatially uniform solutions and decrease drastically the existence range of the intrinsic optical bistability of a layer. The possibility of “fast instability”, developing with an increment large in comparison with relaxation rates and the Rabi frequency, also raises the question whether the local field approximation still holds for the description of transient optical phenomena in dense media.

Spread of Correlations in Long-Range Interacting Quantum Systems

NASA Astrophysics Data System (ADS)

Hauke, P.; Tagliacozzo, L.

2013-11-01

The nonequilibrium response of a quantum many-body system defines its fundamental transport properties and how initially localized quantum information spreads. However, for long-range-interacting quantum systems little is known. We address this issue by analyzing a local quantum quench in the long-range Ising model in a transverse field, where interactions decay as a variable power law with distance ∝r-α, α>0. Using complementary numerical and analytical techniques, we identify three dynamical regimes: short-range-like with an emerging light cone for α>2, weakly long range for 1<α<2 without a clear light cone but with a finite propagation speed of almost all excitations, and fully nonlocal for α<1 with instantaneous transmission of correlations. This last regime breaks generalized Lieb-Robinson bounds and thus locality. Numerical calculation of the entanglement spectrum demonstrates that the usual picture of propagating quasiparticles remains valid, allowing an intuitive interpretation of our findings via divergences of quasiparticle velocities. Our results may be tested in state-of-the-art trapped-ion experiments.

Intermolecular Casimir-Polder forces in water and near surfaces

NASA Astrophysics Data System (ADS)

Thiyam, Priyadarshini; Persson, Clas; Sernelius, Bo E.; Parsons, Drew F.; Malthe-Sørenssen, Anders; Boström, Mathias

2014-09-01

The Casimir-Polder force is an important long-range interaction involved in adsorption and desorption of molecules in fluids. We explore Casimir-Polder interactions between methane molecules in water, and between a molecule in water near SiO2 and hexane surfaces. Inclusion of the finite molecular size in the expression for the Casimir-Polder energy leads to estimates of the dispersion contribution to the binding energies between molecules and between one molecule and a planar surface.

Many Denjoy minimal sets for monotone recurrence relations

NASA Astrophysics Data System (ADS)

Wang, Ya-Nan; Qin, Wen-Xin

2014-09-01

We extend Mather's work (1985 Comment. Math. Helv. 60 508-57) to high-dimensional cylinder maps defined by monotone recurrence relations, e.g. the generalized Frenkel-Kontorova model with finite range interactions. We construct uncountably many Denjoy minimal sets provided that the Birkhoff minimizers with some irrational rotation number ω do not form a foliation.

Authority, Autonomy and Automation: The Irreducibility of Pedagogy to Information Transactions

ERIC Educational Resources Information Center

Lundie, David

2016-01-01

This paper draws attention to the tendency of a range of technologies to reduce pedagogical interactions to a series of datafied transactions of information. This is problematic because such transactions are always by definition reducible to finite possibilities. As the ability to gather and analyse data becomes increasingly fine-grained, the…

Reynolds number effects on mixing due to topological chaos.

PubMed

Smith, Spencer A; Warrier, Sangeeta

2016-03-01

Topological chaos has emerged as a powerful tool to investigate fluid mixing. While this theory can guarantee a lower bound on the stretching rate of certain material lines, it does not indicate what fraction of the fluid actually participates in this minimally mandated mixing. Indeed, the area in which effective mixing takes place depends on physical parameters such as the Reynolds number. To help clarify this dependency, we numerically simulate the effects of a batch stirring device on a 2D incompressible Newtonian fluid in the laminar regime. In particular, we calculate the finite time Lyapunov exponent (FTLE) field for three different stirring protocols, one topologically complex (pseudo-Anosov) and two simple (finite-order), over a range of viscosities. After extracting appropriate measures indicative of both the amount of mixing and the area of effective mixing from the FTLE field, we see a clearly defined Reynolds number range in which the relative efficacy of the pseudo-Anosov protocol over the finite-order protocols justifies the application of topological chaos. More unexpectedly, we see that while the measures of effective mixing area increase with increasing Reynolds number for the finite-order protocols, they actually exhibit non-monotonic behavior for the pseudo-Anosov protocol.

Folding model analyses of 12C-12C and 16O-16O elastic scattering using the density-dependent LOCV-averaged effective interaction

NASA Astrophysics Data System (ADS)

Rahmat, M.; Modarres, M.

2018-03-01

The averaged effective two-body interaction (AEI), which can be generated through the lowest order constrained variational (LOCV) method for symmetric nuclear matter (SNM) with the input [Reid68, Ann. Phys. 50, 411 (1968), 10.1016/0003-4916(68)90126-7] nucleon-nucleon potential, is used as the effective nucleon-nucleon potential in the folding model to describe the heavy-ion (HI) elastic scattering cross sections. The elastic scattering cross sections of 12C-12C and 16O-16O systems are calculated in the above framework. The results are compared with the corresponding calculations coming from the fitting procedures with the input finite range D D M 3 Y 1 -Reid potential and the available experimental data at different incident energies. It is shown that a reasonable description of the elastic 12C-12C and 16O-16O scattering data at the low and medium energies can be obtained by using the above LOCV AEI, without any need to define a parametrized density-dependent function in the effective nucleon-nucleon potential, which is formally considered in the typical D D M 3 Y 1 -Reid interactions.

Effect of carrier doping and external electric field on the optical properties of graphene quantum dots

NASA Astrophysics Data System (ADS)

Basak, Tista; Basak, Tushima

2018-02-01

In this paper, we demonstrate that the optical properties of finite-sized graphene quantum dots can be effectively controlled by doping it with different types of charge carriers (electron/hole). In addition, the role played by a suitably directed external electric field on the optical absorption of charge-doped graphene quantum dots have also been elucidated. The computations have been performed on diamond-shaped graphene quantum dot (DQD) within the framework of the Pariser-Parr-Pople (PPP) model Hamiltonian, which takes into account long-range Coulomb interactions. Our results reveal that the energy band-gap increases when the DQD is doped with holes while it decreases on doping it with electrons. Further, the optical absorption spectra of DQD exhibits red/blue-shift on doping with electrons/holes. Our computations also indicate that the application of external transverse electric field results in a substantial blue-shift of the optical spectrum for charge-doped DQD. However, it is observed that the influence of charge-doping is more prominent in tuning the optical properties of finite-sized graphene quantum dots as compared to externally applied electric field. Thus, tailoring the optical properties of finite-sized graphene quantum dots by manipulative doping with charge carriers and suitably aligned external electric field can greatly enhance its potential application in designing nano-photonic devices.

Selection for sex in finite populations.

PubMed

Roze, D

2014-07-01

Finite population size generates interference between selected loci, which has been shown to favour increased rates of recombination. In this article, I present different analytical models exploring selection acting on a 'sex modifier locus' (that affects the relative investment into asexual and sexual reproduction) in a finite population. Two forms of selective forces act on the modifier: direct selection due to intrinsic costs associated with sexual reproduction and indirect selection generated by one or two other loci affecting fitness. The results show that indirect selective forces differ from those acting on a recombination modifier even in the case of a haploid population: in particular, a single selected locus generates indirect selection for sex, while two loci are required in the case of a recombination modifier. This effect stems from the fact that modifier alleles increasing sex escape more easily from low-fitness genetic backgrounds than alleles coding for lower rates of sex. Extrapolating the results from three-locus models to a large number of loci at mutation-selection balance indicates that in the parameter range where indirect selection is strong enough to outweigh a substantial cost of sex, interactions between selected loci have a stronger effect than the sum of individual effects of each selected locus. Comparisons with multilocus simulation results show that such extrapolations may provide correct predictions for the evolutionarily stable rate of sex, unless the cost of sex is high. © 2014 The Author. Journal of Evolutionary Biology © 2014 European Society For Evolutionary Biology.

Integrated computer-aided design using minicomputers

NASA Technical Reports Server (NTRS)

Storaasli, O. O.

1980-01-01

Computer-Aided Design/Computer-Aided Manufacturing (CAD/CAM), a highly interactive software, has been implemented on minicomputers at the NASA Langley Research Center. CAD/CAM software integrates many formerly fragmented programs and procedures into one cohesive system; it also includes finite element modeling and analysis, and has been interfaced via a computer network to a relational data base management system and offline plotting devices on mainframe computers. The CAD/CAM software system requires interactive graphics terminals operating at a minimum of 4800 bits/sec transfer rate to a computer. The system is portable and introduces 'interactive graphics', which permits the creation and modification of models interactively. The CAD/CAM system has already produced designs for a large area space platform, a national transonic facility fan blade, and a laminar flow control wind tunnel model. Besides the design/drafting element analysis capability, CAD/CAM provides options to produce an automatic program tooling code to drive a numerically controlled (N/C) machine. Reductions in time for design, engineering, drawing, finite element modeling, and N/C machining will benefit productivity through reduced costs, fewer errors, and a wider range of configuration.

IFEMS, an Interactive Finite Element Modeling System Using a CAD/CAM System

NASA Technical Reports Server (NTRS)

Mckellip, S.; Schuman, T.; Lauer, S.

1980-01-01

A method of coupling a CAD/CAM system with a general purpose finite element mesh generator is described. The three computer programs which make up the interactive finite element graphics system are discussed.

Ultrasound finite element simulation sensitivity to anisotropic titanium microstructures

NASA Astrophysics Data System (ADS)

Freed, Shaun; Blackshire, James L.; Na, Jeong K.

2016-02-01

Analytical wave models are inadequate to describe complex metallic microstructure interactions especially for near field anisotropic property effects and through geometric features smaller than the wavelength. In contrast, finite element ultrasound simulations inherently capture microstructure influences due to their reliance on material definitions rather than wave descriptions. To better understand and quantify heterogeneous crystal orientation effects to ultrasonic wave propagation, a finite element modeling case study has been performed with anisotropic titanium grain structures. A parameterized model has been developed utilizing anisotropic spheres within a bulk material. The resulting wave parameters are analyzed as functions of both wavelength and sphere to bulk crystal mismatch angle.

Stochastic theory of large-scale enzyme-reaction networks: Finite copy number corrections to rate equation models

NASA Astrophysics Data System (ADS)

Thomas, Philipp; Straube, Arthur V.; Grima, Ramon

2010-11-01

Chemical reactions inside cells occur in compartment volumes in the range of atto- to femtoliters. Physiological concentrations realized in such small volumes imply low copy numbers of interacting molecules with the consequence of considerable fluctuations in the concentrations. In contrast, rate equation models are based on the implicit assumption of infinitely large numbers of interacting molecules, or equivalently, that reactions occur in infinite volumes at constant macroscopic concentrations. In this article we compute the finite-volume corrections (or equivalently the finite copy number corrections) to the solutions of the rate equations for chemical reaction networks composed of arbitrarily large numbers of enzyme-catalyzed reactions which are confined inside a small subcellular compartment. This is achieved by applying a mesoscopic version of the quasisteady-state assumption to the exact Fokker-Planck equation associated with the Poisson representation of the chemical master equation. The procedure yields impressively simple and compact expressions for the finite-volume corrections. We prove that the predictions of the rate equations will always underestimate the actual steady-state substrate concentrations for an enzyme-reaction network confined in a small volume. In particular we show that the finite-volume corrections increase with decreasing subcellular volume, decreasing Michaelis-Menten constants, and increasing enzyme saturation. The magnitude of the corrections depends sensitively on the topology of the network. The predictions of the theory are shown to be in excellent agreement with stochastic simulations for two types of networks typically associated with protein methylation and metabolism.

Nature of magnetization and lateral spin-orbit interaction in gated semiconductor nanowires.

PubMed

Karlsson, H; Yakimenko, I I; Berggren, K-F

2018-05-31

Semiconductor nanowires are interesting candidates for realization of spintronics devices. In this paper we study electronic states and effects of lateral spin-orbit coupling (LSOC) in a one-dimensional asymmetrically biased nanowire using the Hartree-Fock method with Dirac interaction. We have shown that spin polarization can be triggered by LSOC at finite source-drain bias,as a result of numerical noise representing a random magnetic field due to wiring or a random background magnetic field by Earth magnetic field, for instance. The electrons spontaneously arrange into spin rows in the wire due to electron interactions leading to a finite spin polarization. The direction of polarization is, however, random at zero source-drain bias. We have found that LSOC has an effect on orientation of spin rows only in the case when source-drain bias is applied.

Nature of magnetization and lateral spin–orbit interaction in gated semiconductor nanowires

NASA Astrophysics Data System (ADS)

Karlsson, H.; Yakimenko, I. I.; Berggren, K.-F.

2018-05-01

Semiconductor nanowires are interesting candidates for realization of spintronics devices. In this paper we study electronic states and effects of lateral spin–orbit coupling (LSOC) in a one-dimensional asymmetrically biased nanowire using the Hartree–Fock method with Dirac interaction. We have shown that spin polarization can be triggered by LSOC at finite source-drain bias,as a result of numerical noise representing a random magnetic field due to wiring or a random background magnetic field by Earth magnetic field, for instance. The electrons spontaneously arrange into spin rows in the wire due to electron interactions leading to a finite spin polarization. The direction of polarization is, however, random at zero source-drain bias. We have found that LSOC has an effect on orientation of spin rows only in the case when source-drain bias is applied.

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.

Modeling self-organization of novel organic materials

NASA Astrophysics Data System (ADS)

Sayar, Mehmet

In this thesis, the structural organization of oligomeric multi-block molecules is analyzed by computational analysis of coarse-grained models. These molecules form nanostructures with different dimensionalities, and the nanostructured nature of these materials leads to novel structural properties at different length scales. Previously, a number of oligomeric triblock rodcoil molecules have been shown to self-organize into mushroom shaped noncentrosymmetric nanostructures. Interestingly, thin films of these molecules contain polar domains and a finite macroscopic polarization. However, the fully polarized state is not the equilibrium state. In the first chapter, by solving a model with dipolar and Ising-like short range interactions, we show that polar domains are stable in films composed of aggregates as opposed to isolated molecules. Unlike classical molecular systems, these nanoaggregates have large intralayer spacings (a ≈ 6 nm), leading to a reduction in the repulsive dipolar interactions that oppose polar order within layers. This enables the formation of a striped pattern with polar domains of alternating directions. The energies of the possible structures at zero temperature are computed exactly and results of Monte Carlo simulations are provided at non-zero temperatures. In the second chapter, the macroscopic polarization of such nanostructured films is analyzed in the presence of a short range surface interaction. The surface interaction leads to a periodic domain structure where the balance between the up and down domains is broken, and therefore films of finite thickness have a net macroscopic polarization. The polarization per unit volume is a function of film thickness and strength of the surface interaction. Finally, in chapter three, self-organization of organic molecules into a network of one dimensional objects is analyzed. Multi-block organic dendron rodcoil molecules were found to self-organize into supramolecular nanoribbons (threads) and form gels at very low concentrations. Here, the formation and structural properties of these networks are studied with Monte Carlo simulations. The model gelators can form intra and inter-thread bonds, and the threads have a finite stiffness. The results suggest that the high persistence length is a result of the interplay of thread stiffness and inter-thread interactions. Furthermore, this high persistence length enables the formation of networks at low concentrations.

ESCHER: An interactive mesh-generating editor for preparing finite-element input

NASA Technical Reports Server (NTRS)

Oakes, W. R., Jr.

1984-01-01

ESCHER is an interactive mesh generation and editing program designed to help the user create a finite-element mesh, create additional input for finite-element analysis, including initial conditions, boundary conditions, and slidelines, and generate a NEUTRAL FILE that can be postprocessed for input into several finite-element codes, including ADINA, ADINAT, DYNA, NIKE, TSAAS, and ABUQUS. Two important ESCHER capabilities, interactive geometry creation and mesh archival storge are described in detail. Also described is the interactive command language and the use of interactive graphics. The archival storage and restart file is a modular, entity-based mesh data file. Modules of this file correspond to separate editing modes in the mesh editor, with data definition syntax preserved between the interactive commands and the archival storage file. Because ESCHER was expected to be highly interactive, extensive user documentation was provided in the form of an interactive HELP package.

Emergence and Frustration of Magnetism with Variable-Range Interactions in a Quantum Simulator

DTIC Science & Technology

2013-05-03

quantum entanglement . Here, we engineer frustrated antiferromagnetic interactions between spins stored in a crystal of up to 16 trapped 171Yb+ atoms. We...individual trapped ion spins (10–14) and the observation of spin frus- tration and quantum entanglement in the smallest system of three spins (15). Here...monroe@umd.edu www.sciencemag.org SCIENCE VOL 340 3 MAY 2013 583 and the excitation gap (Fig. 1A) closes, leading to a finite entropy density in the

Modeling of a UV laser beam—silicon nitride interaction

NASA Astrophysics Data System (ADS)

Dgheim, J. A.

2016-11-01

A numerical model is developed to study heat and radiation transfers during the interaction between a UV laser beam and silicon nitride. The laser beam has temporal Gaussian or Gate shapes of a wavelength of 247 nm, with pulse duration of 27 ns. The mathematical model is based on the heat equation coupled to Lambert-Beer relationship by taking into account the conduction, convection and radiation phenomena. The resulting equations are schemed by the finite element method. Comparison with the literature shows qualitative and quantitative agreements. The investigated parameters are the temperature, the timing of the melting process and the melting phase thickness. The effects of the laser fluences, ranging from 500 to 16 000 J.m-2, the Gaussian and Gate shapes on the heat transfer, and the melting phenomenon are studied.

First- and second-order metal-insulator phase transitions and topological aspects of a Hubbard-Rashba system

NASA Astrophysics Data System (ADS)

Marcelino, Edgar

2017-05-01

This paper considers a model consisting of a kinetic term, Rashba spin-orbit coupling and short-range Coulomb interaction at zero temperature. The Coulomb interaction is decoupled by a mean-field approximation in the spin channel using field theory methods. The results feature a first-order phase transition for any finite value of the chemical potential and quantum criticality for vanishing chemical potential. The Hall conductivity is also computed using the Kubo formula in a mean-field effective Hamiltonian. In the limit of infinite mass the kinetic term vanishes and all the phase transitions are of second order; in this case the spontaneous symmetry-breaking mechanism adds a ferromagnetic metallic phase to the system and features a zero-temperature quantization of the Hall conductivity in the insulating one.

Long range Debye-Hückel correction for computation of grid-based electrostatic forces between biomacromolecules

PubMed Central

2014-01-01

Background Brownian dynamics (BD) simulations can be used to study very large molecular systems, such as models of the intracellular environment, using atomic-detail structures. Such simulations require strategies to contain the computational costs, especially for the computation of interaction forces and energies. A common approach is to compute interaction forces between macromolecules by precomputing their interaction potentials on three-dimensional discretized grids. For long-range interactions, such as electrostatics, grid-based methods are subject to finite size errors. We describe here the implementation of a Debye-Hückel correction to the grid-based electrostatic potential used in the SDA BD simulation software that was applied to simulate solutions of bovine serum albumin and of hen egg white lysozyme. Results We found that the inclusion of the long-range electrostatic correction increased the accuracy of both the protein-protein interaction profiles and the protein diffusion coefficients at low ionic strength. Conclusions An advantage of this method is the low additional computational cost required to treat long-range electrostatic interactions in large biomacromolecular systems. Moreover, the implementation described here for BD simulations of protein solutions can also be applied in implicit solvent molecular dynamics simulations that make use of gridded interaction potentials. PMID:25045516

Flow induction by pressure forces

NASA Technical Reports Server (NTRS)

Garris, C. A.; Toh, K. H.; Amin, S.

1992-01-01

A dual experimental/computational approach to the fluid mechanics of complex interactions that take place in a rotary-jet ejector is presented. The long-range goal is to perform both detailed flow mapping and finite element computational analysis. The described work represents an initial finding on the experimental mapping program. Test results on the hubless rotary-jet are discussed.

Topological footprints of the Kitaev chain with long-range superconducting pairings at a finite temperature

NASA Astrophysics Data System (ADS)

Bhattacharya, Utso; Dutta, Amit

2018-06-01

We study the one-dimensional Kitaev chain with long-range superconductive pairing terms at a finite temperature where the system is prepared in a mixed state in equilibrium with a heat reservoir maintained at a constant temperature T . In order to probe the footprint of the ground-state topological behavior of the model at finite temperature, we look at two global quantities extracted out of two geometrical constructions: the Uhlmann and the interferometric phase. Interestingly, when the long-range effect dominates, the Uhlmann phase approach fails to reproduce the topological aspects of the model in the pure-state limit; on the other hand, the interferometric phase which has a proper pure state reduction, shows a behavior independent of the ambient temperature.

Adiabatic and nonadiabatic perturbation theory for coherence vector description of neutrino oscillations

NASA Astrophysics Data System (ADS)

Hollenberg, Sebastian; Päs, Heinrich

2012-01-01

The standard wave function approach for the treatment of neutrino oscillations fails in situations where quantum ensembles at a finite temperature with or without an interacting background plasma are encountered. As a first step to treat such phenomena in a novel way, we propose a unified approach to both adiabatic and nonadiabatic two-flavor oscillations in neutrino ensembles with finite temperature and generic (e.g., matter) potentials. Neglecting effects of ensemble decoherence for now, we study the evolution of a neutrino ensemble governed by the associated quantum kinetic equations, which apply to systems with finite temperature. The quantum kinetic equations are solved formally using the Magnus expansion and it is shown that a convenient choice of the quantum mechanical picture (e.g., the interaction picture) reveals suitable parameters to characterize the physics of the underlying system (e.g., an effective oscillation length). It is understood that this method also provides a promising starting point for the treatment of the more general case in which decoherence is taken into account.

A Version of the Graphics-Oriented Interactive Finite Element Time-Sharing System (GIFTS) for an IBM with CP/CMS.

DTIC Science & Technology

1982-03-01

POSTGRADUATE SCHOOL fMonterey, California THESIS A VERSION OF THE GRAPHICS-ORIENTED INTERACTIVE FINITE ELEMENT TIME-SHARING SYSTEM ( GIFTS ) FOR AN IBM...Master’s & Engineer’s active Finite Element Time-sharing System Thesis - March 1982 ( GIFTS ) for an IBM with CP/CMS 6. penromm.oOn. REPoRT MUlmiR 1. AUTHOIee...ss0in D dinuf 5W M memisi) ’A version of the Graphics-oriented, Interactive, Finite element, Time-sharing System ( GIFTS ) has been developed for, and

Particle-laden swirling free jets: Measurements and predictions

NASA Technical Reports Server (NTRS)

Bulzan, D. L.; Shuen, J.-S.; Faeth, G. M.

1987-01-01

A theoretical and experimental investigation of single-phase and particle-laden weakly swirling jets was conducted. The jets were injected vertically downward from a 19 mm diameter tube with swirl numbers ranging from 0 to 0.33. The particle-laden jets had a single loading ratio (0.2) with particles having a SMD of 39 microns. Mean and fluctuating properties of both phases were measured using nonintrusive laser based methods while particle mass flux was measured using an isokinetic sampling probe. The continuous phase was analyzed using both a baseline kappa-epsilon turbulence model and an extended version with modifications based on the flux Richardson number to account for effects of streamline curvature. To highlight effects of interphase transport rates and particle/turbulence interactions, effects of the particles were analyzed as follows: (1) locally homogeneous flow (LHF) analysis, where interphase transport rates are assumed to be infinitely fast; (2) deterministic separated flow (DSF) analysis, where finite interphase transport rates are considered but particle/turbulence interactions are ignored; and (3) stochastic separated flow (SSF) analysis, where both effects are considered using random-walk computations.

Finite-temperature fluid–insulator transition of strongly interacting 1D disordered bosons

PubMed Central

Michal, Vincent P.; Aleiner, Igor L.; Altshuler, Boris L.; Shlyapnikov, Georgy V.

2016-01-01

We consider the many-body localization–delocalization transition for strongly interacting one-dimensional disordered bosons and construct the full picture of finite temperature behavior of this system. This picture shows two insulator–fluid transitions at any finite temperature when varying the interaction strength. At weak interactions, an increase in the interaction strength leads to insulator → fluid transition, and, for large interactions, there is a reentrance to the insulator regime. It is feasible to experimentally verify these predictions by tuning the interaction strength with the use of Feshbach or confinement-induced resonances, for example, in 7Li or 39K. PMID:27436894

Reynolds number effects on mixing due to topological chaos

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

Smith, Spencer A.; Warrier, Sangeeta

2016-03-15

Topological chaos has emerged as a powerful tool to investigate fluid mixing. While this theory can guarantee a lower bound on the stretching rate of certain material lines, it does not indicate what fraction of the fluid actually participates in this minimally mandated mixing. Indeed, the area in which effective mixing takes place depends on physical parameters such as the Reynolds number. To help clarify this dependency, we numerically simulate the effects of a batch stirring device on a 2D incompressible Newtonian fluid in the laminar regime. In particular, we calculate the finite time Lyapunov exponent (FTLE) field for threemore » different stirring protocols, one topologically complex (pseudo-Anosov) and two simple (finite-order), over a range of viscosities. After extracting appropriate measures indicative of both the amount of mixing and the area of effective mixing from the FTLE field, we see a clearly defined Reynolds number range in which the relative efficacy of the pseudo-Anosov protocol over the finite-order protocols justifies the application of topological chaos. More unexpectedly, we see that while the measures of effective mixing area increase with increasing Reynolds number for the finite-order protocols, they actually exhibit non-monotonic behavior for the pseudo-Anosov protocol.« less

Development of a recursion RNG-based turbulence model

NASA Technical Reports Server (NTRS)

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

1993-01-01

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

Many-body localization in Ising models with random long-range interactions

NASA Astrophysics Data System (ADS)

Li, Haoyuan; Wang, Jia; Liu, Xia-Ji; Hu, Hui

2016-12-01

We theoretically investigate the many-body localization phase transition in a one-dimensional Ising spin chain with random long-range spin-spin interactions, Vi j∝|i-j |-α , where the exponent of the interaction range α can be tuned from zero to infinitely large. By using exact diagonalization, we calculate the half-chain entanglement entropy and the energy spectral statistics and use them to characterize the phase transition towards the many-body localization phase at infinite temperature and at sufficiently large disorder strength. We perform finite-size scaling to extract the critical disorder strength and the critical exponent of the divergent localization length. With increasing α , the critical exponent experiences a sharp increase at about αc≃1.2 and then gradually decreases to a value found earlier in a disordered short-ranged interacting spin chain. For α <αc , we find that the system is mostly localized and the increase in the disorder strength may drive a transition between two many-body localized phases. In contrast, for α >αc , the transition is from a thermalized phase to the many-body localization phase. Our predictions could be experimentally tested with an ion-trap quantum emulator with programmable random long-range interactions, or with randomly distributed Rydberg atoms or polar molecules in lattices.

Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory.

PubMed

Stoyanova, Alexandrina; Teale, Andrew M; Toulouse, Julien; Helgaker, Trygve; Fromager, Emmanuel

2013-10-07

The alternative separation of exchange and correlation energies proposed by Toulouse et al. [Theor. Chem. Acc. 114, 305 (2005)] is explored in the context of multi-configuration range-separated density-functional theory. The new decomposition of the short-range exchange-correlation energy relies on the auxiliary long-range interacting wavefunction rather than the Kohn-Sham (KS) determinant. The advantage, relative to the traditional KS decomposition, is that the wavefunction part of the energy is now computed with the regular (fully interacting) Hamiltonian. One potential drawback is that, because of double counting, the wavefunction used to compute the energy cannot be obtained by minimizing the energy expression with respect to the wavefunction parameters. The problem is overcome by using short-range optimized effective potentials (OEPs). The resulting combination of OEP techniques with wavefunction theory has been investigated in this work, at the Hartree-Fock (HF) and multi-configuration self-consistent-field (MCSCF) levels. In the HF case, an analytical expression for the energy gradient has been derived and implemented. Calculations have been performed within the short-range local density approximation on H2, N2, Li2, and H2O. Significant improvements in binding energies are obtained with the new decomposition of the short-range energy. The importance of optimizing the short-range OEP at the MCSCF level when static correlation becomes significant has also been demonstrated for H2, using a finite-difference gradient. The implementation of the analytical gradient for MCSCF wavefunctions is currently in progress.

Effect of Surface Nonequilibrium Thermochemistry in Simulation of Carbon Based Ablators

NASA Technical Reports Server (NTRS)

Chen, Yih-Kang; Gokcen, Tahir

2012-01-01

This study demonstrates that coupling of a material thermal response code and a flow solver using finite-rate gas/surface interaction model provides time-accurate solutions for multidimensional ablation of carbon based charring ablators. The material thermal response code used in this study is the Two-dimensional Implicit Thermal Response and Ablation Program (TITAN), which predicts charring material thermal response and shape change on hypersonic space vehicles. Its governing equations include total energy balance, pyrolysis gas momentum conservation, and a three-component decomposition model. The flow code solves the reacting Navier-Stokes equations using Data Parallel Line Relaxation (DPLR) method. Loose coupling between material response and flow codes is performed by solving the surface mass balance in DPLR and the surface energy balance in TITAN. Thus, the material surface recession is predicted by finite-rate gas/surface interaction boundary conditions implemented in DPLR, and the surface temperature and pyrolysis gas injection rate are computed in TITAN. Two sets of gas/surface interaction chemistry between air and carbon surface developed by Park and Zhluktov, respectively, are studied. Coupled fluid-material response analyses of stagnation tests conducted in NASA Ames Research Center arc-jet facilities are considered. The ablating material used in these arc-jet tests was a Phenolic Impregnated Carbon Ablator (PICA). Computational predictions of in-depth material thermal response and surface recession are compared with the experimental measurements for stagnation cold wall heat flux ranging from 107 to 1100 Watts per square centimeter.

Aircraft wake vortex transport model

DOT National Transportation Integrated Search

1974-03-31

A wake vortex transport model has been developed which includes the effects of wind and wind : shear, buoyancy, mutual and self-induction, ground plane interaction, viscous decay, finite core : and Crow instability effects. Photographic and ground-wi...

Space use by foragers consuming renewable resources

NASA Astrophysics Data System (ADS)

Abramson, Guillermo; Kuperman, Marcelo N.; Morales, Juan M.; Miller, Joel C.

2014-05-01

We study a simple model of a forager as a walk that modifies a relaxing substrate. Within it simplicity, this provides an insight on a number of relevant and non-intuitive facts. Even without memory of the good places to feed and no explicit cost of moving, we observe the emergence of a finite home range. We characterize the walks and the use of resources in several statistical ways, involving the behavior of the average used fraction of the system, the length of the cycles followed by the walkers, and the frequency of visits to plants. Preliminary results on population effects are explored by means of a system of two non directly interacting animals. Properties of the overlap of home ranges show the existence of a set of parameters that provides the best utilization of the shared resource.

Analysis of surface cracks in finite plates under tension or bending loads

NASA Technical Reports Server (NTRS)

Newman, J. C., Jr.; Raju, I. S.

1979-01-01

Stress-intensity factors calculated with a three-dimensional, finite-element analysis for shallow and deep semielliptical surface cracks in finite elastic isotropic plates subjected to tension or bending loads are presented. A wide range of configuration parameters was investigated. The ratio of crack depth to plate thickness ranged from 0.2 to 0.8 and the ratio of crack depth to crack length ranged from 0.2 to 2.0. The effects of plate width on stress-intensity variations along the crack front was also investigated. A wide-range equation for stress-intensity factors along the crack front as a function of crack depth, crack length, plate thickness, and plate width was developed for tension and bending loads. The equation was used to predict patterns of surface-crack growth under tension or bending fatigue loads. A modified form of the equation was also used to correlate surface-crack fracture data for a brittle epoxy material within + or - 10 percent for a wide range of crack shapes and crack sizes.

Coupled Structural, Thermal, Phase-change and Electromagnetic Analysis for Superconductors, Volume 2

NASA Technical Reports Server (NTRS)

Felippa, C. A.; Farhat, C.; Park, K. C.; Militello, C.; Schuler, J. J.

1996-01-01

Described are the theoretical development and computer implementation of reliable and efficient methods for the analysis of coupled mechanical problems that involve the interaction of mechanical, thermal, phase-change and electromag subproblems. The focus application has been the modeling of superconductivity and associated quantum-state phase change phenomena. In support of this objective the work has addressed the following issues: (1) development of variational principles for finite elements, (2) finite element modeling of the electromagnetic problem, (3) coupling of thermel and mechanical effects, and (4) computer implementation and solution of the superconductivity transition problem. The main accomplishments have been: (1) the development of the theory of parametrized and gauged variational principles, (2) the application of those principled to the construction of electromagnetic, thermal and mechanical finite elements, and (3) the coupling of electromagnetic finite elements with thermal and superconducting effects, and (4) the first detailed finite element simulations of bulk superconductors, in particular the Meissner effect and the nature of the normal conducting boundary layer. The theoretical development is described in two volumes. Volume 1 describes mostly formulation specific problems. Volume 2 describes generalization of those formulations.

Periodic and quasiperiodic revivals in periodically driven interacting quantum systems

NASA Astrophysics Data System (ADS)

Luitz, David J.; Lazarides, Achilleas; Bar Lev, Yevgeny

2018-01-01

Recently it has been shown that interparticle interactions generically destroy dynamical localization in periodically driven systems, resulting in diffusive transport and heating. In this Rapid Communication we rigorously construct a family of interacting driven systems which are dynamically localized and effectively decoupled from the external driving potential. We show that these systems exhibit tunable periodic or quasiperiodic revivals of the many-body wave function and thus of all physical observables. By numerically examining spinless fermions on a one-dimensional lattice we show that the analytically obtained revivals of such systems remain stable for finite systems with open boundary conditions while having a finite lifetime in the presence of static spatial disorder. We find this lifetime to be inversely proportional to the disorder strength.

Emergence of jams in the generalized totally asymmetric simple exclusion process

NASA Astrophysics Data System (ADS)

Derbyshev, A. E.; Povolotsky, A. M.; Priezzhev, V. B.

2015-02-01

The generalized totally asymmetric exclusion process (TASEP) [J. Stat. Mech. (2012) P05014, 10.1088/1742-5468/2012/05/P05014] is an integrable generalization of the TASEP equipped with an interaction, which enhances the clustering of particles. The process interpolates between two extremal cases: the TASEP with parallel update and the process with all particles irreversibly merging into a single cluster moving as an isolated particle. We are interested in the large time behavior of this process on a ring in the whole range of the parameter λ controlling the interaction. We study the stationary state correlations, the cluster size distribution, and the large-time fluctuations of integrated particle current. When λ is finite, we find the usual TASEP-like behavior: The correlation length is finite; there are only clusters of finite size in the stationary state and current fluctuations belong to the Kardar-Parisi-Zhang universality class. When λ grows with the system size, so does the correlation length. We find a nontrivial transition regime with clusters of all sizes on the lattice. We identify a crossover parameter and derive the large deviation function for particle current, which interpolates between the case considered by Derrida-Lebowitz and a single-particle diffusion.

Electromagnetic drift waves dispersion for arbitrarily collisional plasmas

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

Lee, Wonjae, E-mail: wol023@ucsd.edu; Krasheninnikov, Sergei I., E-mail: skrash@mae.ucsd.edu; Angus, J. R.

2015-07-15

The impacts of the electromagnetic effects on resistive and collisionless drift waves are studied. A local linear analysis on an electromagnetic drift-kinetic equation with Bhatnagar-Gross-Krook-like collision operator demonstrates that the model is valid for describing linear growth rates of drift wave instabilities in a wide range of plasma parameters showing convergence to reference models for limiting cases. The wave-particle interactions drive collisionless drift-Alfvén wave instability in low collisionality and high beta plasma regime. The Landau resonance effects not only excite collisionless drift wave modes but also suppress high frequency electron inertia modes observed from an electromagnetic fluid model in collisionlessmore » and low beta regime. Considering ion temperature effects, it is found that the impact of finite Larmor radius effects significantly reduces the growth rate of the drift-Alfvén wave instability with synergistic effects of high beta stabilization and Landau resonance.« less

Measuring finite-range phase coherence in an optical lattice using Talbot interferometry

PubMed Central

Santra, Bodhaditya; Baals, Christian; Labouvie, Ralf; Bhattacherjee, Aranya B.; Pelster, Axel; Ott, Herwig

2017-01-01

One of the important goals of present research is to control and manipulate coherence in a broad variety of systems, such as semiconductor spintronics, biological photosynthetic systems, superconducting qubits and complex atomic networks. Over the past decades, interferometry of atoms and molecules has proven to be a powerful tool to explore coherence. Here we demonstrate a near-field interferometer based on the Talbot effect, which allows us to measure finite-range phase coherence of ultracold atoms in an optical lattice. We apply this interferometer to study the build-up of phase coherence after a quantum quench of a Bose–Einstein condensate residing in a one-dimensional optical lattice. Our technique of measuring finite-range phase coherence is generic, easy to adopt and can be applied in practically all lattice experiments without further modifications. PMID:28580941

Numerical Methods of Computational Electromagnetics for Complex Inhomogeneous Systems

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

Cai, Wei

Understanding electromagnetic phenomena is the key in many scientific investigation and engineering designs such as solar cell designs, studying biological ion channels for diseases, and creating clean fusion energies, among other things. The objectives of the project are to develop high order numerical methods to simulate evanescent electromagnetic waves occurring in plasmon solar cells and biological ion-channels, where local field enhancement within random media in the former and long range electrostatic interactions in the latter are of major challenges for accurate and efficient numerical computations. We have accomplished these objectives by developing high order numerical methods for solving Maxwell equationsmore » such as high order finite element basis for discontinuous Galerkin methods, well-conditioned Nedelec edge element method, divergence free finite element basis for MHD, and fast integral equation methods for layered media. These methods can be used to model the complex local field enhancement in plasmon solar cells. On the other hand, to treat long range electrostatic interaction in ion channels, we have developed image charge based method for a hybrid model in combining atomistic electrostatics and continuum Poisson-Boltzmann electrostatics. Such a hybrid model will speed up the molecular dynamics simulation of transport in biological ion-channels.« less

A model to study finite-size and magnetic effects on the phase transition of a fermion interacting system

NASA Astrophysics Data System (ADS)

Corrêa, Emerson B. S.; Linhares, César A.; Malbouisson, Adolfo P. C.

2018-03-01

We present a model to study the effects from external magnetic field, chemical potential and finite size on the phase structures of a massive four- and six-fermion interacting systems. These effects are introduced by a method of compactification of coordinates, a generalization of the standard Matsubara prescription. Through the compactification of the z-coordinate and of imaginary time, we describe a heated system with the shape of a film of thickness L, at temperature β-1 undergoing first- or second-order phase transition. We have found a strong dependence of the temperature transition on the coupling constants λ and η. Besides inverse magnetic catalysis and symmetry breaking for both kinds of transition, we have found an inverse symmetry breaking phenomenon with respect to first-order phase transition.

Modelling crystal plasticity by 3D dislocation dynamics and the finite element method: The Discrete-Continuous Model revisited

NASA Astrophysics Data System (ADS)

Vattré, A.; Devincre, B.; Feyel, F.; Gatti, R.; Groh, S.; Jamond, O.; Roos, A.

2014-02-01

A unified model coupling 3D dislocation dynamics (DD) simulations with the finite element (FE) method is revisited. The so-called Discrete-Continuous Model (DCM) aims to predict plastic flow at the (sub-)micron length scale of materials with complex boundary conditions. The evolution of the dislocation microstructure and the short-range dislocation-dislocation interactions are calculated with a DD code. The long-range mechanical fields due to the dislocations are calculated by a FE code, taking into account the boundary conditions. The coupling procedure is based on eigenstrain theory, and the precise manner in which the plastic slip, i.e. the dislocation glide as calculated by the DD code, is transferred to the integration points of the FE mesh is described in full detail. Several test cases are presented, and the DCM is applied to plastic flow in a single-crystal Nickel-based superalloy.

3D Hybrid Simulations of Interactions of High-Velocity Plasmoids with Obstacles

NASA Astrophysics Data System (ADS)

Omelchenko, Y. A.; Weber, T. E.; Smith, R. J.

2015-11-01

Interactions of fast plasma streams and objects with magnetic obstacles (dipoles, mirrors, etc) lie at the core of many space and laboratory plasma phenomena ranging from magnetoshells and solar wind interactions with planetary magnetospheres to compact fusion plasmas (spheromaks and FRCs) to astrophysics-in-lab experiments. Properly modeling ion kinetic, finite-Larmor radius and Hall effects is essential for describing large-scale plasma dynamics, turbulence and heating in complex magnetic field geometries. Using an asynchronous parallel hybrid code, HYPERS, we conduct 3D hybrid (particle-in-cell ion, fluid electron) simulations of such interactions under realistic conditions that include magnetic flux coils, ion-ion collisions and the Chodura resistivity. HYPERS does not step simulation variables synchronously in time but instead performs time integration by executing asynchronous discrete events: updates of particles and fields carried out as frequently as dictated by local physical time scales. Simulations are compared with data from the MSX experiment which studies the physics of magnetized collisionless shocks through the acceleration and subsequent stagnation of FRC plasmoids against a strong magnetic mirror and flux-conserving boundary.

A study of the diffusional behavior of a two-phase metal matrix composite exposed to a high temperature environment

NASA Technical Reports Server (NTRS)

Tenney, D. R.

1974-01-01

The progress of diffusion-controlled filament-matrix interaction in a metal matrix composite where the filaments and matrix comprise a two-phase binary alloy system was studied by mathematically modeling compositional changes resulting from prolonged elevated temperature exposure. The analysis treats a finite, diffusion-controlled, two-phase moving-interface problem by means of a variable-grid finite-difference technique. The Ni-W system was selected as an example system. Modeling was carried out for the 1000 to 1200 C temperature range for unidirectional composites containing from 6 to 40 volume percent tungsten filaments in a Ni matrix. The results are displayed to show both the change in filament diameter and matrix composition as a function of exposure time. Compositional profiles produced between first and second nearest neighbor filaments were calculated by superposition of finite-difference solutions of the diffusion equations.

Thermal expansion in dispersion-bound molecular crystals

DOE PAGES

Ko, Hsin -Yu; DiStasio, Robert A.; Santra, Biswajit; ...

2018-05-18

In this paper, we explore how anharmonicity, nuclear quantum effects (NQE), many-body dispersion interactions, and Pauli repulsion influence thermal properties of dispersion-bound molecular crystals. Accounting for anharmonicity with ab initio molecular dynamics yields cell parameters accurate to within 2% of experiment for a set of pyridinelike molecular crystals at finite temperatures and pressures. From the experimental thermal expansion curve, we find that pyridine-I has a Debye temperature just above its melting point, indicating sizable NQE across the entire crystalline range of stability. We find that NQE lead to a substantial volume increase in pyridine-I (≈ 40% more than classical thermalmore » expansion at 153 K) and attribute this to intermolecular Pauli repulsion promoted by intramolecular quantum fluctuations. Finally, when predicting delicate properties such as the thermal expansivity, we show that many-body dispersion interactions and more sophisticated density functional approximations improve the accuracy of the theoretical model.« less

Thermal expansion in dispersion-bound molecular crystals

NASA Astrophysics Data System (ADS)

Ko, Hsin-Yu; DiStasio, Robert A.; Santra, Biswajit; Car, Roberto

2018-05-01

We explore how anharmonicity, nuclear quantum effects (NQE), many-body dispersion interactions, and Pauli repulsion influence thermal properties of dispersion-bound molecular crystals. Accounting for anharmonicity with ab initio molecular dynamics yields cell parameters accurate to within 2 % of experiment for a set of pyridinelike molecular crystals at finite temperatures and pressures. From the experimental thermal expansion curve, we find that pyridine-I has a Debye temperature just above its melting point, indicating sizable NQE across the entire crystalline range of stability. We find that NQE lead to a substantial volume increase in pyridine-I (≈40 % more than classical thermal expansion at 153 K) and attribute this to intermolecular Pauli repulsion promoted by intramolecular quantum fluctuations. When predicting delicate properties such as the thermal expansivity, we show that many-body dispersion interactions and more sophisticated density functional approximations improve the accuracy of the theoretical model.

Effects of bleed-hole geometry and plenum pressure on three-dimensional shock-wave/boundary-layer/bleed interactions

NASA Technical Reports Server (NTRS)

Chyu, Wei J.; Rimlinger, Mark J.; Shih, Tom I.-P.

1993-01-01

A numerical study was performed to investigate 3D shock-wave/boundary-layer interactions on a flat plate with bleed through one or more circular holes that vent into a plenum. This study was focused on how bleed-hole geometry and pressure ratio across bleed holes affect the bleed rate and the physics of the flow in the vicinity of the holes. The aspects of the bleed-hole geometry investigated include angle of bleed hole and the number of bleed holes. The plenum/freestream pressure ratios investigated range from 0.3 to 1.7. This study is based on the ensemble-averaged, 'full compressible' Navier-Stokes (N-S) equations closed by the Baldwin-Lomax algebraic turbulence model. Solutions to the ensemble-averaged N-S equations were obtained by an implicit finite-volume method using the partially-split, two-factored algorithm of Steger on an overlapping Chimera grid.

Thermal expansion in dispersion-bound molecular crystals

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

Ko, Hsin -Yu; DiStasio, Robert A.; Santra, Biswajit

In this paper, we explore how anharmonicity, nuclear quantum effects (NQE), many-body dispersion interactions, and Pauli repulsion influence thermal properties of dispersion-bound molecular crystals. Accounting for anharmonicity with ab initio molecular dynamics yields cell parameters accurate to within 2% of experiment for a set of pyridinelike molecular crystals at finite temperatures and pressures. From the experimental thermal expansion curve, we find that pyridine-I has a Debye temperature just above its melting point, indicating sizable NQE across the entire crystalline range of stability. We find that NQE lead to a substantial volume increase in pyridine-I (≈ 40% more than classical thermalmore » expansion at 153 K) and attribute this to intermolecular Pauli repulsion promoted by intramolecular quantum fluctuations. Finally, when predicting delicate properties such as the thermal expansivity, we show that many-body dispersion interactions and more sophisticated density functional approximations improve the accuracy of the theoretical model.« less

Polar order in nanostructured organic materials

NASA Astrophysics Data System (ADS)

Sayar, M.; Olvera de la Cruz, M.; Stupp, S. I.

2003-02-01

Achiral multi-block liquid crystals are not expected to form polar domains. Recently, however, films of nanoaggregates formed by multi-block rodcoil molecules were identified as the first example of achiral single-component materials with macroscopic polar properties. By solving an Ising-like model with dipolar and asymmetric short-range interactions, we show here that polar domains are stable in films composed of aggregates as opposed to isolated molecules. Unlike classical molecular systems, these nanoaggregates have large intralayer spacings (a approx 8 nm), leading to a reduction in the repulsive dipolar interactions which oppose polar order within layers. In finite-thickness films of nanostructures, this effect enables the formation of polar domains. We compute exactly the energies of the possible structures consistent with the experiments as a function of film thickness at zero temperature (T). We also provide Monte Carlo simulations at non-zero T for a disordered hexagonal lattice that resembles the smectic-like packing in these nanofilms.

On thermal corrections to near-threshold annihilation

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

Kim, Seyong; Laine, M., E-mail: skim@sejong.ac.kr, E-mail: laine@itp.unibe.ch

2017-01-01

We consider non-relativistic ''dark'' particles interacting through gauge boson exchange. At finite temperature, gauge exchange is modified in many ways: virtual corrections lead to Debye screening; real corrections amount to frequent scatterings of the heavy particles on light plasma constituents; mixing angles change. In a certain temperature and energy range, these effects are of order unity. Taking them into account in a resummed form, we estimate the near-threshold spectrum of kinetically equilibrated annihilating TeV scale particles. Weakly bound states are shown to 'melt' below freeze-out, whereas with attractive strong interactions, relevant e.g. for gluinos, bound states boost the annihilation ratemore » by a factor 4 ... 80 with respect to the Sommerfeld estimate, thereby perhaps helping to avoid overclosure of the universe. Modestly non-degenerate dark sector masses and a way to combine the contributions of channels with different gauge and spin structures are also discussed.« less

Effect of Prestresses on the Dispersion of Quasi-Lamb Waves in the System Consisting of an Ideal Liquid Layer and a Compressible Elastic Layer

NASA Astrophysics Data System (ADS)

Bagno, A. M.

2017-03-01

The propagation of quasi-Lamb waves in a prestrained compressible elastic layer interacting with a layer of an ideal compressible fluid is studied. The three-dimensional equations of linearized elasticity and the assumption of finite strains for the elastic layer and the three-dimensional linearized Euler equations for the fluid are used. The dispersion curves for the quasi-Lamb modes are plotted over a wide frequency range. The effect of prestresses and the thickness of the elastic and liquid layers on the frequency spectrum of normal quasi-Lamb waves is analyzed. The localization properties of the lower quasi-Lamb modes in the elastic-fluid waveguides are studied. The numerical results are presented in the form of graphs and analyzed

Metallic quantum critical points with finite BCS couplings

NASA Astrophysics Data System (ADS)

Raghu, Srinivas

The problem of superconductivity near quantum critical points (QCPs) remains a central topic of modern condensed matter physics. In such systems, there is a competition between the enhanced pairing tendency due to the presence of long-range attractive interactions near criticality, and the suppression of superconductivity due to the destruction of Landau quasiparticles. I will describe some recent work that addresses these competing effects in the context of a solvable model of a metallic quantum critical point. I will show that the two effects - namely the enhanced pairing and the destruction of Landau quasiparticles - can offset one another, resulting in stable ''naked'' quantum critical points without superconductivity. However, the resulting quantum critical metal exhibits strong superconducting fluctuations on all length scales. Reference: S.R., Gonzalo Torroba, and Huajia Wang, arXiv1507.06652, PRB(2015).

Development and Demonstration of a Computational Tool for the Analysis of Particle Vitiation Effects in Hypersonic Propulsion Test Facilities

NASA Technical Reports Server (NTRS)

Perkins, Hugh Douglas

2010-01-01

In order to improve the understanding of particle vitiation effects in hypersonic propulsion test facilities, a quasi-one dimensional numerical tool was developed to efficiently model reacting particle-gas flows over a wide range of conditions. Features of this code include gas-phase finite-rate kinetics, a global porous-particle combustion model, mass, momentum and energy interactions between phases, and subsonic and supersonic particle drag and heat transfer models. The basic capabilities of this tool were validated against available data or other validated codes. To demonstrate the capabilities of the code a series of computations were performed for a model hypersonic propulsion test facility and scramjet. Parameters studied were simulated flight Mach number, particle size, particle mass fraction and particle material.

Development of an Anatomically Accurate Finite Element Human Ocular Globe Model for Blast-Related Fluid-Structure Interaction Studies

DTIC Science & Technology

2017-02-01

ARL-TR-7945 ● FEB 2017 US Army Research Laboratory Development of an Anatomically Accurate Finite Element Human Ocular Globe...ARL-TR-7945 ● FEB 2017 US Army Research Laboratory Development of an Anatomically Accurate Finite Element Human Ocular Globe Model... Finite Element Human Ocular Globe Model for Blast-Related Fluid-Structure Interaction Studies 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM

Absence of a charge diffusion pole at finite energies in an exactly solvable interacting flat-band model in d dimensions

NASA Astrophysics Data System (ADS)

Phillips, Philip W.; Setty, Chandan; Zhang, Shuyi

2018-05-01

Motivated by recent bounds for charge diffusion in critical matter, we investigate the following question: What sets the scale for the velocity for diffusing degrees of freedom in a scale-invariant system? To make our statements precise, we analyze the diffusion pole in an exactly solvable model for a Mott transition in the presence of a long-range interaction term. To achieve scale invariance, we limit our discussion to the flat-band regime. We find in this limit that the diffusion pole, which would normally obtain at finite energy, is pushed to zero energy, resulting in a vanishing of the diffusion constant. This occurs even in the presence of interactions in certain limits, indicating the robustness of this result to the inclusion of a scale in the problem. Consequently, scale invariance precludes any reasonable definition of the diffusion constant. Nonetheless, we do find that a scale can be defined, albeit irrelevant to diffusion, which is the product of the squared band velocity and the density of states.

Direct Observation of Interfacial Dzyaloshinskii-Moriya Interaction from Asymmetric Spin-wave Propagation in W/CoFeB/SiO2 Heterostructures Down to Sub-nanometer CoFeB Thickness

PubMed Central

Chaurasiya, Avinash Kumar; Banerjee, Chandrima; Pan, Santanu; Sahoo, Sourav; Choudhury, Samiran; Sinha, Jaivardhan; Barman, Anjan

2016-01-01

Interfacial Dzyaloshinskii-Moriya interaction (IDMI) is important for its roles in stabilizing the skyrmionic lattice as well as soliton-like domain wall motion leading towards new generation spintronic devices. However, achievement and detection of IDMI is often hindered by various spurious effects. Here, we demonstrate the occurrence of IDMI originating primarily from W/CoFeB interface in technologically important W/CoFeB/SiO2 heterostructures using Brillouin light scattering technique. Due to the presence of IDMI, we observe asymmetry in the peak frequency and linewidth of the spin-wave spectra in the Damon-Eshbach (DE) geometry at finite k wave-vectors. The DMI constant is found to scale as the inverse of CoFeB thickness, over the whole studied thickness range, confirming the presence of IDMI in our system without any extrinsic effects. Importantly, the W/CoFeB interface shows no degradation down to sub-nanometer CoFeB thickness, which would be useful for devices that aim to use pronounced interface effects. PMID:27586260

Horizontal fields generated by return strokes

NASA Technical Reports Server (NTRS)

Cooray, Vernon

1991-01-01

Horizontal fields generated by return strokes play an important role in the interaction of lightning generated electric fields with power lines. In many of the recent investigations on the interaction of lightning electromagnetic fields with power lines, the horizontal field was calculated by employing the expression for the tilt of the electric field of a plane wave propagating over finitely conducting earth. The method is suitable for calculating horizontal fields generated by return strokes at distances as close as 200m. At these close ranges, the use of the wavetilt expression can cause large errors.

Criticality of the electron-nucleus cusp condition to local effective potential-energy theories

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

Pan Xiaoyin; Sahni, Viraht; Graduate School of the City University of New York, 360 Fifth Avenue, New York, New York 10016

2003-01-01

Local(multiplicative) effective potential energy-theories of electronic structure comprise the transformation of the Schroedinger equation for interacting Fermi systems to model noninteracting Fermi or Bose systems whereby the equivalent density and energy are obtained. By employing the integrated form of the Kato electron-nucleus cusp condition, we prove that the effective electron-interaction potential energy of these model fermions or bosons is finite at a nucleus. The proof is general and valid for arbitrary system whether it be atomic, molecular, or solid state, and for arbitrary state and symmetry. This then provides justification for all prior work in the literature based on themore » assumption of finiteness of this potential energy at a nucleus. We further demonstrate the criticality of the electron-nucleus cusp condition to such theories by an example of the hydrogen molecule. We show thereby that both model system effective electron-interaction potential energies, as determined from densities derived from accurate wave functions, will be singular at the nucleus unless the wave function satisfies the electron-nucleus cusp condition.« less

The quest for novel modes of excitation in exotic nuclei

NASA Astrophysics Data System (ADS)

Paar, N.

2010-06-01

This paper provides an insight into several open problems in the quest for novel modes of excitation in nuclei with isospin asymmetry, deformation and finite-temperature characteristics in stellar environments. Major unsolved problems include the nature of pygmy dipole resonances, the quest for various multipole and spin-isospin excitations both in neutron-rich and proton drip-line nuclei mainly driven by loosely bound nucleons, excitations in unstable deformed nuclei and evolution of their properties with the shape phase transition. Exotic modes of excitation in nuclei at finite temperatures characteristic of supernova evolution present open problems with a possible impact in modeling astrophysically relevant weak interaction rates. All these issues challenge self-consistent many-body theory frameworks at the frontiers of on-going research, including nuclear energy density functionals, both phenomenological and constrained by the strong interaction physics of QCD, models based on low-momentum two-nucleon interaction Vlow-k and correlated realistic nucleon-nucleon interaction VUCOM, supplemented by three-body force, as well as two-nucleon and three-nucleon interactions derived from the chiral effective field theory. Joined theoretical and experimental efforts, including research with radioactive isotope beams, are needed to provide insight into dynamical properties of nuclei away from the valley of stability, involving the interplay of isospin asymmetry, deformation and finite temperature.

A comprehensive model to determine the effects of temperature and species fluctuations on reaction rates in turbulent reacting flows

NASA Technical Reports Server (NTRS)

Chinitz, W.

1986-01-01

A computationally-viable model describing the interaction between fluid-mechanical turbulence and finite-rate combustion reactions, principally in high-speed flows was developed. Chemical kinetic mechanisms, complete and global, were developed describing the finite rate reaction of fuels of interest to NASA. These fuels included principally hydrogen and silane, although a limited amount of work involved hydrocarbon fuels as well.

Charging and hybridization in the finite cluster model

NASA Technical Reports Server (NTRS)

Bauschlicher, C. W., Jr.; Bagus, P. S.; Nelin, C. J.

1984-01-01

Cluster wavefunctions which have appropriate hybridization and polarization lead to reasonable properties for the interaction of an adsorbate with a solid surface. However, for Al clusters, it was found that the atomic change distribution is not uniform. The finite cluster size leads to changes not representative for an extended system. This effect appears to be dependent on the particular materials being studied; it does not occur in all cases.

Andreev spectrum with high spin-orbit interactions: Revealing spin splitting and topologically protected crossings

NASA Astrophysics Data System (ADS)

Murani, A.; Chepelianskii, A.; Guéron, S.; Bouchiat, H.

2017-10-01

In order to point out experimentally accessible signatures of spin-orbit interaction, we investigate numerically the Andreev spectrum of a multichannel mesoscopic quantum wire (N) with high spin-orbit interaction coupled to superconducting electrodes (S), contrasting topological and nontopological behaviors. In the nontopological case (square lattice with Rashba interactions), we find that the Kramers degeneracy of Andreev levels is lifted by a phase difference between the S reservoirs except at multiples of π , when the normal quantum wires can host several conduction channels. The level crossings at these points invariant by time-reversal symmetry are not lifted by disorder. Whereas the dc Josephson current is insensitive to these level crossings, the high-frequency admittance (susceptibility) at finite temperature reveals these level crossings and the lifting of their degeneracy at π by a small Zeeman field. We have also investigated the hexagonal lattice with intrinsic spin-orbit interaction in the range of parameters where it is a two-dimensional topological insulator with one-dimensional helical edges protected against disorder. Nontopological superconducting contacts can induce topological superconductivity in this system characterized by zero-energy level crossing of Andreev levels. Both Josephson current and finite-frequency admittance carry then very specific signatures at low temperature of this disorder-protected Andreev level crossing at π and zero energy.

Landau parameters for energy density functionals generated by local finite-range pseudopotentials

NASA Astrophysics Data System (ADS)

Idini, A.; Bennaceur, K.; Dobaczewski, J.

2017-06-01

In Landau theory of Fermi liquids, the particle-hole interaction near the Fermi energy in different spin-isospin channels is probed in terms of an expansion over the Legendre polynomials. This provides a useful and efficient way to constrain properties of nuclear energy density functionals in symmetric nuclear matter and finite nuclei. In this study, we present general expressions for Landau parameters corresponding to a two-body central local regularized pseudopotential. We also show results obtained for two recently adjusted NLO and N2LO parametrizations. Such pseudopotentials will be used to determine mean-field and beyond-mean-field properties of paired nuclei across the entire nuclear chart.

Distribution of Steps with Finite-Range Interactions: Analytic Approximations and Numerical Results

NASA Astrophysics Data System (ADS)

GonzáLez, Diego Luis; Jaramillo, Diego Felipe; TéLlez, Gabriel; Einstein, T. L.

2013-03-01

While most Monte Carlo simulations assume only nearest-neighbor steps interact elastically, most analytic frameworks (especially the generalized Wigner distribution) posit that each step elastically repels all others. In addition to the elastic repulsions, we allow for possible surface-state-mediated interactions. We investigate analytically and numerically how next-nearest neighbor (NNN) interactions and, more generally, interactions out to q'th nearest neighbor alter the form of the terrace-width distribution and of pair correlation functions (i.e. the sum over n'th neighbor distribution functions, which we investigated recently.[2] For physically plausible interactions, we find modest changes when NNN interactions are included and generally negligible changes when more distant interactions are allowed. We discuss methods for extracting from simulated experimental data the characteristic scale-setting terms in assumed potential forms.

Carnot cycle at finite power: attainability of maximal efficiency.

PubMed

Allahverdyan, Armen E; Hovhannisyan, Karen V; Melkikh, Alexey V; Gevorkian, Sasun G

2013-08-02

We want to understand whether and to what extent the maximal (Carnot) efficiency for heat engines can be reached at a finite power. To this end we generalize the Carnot cycle so that it is not restricted to slow processes. We show that for realistic (i.e., not purposefully designed) engine-bath interactions, the work-optimal engine performing the generalized cycle close to the maximal efficiency has a long cycle time and hence vanishing power. This aspect is shown to relate to the theory of computational complexity. A physical manifestation of the same effect is Levinthal's paradox in the protein folding problem. The resolution of this paradox for realistic proteins allows to construct engines that can extract at a finite power 40% of the maximally possible work reaching 90% of the maximal efficiency. For purposefully designed engine-bath interactions, the Carnot efficiency is achievable at a large power.

Finite-Momentum Dimer Bound State in Spin-Orbit Coupled Fermi Gas

NASA Astrophysics Data System (ADS)

Dong, Lin; Jiang, Lei; Hu, Hui; Pu, Han

2013-03-01

We investigate the two-body properties of a spin-1/2 Fermi gas subject to a spin-orbit coupling induced by laser fields. When attractive s-wave interaction between unlike spins is present, the system may form a dimer bound state. Surprisingly, under proper conditions, the bound state obtains finite center-of-mass momentum, whereas under the same condition but in the absence of the two-body interaction, the system has zero total momentum. This unusual result can be regarded as a consequence of the broken Galilean invariance by the spin-orbit coupling. Such a finite-momentum bound state will have profound effects on the many-body properties of the system. HP is supported by the NSF, the Welch Foundation (Grant No. C-1669), and DARPA. HH is supported by the ARC Discovery Projects (Grant No. DP0984522) and the National Basic Research Program of China (NFRP-China, Grant No. 2011CB921502).

Biology-Culture Co-evolution in Finite Populations.

PubMed

de Boer, Bart; Thompson, Bill

2018-01-19

Language is the result of two concurrent evolutionary processes: biological and cultural inheritance. An influential evolutionary hypothesis known as the moving target problem implies inherent limitations on the interactions between our two inheritance streams that result from a difference in pace: the speed of cultural evolution is thought to rule out cognitive adaptation to culturally evolving aspects of language. We examine this hypothesis formally by casting it as as a problem of adaptation in time-varying environments. We present a mathematical model of biology-culture co-evolution in finite populations: a generalisation of the Moran process, treating co-evolution as coupled non-independent Markov processes, providing a general formulation of the moving target hypothesis in precise probabilistic terms. Rapidly varying culture decreases the probability of biological adaptation. However, we show that this effect declines with population size and with stronger links between biology and culture: in realistically sized finite populations, stochastic effects can carry cognitive specialisations to fixation in the face of variable culture, especially if the effects of those specialisations are amplified through cultural evolution. These results support the view that language arises from interactions between our two major inheritance streams, rather than from one primary evolutionary process that dominates another.

Effect of Finite Computational Domain on Turbulence Scaling Law in Both Physical and Spectral Spaces

NASA Technical Reports Server (NTRS)

Hou, Thomas Y.; Wu, Xiao-Hui; Chen, Shiyi; Zhou, Ye

1998-01-01

The well-known translation between the power law of energy spectrum and that of the correlation function or the second order structure function has been widely used in analyzing random data. Here, we show that the translation is valid only in proper scaling regimes. The regimes of valid translation are different for the correlation function and the structure function. Indeed, they do not overlap. Furthermore, in practice, the power laws exist only for a finite range of scales. We show that this finite range makes the translation inexact even in the proper scaling regime. The error depends on the scaling exponent. The current findings are applicable to data analysis in fluid turbulence and other stochastic systems.

A stochastic-field description of finite-size spiking neural networks

PubMed Central

Longtin, André

2017-01-01

Neural network dynamics are governed by the interaction of spiking neurons. Stochastic aspects of single-neuron dynamics propagate up to the network level and shape the dynamical and informational properties of the population. Mean-field models of population activity disregard the finite-size stochastic fluctuations of network dynamics and thus offer a deterministic description of the system. Here, we derive a stochastic partial differential equation (SPDE) describing the temporal evolution of the finite-size refractory density, which represents the proportion of neurons in a given refractory state at any given time. The population activity—the density of active neurons per unit time—is easily extracted from this refractory density. The SPDE includes finite-size effects through a two-dimensional Gaussian white noise that acts both in time and along the refractory dimension. For an infinite number of neurons the standard mean-field theory is recovered. A discretization of the SPDE along its characteristic curves allows direct simulations of the activity of large but finite spiking networks; this constitutes the main advantage of our approach. Linearizing the SPDE with respect to the deterministic asynchronous state allows the theoretical investigation of finite-size activity fluctuations. In particular, analytical expressions for the power spectrum and autocorrelation of activity fluctuations are obtained. Moreover, our approach can be adapted to incorporate multiple interacting populations and quasi-renewal single-neuron dynamics. PMID:28787447

Fluid-structure interaction in fast breeder reactors

NASA Astrophysics Data System (ADS)

Mitra, A. A.; Manik, D. N.; Chellapandi, P. A.

2004-05-01

A finite element model for the seismic analysis of a scaled down model of Fast breeder reactor (FBR) main vessel is proposed to be established. The reactor vessel, which is a large shell structure with a relatively thin wall, contains a large volume of sodium coolant. Therefore, the fluid structure interaction effects must be taken into account in the seismic design. As part of studying fluid-structure interaction, the fundamental frequency of vibration of a circular cylindrical shell partially filled with a liquid has been estimated using Rayleigh's method. The bulging and sloshing frequencies of the first four modes of the aforementioned system have been estimated using the Rayleigh-Ritz method. The finite element formulation of the axisymmetric fluid element with Fourier option (required due to seismic loading) is also presented.

Study on fluid-structure interaction in liquid oxygen feeding pipe systems using finite volume method

NASA Astrophysics Data System (ADS)

Wei, Xin; Sun, Bing

2011-10-01

The fluid-structure interaction may occur in space launch vehicles, which would lead to bad performance of vehicles, damage equipments on vehicles, or even affect astronauts' health. In this paper, analysis on dynamic behavior of liquid oxygen (LOX) feeding pipe system in a large scale launch vehicle is performed, with the effect of fluid-structure interaction (FSI) taken into consideration. The pipe system is simplified as a planar FSI model with Poisson coupling and junction coupling. Numerical tests on pipes between the tank and the pump are solved by the finite volume method. Results show that restrictions weaken the interaction between axial and lateral vibrations. The reasonable results regarding frequencies and modes indicate that the FSI affects substantially the dynamic analysis, and thus highlight the usefulness of the proposed model. This study would provide a reference to the pipe test, as well as facilitate further studies on oscillation suppression.

Axial deformed solution of the Skyrme-Hartree-Fock-Bogolyubov equations using the transformed harmonic oscillator Basis

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

Perez, R. Navarro; Schunck, N.; Lasseri, R.

2017-03-09

HFBTHO is a physics computer code that is used to model the structure of the nucleus. It is an implementation of the nuclear energy Density Functional Theory (DFT), where the energy of the nucleus is obtained by integration over space of some phenomenological energy density, which is itself a functional of the neutron and proton densities. In HFBTHO, the energy density derives either from the zero-range Dkyrme or the finite-range Gogny effective two-body interaction between nucleons. Nuclear superfluidity is treated at the Hartree-Fock-Bogoliubov (HFB) approximation, and axial-symmetry of the nuclear shape is assumed. This version is the 3rd release ofmore » the program; the two previous versions were published in Computer Physics Communications [1,2]. The previous version was released at LLNL under GPL 3 Open Source License and was given release code LLNL-CODE-573953.« less

A Finite-Difference Time-Domain Model of Artificial Ionospheric Modification

NASA Astrophysics Data System (ADS)

Cannon, Patrick; Honary, Farideh; Borisov, Nikolay

Experiments in the artificial modification of the ionosphere via a radio frequency pump wave have observed a wide range of non-linear phenomena near the reflection height of an O-mode wave. These effects exhibit a strong aspect-angle dependence thought to be associated with the process by which, for a narrow range of off-vertical launch angles, the O-mode pump wave can propagate beyond the standard reflection height at X=1 as a Z-mode wave and excite additional plasma activity. A numerical model based on Finite-Difference Time-Domain method has been developed to simulate the interaction of the pump wave with an ionospheric plasma and investigate different non-linear processes involved in modification experiments. The effects on wave propagation due to plasma inhomogeneity and anisotropy are introduced through coupling of the Lorentz equation of motion for electrons and ions to Maxwell’s wave equations in the FDTD formulation, leading to a model that is capable of exciting a variety of plasma waves including Langmuir and upper-hybrid waves. Additionally, discretized equations describing the time-dependent evolution of the plasma fluid temperature and density are included in the FDTD update scheme. This model is used to calculate the aspect angle dependence and angular size of the radio window for which Z-mode excitation occurs, and the results compared favourably with both theoretical predictions and experimental observations. The simulation results are found to reproduce the angular dependence on electron density and temperature enhancement observed experimentally. The model is used to investigate the effect of different initial plasma density conditions on the evolution of non-linear effects, and demonstrates that the inclusion of features such as small field-aligned density perturbations can have a significant influence on wave propagation and the magnitude of temperature and density enhancements.

Quantum phase transitions in effective spin-ladder models for graphene zigzag nanoribbons

NASA Astrophysics Data System (ADS)

Koop, Cornelie; Wessel, Stefan

2017-10-01

We examine the magnetic correlations in quantum spin models that were derived recently as effective low-energy theories for electronic correlation effects on the edge states of graphene nanoribbons. For this purpose, we employ quantum Monte Carlo simulations to access the large-distance properties, accounting for quantum fluctuations beyond mean-field-theory approaches to edge magnetism. For certain chiral nanoribbons, antiferromagnetic interedge couplings were previously found to induce a gapped quantum disordered ground state of the effective spin model. We find that the extended nature of the intraedge couplings in the effective spin model for zigzag nanoribbons leads to a quantum phase transition at a large, finite value of the interedge coupling. This quantum critical point separates the quantum disordered region from a gapless phase of stable edge magnetism at weak intraedge coupling, which includes the ground states of spin-ladder models for wide zigzag nanoribbons. To study the quantum critical behavior, the effective spin model can be related to a model of two antiferromagnetically coupled Haldane-Shastry spin-half chains with long-ranged ferromagnetic intrachain couplings. The results for the critical exponents are compared also to several recent renormalization-group calculations for related long-ranged interacting quantum systems.

Coupled Structural, Thermal, Phase-Change and Electromagnetic Analysis for Superconductors. Volume 1

NASA Technical Reports Server (NTRS)

Felippa, C. A.; Farhat, C.; Park, K. C.; Militello, C.; Schuler, J. J.

1996-01-01

Described are the theoretical development and computer implementation of reliable and efficient methods for the analysis of coupled mechanical problems that involve the interaction of mechanical, thermal, phase-change and electromagnetic subproblems. The focus application has been the modeling of superconductivity and associated quantum-state phase-change phenomena. In support of this objective the work has addressed the following issues: (1) development of variational principles for finite elements, (2) finite element modeling of the electromagnetic problem, (3) coupling of thermal and mechanical effects, and (4) computer implementation and solution of the superconductivity transition problem. The main accomplishments have been: (1) the development of the theory of parametrized and gauged variational principles, (2) the application of those principled to the construction of electromagnetic, thermal and mechanical finite elements, and (3) the coupling of electromagnetic finite elements with thermal and superconducting effects, and (4) the first detailed finite element simulations of bulk superconductors, in particular the Meissner effect and the nature of the normal conducting boundary layer. The theoretical development is described in two volumes. This volume, Volume 1, describes mostly formulations for specific problems. Volume 2 describes generalization of those formulations.

Thermal effects in supernova matter

NASA Astrophysics Data System (ADS)

Constantinou, Constantinos

A crucial ingredient in simulations of core collapse supernova (SN) explosions is the equation of state (EOS) of nucleonic matter for densities extending from 10-7 fm-3 to 1 ffm-3, temperatures up to 50 MeV, and proton-to-baryon fraction in the range 0 to 1/2. SN explosions release 99% of the progenitor star's gravitational potential energy in the form of neutrinos and, additionally, they are responsible for populating the universe with elements heavier than 56Fe. Therefore, the importance of understanding this phenomenon cannot be overstated as it could shed light onto the underlying nuclear and neutrino physics. A realistic EOS of SN matter must incorporate the nucleon-nucleon interaction in a many-body environment. We treat this problem with a non-relativistic potential model as well as relativistic mean-field theoretical one. In the former approach, we employ the Skyrme-like Hamiltonian density constructed by Akmal, Pandharipande, and Ravenhall which takes into account the long scattering lengths of nucleons that determine the low density characteristics. In the latter, we use a Walecka-like Lagrangian density supplemented by non-linear interactions involving scalar, vector, and isovector meson exchanges, calibrated so that known properties of nuclear matter are reproduced. We focus on the bulk homogeneous phase and calculate its thermodynamic properties as functions of baryon density, temperature, and proton-to-baryon ratio. The exact numerical results are then compared to those in the degenerate and non-degenerate limits for which analytical formulae have been derived. We find that the two models bahave similarly for densities up to nuclear saturation but exhibit differences at higher densities most notably in the isospin susceptibilities, the chemical potentials, and the pressure. The importance of the correct momentum dependence in the single particle potential that fits optical potentials of nucleon-nucleus scattering was highlighted in the context of intermediate energy heavy-ion collisions. To explore the effect momentum-dependent interactions have on the thermal properties of dense matter we study a schematic model constructed by Welke et al. in which the appropriate momentum dependence that fits optical potential data is built through finite-range exchange forces of the Yukawa type. We look into the finite-temperature properties of this model in the context of infinite, isospin-symmetric nucleonic matter. The exact numerical results are compared to analytical ones in the quantum regime where we rely on Landau's Fermi-Liquid Theory, and in the classical regime where the state variables are obtained through a steepest descent calculation. Detailed comparisons with similarly calibrated Skyrme models are also performed. We find that the high-density behavior of the thermal pressure is once again a differentiating feature. We attribute this to the temperature dependence of the energy spectrum of the finite-range and the meson-exchange models which leads to a higher specific heat and thus a lower pressure.

High-Order Finite-Difference Schemes for Numerical Simulation of Hypersonic Boundary-Layer Transition

NASA Astrophysics Data System (ADS)

Zhong, Xiaolin

1998-08-01

Direct numerical simulation (DNS) has become a powerful tool in studying fundamental phenomena of laminar-turbulent transition of high-speed boundary layers. Previous DNS studies of supersonic and hypersonic boundary layer transition have been limited to perfect-gas flow over flat-plate boundary layers without shock waves. For hypersonic boundary layers over realistic blunt bodies, DNS studies of transition need to consider the effects of bow shocks, entropy layers, surface curvature, and finite-rate chemistry. It is necessary that numerical methods for such studies are robust and high-order accurate both in resolving wide ranges of flow time and length scales and in resolving the interaction between the bow shocks and flow disturbance waves. This paper presents a new high-order shock-fitting finite-difference method for the DNS of the stability and transition of hypersonic boundary layers over blunt bodies with strong bow shocks and with (or without) thermo-chemical nonequilibrium. The proposed method includes a set of new upwind high-order finite-difference schemes which are stable and are less dissipative than a straightforward upwind scheme using an upwind-bias grid stencil, a high-order shock-fitting formulation, and third-order semi-implicit Runge-Kutta schemes for temporal discretization of stiff reacting flow equations. The accuracy and stability of the new schemes are validated by numerical experiments of the linear wave equation and nonlinear Navier-Stokes equations. The algorithm is then applied to the DNS of the receptivity of hypersonic boundary layers over a parabolic leading edge to freestream acoustic disturbances.

Michael Sprague | NREL

Science.gov Websites

student, he developed a parallel spectral finite element method for treating the interaction of large mechanics of fluids, structures, and their interaction|Spectral finite-element methods for time-dependent

Effects of large vessel on temperature distribution based on photothermal coupling interaction model

NASA Astrophysics Data System (ADS)

Li, Zhifang; Zhang, Xiyang; Li, Zuoran; Li, Hui

2016-10-01

This paper is based on the finite element analysis method for studying effects of large blood vessel on temperature based on photothermal coupling interaction model, and it couples the physical field of optical transmission with the physical field of heat transfer in biological tissue by using COMSOL Multiphysics 4.4 software. The results demonstrate the cooling effect of large blood vessel, which can be potential application for the treatment of liver tumors.

Front propagation and clustering in the stochastic nonlocal Fisher equation

NASA Astrophysics Data System (ADS)

Ganan, Yehuda A.; Kessler, David A.

2018-04-01

In this work, we study the problem of front propagation and pattern formation in the stochastic nonlocal Fisher equation. We find a crossover between two regimes: a steadily propagating regime for not too large interaction range and a stochastic punctuated spreading regime for larger ranges. We show that the former regime is well described by the heuristic approximation of the system by a deterministic system where the linear growth term is cut off below some critical density. This deterministic system is seen not only to give the right front velocity, but also predicts the onset of clustering for interaction kernels which give rise to stable uniform states, such as the Gaussian kernel, for sufficiently large cutoff. Above the critical cutoff, distinct clusters emerge behind the front. These same features are present in the stochastic model for sufficiently small carrying capacity. In the latter, punctuated spreading, regime, the population is concentrated on clusters, as in the infinite range case, which divide and separate as a result of the stochastic noise. Due to the finite interaction range, if a fragment at the edge of the population separates sufficiently far, it stabilizes as a new cluster, and the processes begins anew. The deterministic cutoff model does not have this spreading for large interaction ranges, attesting to its purely stochastic origins. We show that this mode of spreading has an exponentially small mean spreading velocity, decaying with the range of the interaction kernel.

Front propagation and clustering in the stochastic nonlocal Fisher equation.

PubMed

Ganan, Yehuda A; Kessler, David A

2018-04-01

In this work, we study the problem of front propagation and pattern formation in the stochastic nonlocal Fisher equation. We find a crossover between two regimes: a steadily propagating regime for not too large interaction range and a stochastic punctuated spreading regime for larger ranges. We show that the former regime is well described by the heuristic approximation of the system by a deterministic system where the linear growth term is cut off below some critical density. This deterministic system is seen not only to give the right front velocity, but also predicts the onset of clustering for interaction kernels which give rise to stable uniform states, such as the Gaussian kernel, for sufficiently large cutoff. Above the critical cutoff, distinct clusters emerge behind the front. These same features are present in the stochastic model for sufficiently small carrying capacity. In the latter, punctuated spreading, regime, the population is concentrated on clusters, as in the infinite range case, which divide and separate as a result of the stochastic noise. Due to the finite interaction range, if a fragment at the edge of the population separates sufficiently far, it stabilizes as a new cluster, and the processes begins anew. The deterministic cutoff model does not have this spreading for large interaction ranges, attesting to its purely stochastic origins. We show that this mode of spreading has an exponentially small mean spreading velocity, decaying with the range of the interaction kernel.

Numerical solutions of 2-D multi-stage rotor/stator unsteady flow interactions

NASA Astrophysics Data System (ADS)

Yang, R.-J.; Lin, S.-J.

1991-01-01

The Rai method of single-stage rotor/stator flow interaction is extended to handle multistage configurations. In this study, a two-dimensional Navier-Stokes multi-zone approach was used to investigate unsteady flow interactions within two multistage axial turbines. The governing equations are solved by an iterative, factored, implicit finite-difference, upwind algorithm. Numerical accuracy is checked by investigating the effect of time step size, the effect of subiteration in the Newton-Raphson technique, and the effect of full viscous versus thin-layer approximation. Computer results compared well with experimental data. Unsteady flow interactions, wake cutting, and the associated evolution of vortical entities are discussed.

Decay of Bogoliubov excitations in one-dimensional Bose gases

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

Ristivojevic, Zoran; Matveev, K. A.

For this research, we study the decay of Bogoliubov quasiparticles in one-dimensional Bose gases. Starting from the hydrodynamic Hamiltonian, we develop a microscopic theory that enables one to systematically study both the excitations and their decay. At zero temperature, the leading mechanism of decay of a quasiparticle is disintegration into three others. We find that low-energy quasiparticles (phonons) decay with the rate that scales with the seventh power of momentum, whereas the rate of decay of the high-energy quasiparticles does not depend on momentum. In addition, our approach allows us to study analytically the quasiparticle decay in the whole crossovermore » region between the two limiting cases. When applied to integrable models, including the Lieb-Liniger model of bosons with contact repulsion, our theory confirms the absence of the decay of quasiparticle excitations. Finally, we account for two types of integrability-breaking perturbations that enable finite decay: three-body interaction between the bosons and two-body interaction of finite range.« less

Decay of Bogoliubov excitations in one-dimensional Bose gases

DOE PAGES

Ristivojevic, Zoran; Matveev, K. A.

2016-07-11

For this research, we study the decay of Bogoliubov quasiparticles in one-dimensional Bose gases. Starting from the hydrodynamic Hamiltonian, we develop a microscopic theory that enables one to systematically study both the excitations and their decay. At zero temperature, the leading mechanism of decay of a quasiparticle is disintegration into three others. We find that low-energy quasiparticles (phonons) decay with the rate that scales with the seventh power of momentum, whereas the rate of decay of the high-energy quasiparticles does not depend on momentum. In addition, our approach allows us to study analytically the quasiparticle decay in the whole crossovermore » region between the two limiting cases. When applied to integrable models, including the Lieb-Liniger model of bosons with contact repulsion, our theory confirms the absence of the decay of quasiparticle excitations. Finally, we account for two types of integrability-breaking perturbations that enable finite decay: three-body interaction between the bosons and two-body interaction of finite range.« less

Hamiltonian structure of classical N-body systems of finite-size particles subject to EM interactions

NASA Astrophysics Data System (ADS)

Cremaschini, C.; Tessarotto, M.

2012-01-01

An open issue in classical relativistic mechanics is the consistent treatment of the dynamics of classical N-body systems of mutually interacting particles. This refers, in particular, to charged particles subject to EM interactions, including both binary interactions and self-interactions ( EM-interacting N- body systems). The correct solution to the question represents an overriding prerequisite for the consistency between classical and quantum mechanics. In this paper it is shown that such a description can be consistently obtained in the context of classical electrodynamics, for the case of a N-body system of classical finite-size charged particles. A variational formulation of the problem is presented, based on the N -body hybrid synchronous Hamilton variational principle. Covariant Lagrangian and Hamiltonian equations of motion for the dynamics of the interacting N-body system are derived, which are proved to be delay-type ODEs. Then, a representation in both standard Lagrangian and Hamiltonian forms is proved to hold, the latter expressed by means of classical Poisson Brackets. The theory developed retains both the covariance with respect to the Lorentz group and the exact Hamiltonian structure of the problem, which is shown to be intrinsically non-local. Different applications of the theory are investigated. The first one concerns the development of a suitable Hamiltonian approximation of the exact equations that retains finite delay-time effects characteristic of the binary interactions and self-EM-interactions. Second, basic consequences concerning the validity of Dirac generator formalism are pointed out, with particular reference to the instant-form representation of Poincaré generators. Finally, a discussion is presented both on the validity and possible extension of the Dirac generator formalism as well as the failure of the so-called Currie "no-interaction" theorem for the non-local Hamiltonian system considered here.

Finite-range Coulomb gas models of banded random matrices and quantum kicked rotors

NASA Astrophysics Data System (ADS)

Pandey, Akhilesh; Kumar, Avanish; Puri, Sanjay

2017-11-01

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

Finite-range Coulomb gas models of banded random matrices and quantum kicked rotors.

PubMed

Pandey, Akhilesh; Kumar, Avanish; Puri, Sanjay

2017-11-01

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

Towards a theory of cortical columns: From spiking neurons to interacting neural populations of finite size.

PubMed

Schwalger, Tilo; Deger, Moritz; Gerstner, Wulfram

2017-04-01

Neural population equations such as neural mass or field models are widely used to study brain activity on a large scale. However, the relation of these models to the properties of single neurons is unclear. Here we derive an equation for several interacting populations at the mesoscopic scale starting from a microscopic model of randomly connected generalized integrate-and-fire neuron models. Each population consists of 50-2000 neurons of the same type but different populations account for different neuron types. The stochastic population equations that we find reveal how spike-history effects in single-neuron dynamics such as refractoriness and adaptation interact with finite-size fluctuations on the population level. Efficient integration of the stochastic mesoscopic equations reproduces the statistical behavior of the population activities obtained from microscopic simulations of a full spiking neural network model. The theory describes nonlinear emergent dynamics such as finite-size-induced stochastic transitions in multistable networks and synchronization in balanced networks of excitatory and inhibitory neurons. The mesoscopic equations are employed to rapidly integrate a model of a cortical microcircuit consisting of eight neuron types, which allows us to predict spontaneous population activities as well as evoked responses to thalamic input. Our theory establishes a general framework for modeling finite-size neural population dynamics based on single cell and synapse parameters and offers an efficient approach to analyzing cortical circuits and computations.

Asymptotic analysis of numerical wave propagation in finite difference equations

NASA Technical Reports Server (NTRS)

Giles, M.; Thompkins, W. T., Jr.

1983-01-01

An asymptotic technique is developed for analyzing the propagation and dissipation of wave-like solutions to finite difference equations. It is shown that for each fixed complex frequency there are usually several wave solutions with different wavenumbers and the slowly varying amplitude of each satisfies an asymptotic amplitude equation which includes the effects of smoothly varying coefficients in the finite difference equations. The local group velocity appears in this equation as the velocity of convection of the amplitude. Asymptotic boundary conditions coupling the amplitudes of the different wave solutions are also derived. A wavepacket theory is developed which predicts the motion, and interaction at boundaries, of wavepackets, wave-like disturbances of finite length. Comparison with numerical experiments demonstrates the success and limitations of the theory. Finally an asymptotic global stability analysis is developed.

Highlighting non-uniform temperatures close to liquid/solid surfaces

NASA Astrophysics Data System (ADS)

Noirez, L.; Baroni, P.; Bardeau, J. F.

2017-05-01

The present experimental measurements reveal that similar to external fields such as electric, magnetic, or flow fields, the vicinity of a solid surface can preclude the liquid molecules from relaxing to equilibrium, generating located non-uniform temperatures. The non-uniform temperature zone extends up to several millimeters within the liquid with a lower temperature near the solid wall (reaching ΔT = -0.15 °C ± 0.02 °C in the case of liquid water) counterbalanced at larger distances by a temperature rise. These effects highlighted by two independent methods (thermistor measurement and infra-red emissivity) are particularly pronounced for highly wetting surfaces. The scale over which non-uniform temperatures are extended indicates that the effect is assisted by intermolecular interactions, in agreement with recent developments showing that liquids possess finite shear elasticity and theoretical approaches integrating long range correlations.

DYNA3D: A computer code for crashworthiness engineering

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

Hallquist, J.O.; Benson, D.J.

1986-09-01

A finite element program with crashworthiness applications has been developed at LLNL. DYNA3D, an explicit, fully vectorized, finite deformation structural dynamics program, has four capabilities that are critical for the efficient and realistic modeling crash phenomena: (1) fully optimized nonlinear solid, shell, and beam elements for representing a structure; (2) a broad range of constitutive models for simulating material behavior; (3) sophisticated contact algorithms for impact interactions; (4) a rigid body capability to represent the bodies away from the impact region at a greatly reduced cost without sacrificing accuracy in the momentum calculations. Basic methodologies of the program are brieflymore » presented along with several crashworthiness calculations. Efficiencies of the Hughes-Liu and Belytschko-Tsay shell formulations are considered.« less

High Explosive Detonation-Confiner Interactions

NASA Astrophysics Data System (ADS)

Short, Mark; Quirk, James J.

2018-01-01

The primary purpose of a detonation in a high explosive (HE) is to provide the energy to drive a surrounding confiner, typically for mining or munitions applications. The details of the interaction between an HE detonation and its confinement are essential to achieving the objectives of the explosive device. For the high pressures induced by detonation loading, both the solid HE and confiner materials will flow. The structure and speed of a propagating detonation, and ultimately the pressures generated in the reaction zone to drive the confiner, depend on the induced flow both within the confiner and along the HE-confiner material interface. The detonation-confiner interactions are heavily influenced by the material properties and, in some cases, the thickness of the confiner. This review discusses the use of oblique shock polar analysis as a means of characterizing the possible range of detonation-confiner interactions. Computations that reveal the fluid mechanics of HE detonation-confiner interactions for finite reaction-zone length detonations are discussed and compared with the polar analysis. This includes cases of supersonic confiner flow; subsonic, shock-driven confiner flow; subsonic, but shockless confiner flow; and sonic flow at the intersection of the detonation shock and confiner material interface. We also summarize recent developments, including the effects of geometry and porous material confinement, on detonation-confiner interactions.

Physical adsorption at the nanoscale: Towards controllable scaling of the substrate-adsorbate van der Waals interaction

NASA Astrophysics Data System (ADS)

Ambrosetti, Alberto; Silvestrelli, Pier Luigi; Tkatchenko, Alexandre

2017-06-01

The Lifshitz-Zaremba-Kohn (LZK) theory is commonly considered as the correct large-distance limit for the van der Waals (vdW) interaction of adsorbates (atoms, molecules, or nanoparticles) with solid substrates. In the standard approximate form, implicitly based on local dielectric functions, the LZK approach predicts universal power laws for vdW interactions depending only on the dimensionality of the interacting objects. However, recent experimental findings are challenging the universality of this theoretical approach at finite distances of relevance for nanoscale assembly. Here, we present a combined analytical and numerical many-body study demonstrating that physical adsorption can be significantly enhanced at the nanoscale. Regardless of the band gap or the nature of the adsorbate specie, we find deviations from conventional LZK power laws that extend to separation distances of up to 10-20 nm. Comparison with recent experimental observations of ultra-long-ranged vdW interactions in the delamination of graphene from a silicon substrate reveals qualitative agreement with the present theory. The sensitivity of vdW interactions to the substrate response and to the adsorbate characteristic excitation frequency also suggests that adsorption strength can be effectively tuned in experiments, paving the way to an improved control of physical adsorption at the nanoscale.

Efimov states near a Feshbach resonance and the limits of van der Waals universality at finite background scattering length

NASA Astrophysics Data System (ADS)

Langmack, Christian; Schmidt, Richard; Zwerger, Wilhelm

2018-03-01

We calculate the spectrum of three-body Efimov bound states near a Feshbach resonance within a model which accounts both for the finite range of interactions and the presence of background scattering. The latter may be due to direct interactions in an open channel or a second overlapping Feshbach resonance. It is found that background scattering gives rise to substantial changes in the trimer spectrum as a function of the detuning away from a Feshbach resonance, in particular in the regime where the background channel supports Efimov states on its own. Compared to the situation with negligible background scattering, the regime where van der Waals universality applies is shifted to larger values of the resonance strength if the background scattering length is positive. For negative background scattering lengths, in turn, van der Waals universality extends to even small values of the resonance strength parameter, consistent with experimental results on Efimov states in 39K. Within a simple model, we show that short-range three-body forces do not affect van der Waals universality significantly. Repulsive three-body forces may, however, explain the observed variation between around -8 and -10 of the ratio between the scattering length where the first Efimov trimer appears and the van der Waals length.

Density functional study of the 13C NMR chemical shifts in small-to-medium-diameter infinite single-walled carbon nanotubes.

PubMed

Zurek, Eva; Pickard, Chris J; Walczak, Brian; Autschbach, Jochen

2006-11-02

NMR chemical shifts were calculated for semiconducting (n,0) single-walled carbon nanotubes (SWNTs) with n ranging from 7 to 17. Infinite isolated SWNTs were calculated using a gauge-including projector-augmented plane-wave (GIPAW) approach with periodic boundary conditions and density functional theory (DFT). In order to minimize intertube interactions in the GIPAW computations, an intertube distance of 8 A was chosen. For the infinite tubes, we found a chemical shift range of over 20 ppm for the systems considered here. The SWNT family with lambda = mod(n, 3) = 0 has much smaller chemical shifts compared to the other two families with lambda = 1 and lambda = 2. For all three families, the chemical shifts decrease roughly inversely proportional to the tube's diameter. The results were compared to calculations of finite capped SWNT fragments using a gauge-including atomic orbital (GIAO) basis. Direct comparison of the two types of calculations could be made if benzene was used as the internal (computational) reference. The NMR chemical shifts of finite SWNTs were found to converge very slowly, if at all, to the infinite limit, indicating that capping has a strong effect (at least for the (9,0) tubes) on the calculated properties. Our results suggest that (13)C NMR has the potential for becoming a useful tool in characterizing SWNT samples.

Problems in nonlinear acoustics: Pulsed finite amplitude sound beams, nonlinear acoustic wave propagation in a liquid layer, nonlinear effects in asymmetric cylindrical sound beams, effects of absorption on the interaction of sound beams, and parametric receiving arrays

NASA Astrophysics Data System (ADS)

Hamilton, Mark F.

1990-12-01

This report discusses five projects all of which involve basic theoretical research in nonlinear acoustics: (1) pulsed finite amplitude sound beams are studied with a recently developed time domain computer algorithm that solves the KZK nonlinear parabolic wave equation; (2) nonlinear acoustic wave propagation in a liquid layer is a study of harmonic generation and acoustic soliton information in a liquid between a rigid and a free surface; (3) nonlinear effects in asymmetric cylindrical sound beams is a study of source asymmetries and scattering of sound by sound at high intensity; (4) effects of absorption on the interaction of sound beams is a completed study of the role of absorption in second harmonic generation and scattering of sound by sound; and (5) parametric receiving arrays is a completed study of parametric reception in a reverberant environment.

Effective theory and breakdown of conformal symmetry in a long-range quantum chain

NASA Astrophysics Data System (ADS)

Lepori, L.; Vodola, D.; Pupillo, G.; Gori, G.; Trombettoni, A.

2016-11-01

We deal with the problem of studying the symmetries and the effective theories of long-range models around their critical points. A prominent issue is to determine whether they possess (or not) conformal symmetry (CS) at criticality and how the presence of CS depends on the range of the interactions. To have a model, both simple to treat and interesting, where to investigate these questions, we focus on the Kitaev chain with long-range pairings decaying with distance as power-law with exponent α. This is a quadratic solvable model, yet displaying non-trivial quantum phase transitions. Two critical lines are found, occurring respectively at a positive and a negative chemical potential. Focusing first on the critical line at positive chemical potential, by means of a renormalization group approach we derive its effective theory close to criticality. Our main result is that the effective action is the sum of two terms: a Dirac action SD, found in the short-range Ising universality class, and an "anomalous" CS breaking term SAN. While SD originates from low-energy excitations in the spectrum, SAN originates from the higher energy modes where singularities develop, due to the long-range nature of the model. At criticality SAN flows to zero for α > 2, while for α < 2 it dominates and determines the breakdown of the CS. Out of criticality SAN breaks, in the considered approximation, the effective Lorentz invariance (ELI) for every finite α. As α increases such ELI breakdown becomes less and less pronounced and in the short-range limit α → ∞ the ELI is restored. In order to test the validity of the determined effective theory, we compared the two-fermion static correlation functions and the von Neumann entropy obtained from them with the ones calculated on the lattice, finding agreement. These results explain two observed features characteristic of long-range models, the hybrid decay of static correlation functions within gapped phases and the area-law violation for the von Neumann entropy. The proposed scenario is expected to hold in other long-range models displaying quasiparticle excitations in ballistic regime. From the effective theory one can also see that new phases emerge for α < 1. Finally we show that at every finite α the critical exponents, defined as for the short-range (α → ∞) model, are not altered. This also shows that the long-range paired Kitaev chain provides an example of a long-range model in which the value of α where the CS is broken does not coincide with the value at which the critical exponents start to differ from the ones of the corresponding short-range model. At variance, for the second critical line, having negative chemical potential, only SAN (SD) is present for 1 < α < 2 (for α > 2). Close to this line, where the minimum of the spectrum coincides with the momentum where singularities develop, the critical exponents change where CS is broken.

SPIREs: A Finite-Difference Frequency-Domain electromagnetic solver for inhomogeneous magnetized plasma cylinders

NASA Astrophysics Data System (ADS)

Melazzi, D.; Curreli, D.; Manente, M.; Carlsson, J.; Pavarin, D.

2012-06-01

We present SPIREs (plaSma Padova Inhomogeneous Radial Electromagnetic solver), a Finite-Difference Frequency-Domain (FDFD) electromagnetic solver in one dimension for the rapid calculation of the electromagnetic fields and the deposited power of a large variety of cylindrical plasma problems. The two Maxwell wave equations have been discretized using a staggered Yee mesh along the radial direction of the cylinder, and Fourier transformed along the other two dimensions and in time. By means of this kind of discretization, we have found that mode-coupling of fast and slow branches can be fully resolved without singularity issues that flawed other well-established methods in the past. Fields are forced by an antenna placed at a given distance from the plasma. The plasma can be inhomogeneous, finite-temperature, collisional, magnetized and multi-species. Finite-temperature Maxwellian effects, comprising Landau and cyclotron damping, have been included by means of the plasma Z dispersion function. Finite Larmor radius effects have been neglected. Radial variations of the plasma parameters are taken into account, thus extending the range of applications to a large variety of inhomogeneous plasma systems. The method proved to be fast and reliable, with accuracy depending on the spatial grid size. Two physical examples are reported: fields in a forced vacuum waveguide with the antenna inside, and forced plasma oscillations in the helicon radiofrequency range.

Modeling the absorption spectrum of the permanganate ion in vacuum and in aqueous solution

NASA Astrophysics Data System (ADS)

Olsen, Jógvan Magnus Haugaard; Hedegård, Erik Donovan

The absorption spectrum of the MnO$_{4}$$^{-}$ ion has been a test-bed for quantum-chemical methods over the last decades. Its correct description requires highly-correlated multiconfigurational methods, which are incompatible with the inclusion of finite-temperature and solvent effects due to their high computational demands. Therefore, implicit solvent models are usually employed. Here we show that implicit solvent models are not sufficiently accurate to model the solvent shift of MnO$_{4}$$^{-}$, and we analyze the origins of their failure. We obtain the correct solvent shift for MnO$_{4}$$^{-}$ in aqueous solution by employing the polarizable embedding (PE) model combined with a range-separated complete active space short-range density functional theory method (CAS-srDFT). Finite-temperature effects are taken into account by averaging over structures obtained from ab initio molecular dynamics simulations. The explicit treatment of finite-temperature and solvent effects facilitates the interpretation of the bands in the low-energy region of the MnO$_{4}$$^{-}$ absorption spectrum, whose assignment has been elusive.

Self diffusion of interacting membrane proteins.

PubMed Central

Abney, J R; Scalettar, B A; Owicki, J C

1989-01-01

A two-dimensional version of the generalized Smoluchowski equation is used to analyze the time (or distance) dependent self diffusion of interacting membrane proteins in concentrated membrane systems. This equation provides a well established starting point for descriptions of the diffusion of particles that interact through both direct and hydrodynamic forces; in this initial work only the effects of direct interactions are explicitly considered. Data describing diffusion in the presence of hard-core repulsions, soft repulsions, and soft repulsions with weak attractions are presented. The effect that interactions have on the self-diffusion coefficient of a real protein molecule from mouse liver gap junctions is also calculated. The results indicate that self diffusion is always inhibited by direct interactions; this observation is interpreted in terms of the caging that will exist at finite protein concentration. It is also noted that, over small distance scales, the diffusion coefficient is determined entirely by the very strong Brownian forces; therefore, as a function of displacement the self-diffusion coefficient decays (rapidly) from its value at infinite dilution to its steady-state interaction-averaged value. The steady-state self-diffusion coefficient describes motion over distance scales that range from approximately 10 nm to cellular dimensions and is the quantity measured in fluorescence recovery after photobleaching experiments. The short-ranged behavior of the diffusion coefficient is important on the interparticle-distance scale and may therefore influence the rate at which nearest-neighbor collisional processes take place. The hard-disk theoretical results presented here are in excellent agreement with lattice Monte-Carlo results obtained by other workers. The concentration dependence of experimentally measured diffusion coefficients of antibody-hapten complexes bound to the membrane surface is consistent with that predicted by the theory. The variation in experimental diffusion coefficients of integral membrane proteins is greater than that predicted by the theory, and may also reflect protein-induced perturbations in membrane viscosity. PMID:2720077

Effective Widths of Compression-Loaded Plates With a Cutout

NASA Technical Reports Server (NTRS)

Hilburger, Mark W.; Nemeth, Michael P.; Starnes, James H., Jr.

2000-01-01

A study of the effects of cutouts and laminate construction on the prebuckling and initial postbuckling stiffnesses, and the effective widths of compression-loaded, laminated-composite and aluminum square plates is presented. The effective-width concept is extended to plates with cutouts, and experimental and nonlinear finite-element analysis results are presented. Behavioral trends are compared for seven plate families and for cutout-diameter-to-plate-width ratios up to 0.66. A general compact design curve that can be used to present and compare the effective widths for a wide range of laminate constructions is also presented. A discussion of how the results can be used and extended to include certain types of damage, cracks, and other structural discontinuities or details is given. Several behavioral trends are described that initially appear to be nonintuitive. The results demonstrate a complex interaction between cutout size and plate orthotropy that affects the axial stiffness and effective width of a plate subjected to compression loads.

A Variational Formulation for the Finite Element Analysis of Sound Wave Propagation in a Spherical Shell

NASA Technical Reports Server (NTRS)

Lebiedzik, Catherine

1995-01-01

Development of design tools to furnish optimal acoustic environments for lightweight aircraft demands the ability to simulate the acoustic system on a workstation. In order to form an effective mathematical model of the phenomena at hand, we have begun by studying the propagation of acoustic waves inside closed spherical shells. Using a fully-coupled fluid-structure interaction model based upon variational principles, we have written a finite element analysis program and are in the process of examining several test cases. Future investigations are planned to increase model accuracy by incorporating non-linear and viscous effects.

Nonperturbative Quantum Nature of the Dislocation–Phonon Interaction

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

Li, Mingda; Ding, Zhiwei; Meng, Qingping

Despite the long history of dislocation–phonon interaction studies, there are many problems that have not been fully resolved during this development. These include an incompatibility between a perturbative approach and the long-range nature of a dislocation, the relation between static and dynamic scattering, and their capability of dealing with thermal transport phenomena for bulk material only. Here in this paper, by utilizing a fully quantized dislocation field, which we called a “dislon”, a phonon interacting with a dislocation is renormalized as a quasi-phonon, with shifted quasi-phonon energy, and accompanied by a finite quasi-phonon lifetime, which are reducible to classical results.more » A series of outstanding legacy issues including those above can be directly explained within this unified phonon renormalization approach. For instance, a renormalized phonon naturally resolves the decade-long debate between dynamic and static dislocation–phonon scattering approaches, as two limiting cases. In particular, at nanoscale, both the dynamic and static approaches break down, while the present renormalization approach remains valid by capturing the size effect, showing good agreement with lattice dynamics simulations.« less

Nonperturbative Quantum Nature of the Dislocation–Phonon Interaction

DOE PAGES

Li, Mingda; Ding, Zhiwei; Meng, Qingping; ...

2017-01-31

Despite the long history of dislocation–phonon interaction studies, there are many problems that have not been fully resolved during this development. These include an incompatibility between a perturbative approach and the long-range nature of a dislocation, the relation between static and dynamic scattering, and their capability of dealing with thermal transport phenomena for bulk material only. Here in this paper, by utilizing a fully quantized dislocation field, which we called a “dislon”, a phonon interacting with a dislocation is renormalized as a quasi-phonon, with shifted quasi-phonon energy, and accompanied by a finite quasi-phonon lifetime, which are reducible to classical results.more » A series of outstanding legacy issues including those above can be directly explained within this unified phonon renormalization approach. For instance, a renormalized phonon naturally resolves the decade-long debate between dynamic and static dislocation–phonon scattering approaches, as two limiting cases. In particular, at nanoscale, both the dynamic and static approaches break down, while the present renormalization approach remains valid by capturing the size effect, showing good agreement with lattice dynamics simulations.« less

Competing Grain Boundary and Interior Deformation Mechanisms with Varying Sizes

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

Zhang, Wei; Gao, Yanfei; Nieh, T. G.

In typical coarse-grained alloys, the dominant plastic deformations are dislocation gliding or climbing, and material strengths can be tuned by dislocation interactions with grain boundaries, precipitates, solid solutions, and other defects. With the reduction of grain size, the increase of material strengths follows the classic Hall-Petch relationship up to nano-grained materials. Even at room temperatures, nano-grained materials exhibit strength softening, or called the inverse Hall-Petch effect, as grain boundary processes take over as the dominant deformation mechanisms. On the other hand, at elevated temperatures, grain boundary processes compete with grain interior deformation mechanisms over a wide range of the appliedmore » stress and grain sizes. This book chapter reviews and compares the rate equation model and the microstructure-based finite element simulations. The latter explicitly accounts for the grain boundary sliding, grain boundary diffusion and migration, as well as the grain interior dislocation creep. Therefore the explicit finite element method has clear advantages in problems where microstructural heterogeneities play a critical role, such as in the gradient microstructure in shot peening or weldment. Furthermore, combined with the Hall-Petch effect and its breakdown, the above competing processes help construct deformation mechanism maps by extending from the classic Frost-Ashby type to the ones with the dependence of grain size.« less

An examination of the earthquake behaviour of a retaining wall considering soil-structure interaction

NASA Astrophysics Data System (ADS)

Köktan, Utku; Demir, Gökhan; Kerem Ertek, M.

2017-04-01

The earthquake behavior of retaining walls is commonly calculated with pseudo static approaches based on Mononobe-Okabe method. The seismic ground pressure acting on the retaining wall by the Mononobe-Okabe method does not give a definite idea of the distribution of the seismic ground pressure because it is obtained by balancing the forces acting on the active wedge behind the wall. With this method, wave propagation effects and soil-structure interaction are neglected. The purpose of this study is to examine the earthquake behavior of a retaining wall taking into account the soil-structure interaction. For this purpose, time history seismic analysis of the soil-structure interaction system using finite element method has been carried out considering 3 different soil conditions. Seismic analysis of the soil-structure model was performed according to the earthquake record of "1971, San Fernando Pacoima Dam, 196 degree" existing in the library of MIDAS GTS NX software. The results obtained from the analyses show that the soil-structure interaction is very important for the seismic design of a retaining wall. Keywords: Soil-structure interaction, Finite element model, Retaining wall

Modelling nuclear effects in neutrino scattering

NASA Astrophysics Data System (ADS)

Leitner, T.; Alvarez-Ruso, L.; Mosel, U.

2006-07-01

We have developed a model to describe the interactions of neutrinos with nucleons and nuclei via charged and neutral currents, focusing on the region of the quasielastic and Δ(1232) peaks. For νN collisions a fully relativistic formalism is used. The extension to finite nuclei has been done in the framework of a coupled-channel BUU transport model where we have studied exclusive channels taking into account in-medium effects and final state interactions.

Effects of Verb Familiarity on Finiteness Marking in Children With Specific Language Impairment

PubMed Central

Rice, Mabel L.; Bontempo, Daniel E.

2015-01-01

Purpose Children with specific language impairment (SLI) have known deficits in the verb lexicon and finiteness marking. This study investigated a potential relationship between these 2 variables in children with SLI and 2 control groups considering predictions from 2 different theoretical perspectives, morphosyntactic versus morphophonological. Method Children with SLI, age-equivalent, and language-equivalent (LE) control children (n = 59) completed an experimental sentence imitation task that generated estimates of children's finiteness accuracy under 2 levels of verb familiarity—familiar real verbs versus unfamiliar real verbs—in clausal sites marked for finiteness. Imitations were coded and analyzed for overall accuracy as well as finiteness marking and verb root imitation accuracy. Results Statistical comparisons revealed that children with SLI did not differ from LE children and were less accurate than age-equivalent children on all dependent variables: overall imitation, finiteness marking imitation, and verb root imitation accuracy. A significant Group × Condition interaction for finiteness marking revealed lower levels of accuracy on unfamiliar verbs for the SLI and LE groups only. Conclusions Findings indicate a relationship between verb familiarity and finiteness marking in children with SLI and younger controls and help clarify the roles of morphosyntax, verb lexicon, and morphophonology. PMID:25611349

Size and shape effects on diffusion and absorption of colloidal particles near a partially absorbing sphere: implications for uptake of nanoparticles in animal cells.

PubMed

Shi, Wendong; Wang, Jizeng; Fan, Xiaojun; Gao, Huajian

2008-12-01

A mechanics model describing how a cell membrane with diffusive mobile receptors wraps around a ligand-coated cylindrical or spherical particle has been recently developed to model the role of particle size in receptor-mediated endocytosis. The results show that particles in the size range of tens to hundreds of nanometers can enter cells even in the absence of clathrin or caveolin coats. Here we report further progress on modeling the effects of size and shape in diffusion, interaction, and absorption of finite-sized colloidal particles near a partially absorbing sphere. Our analysis indicates that, from the diffusion and interaction point of view, there exists an optimal hydrodynamic size of particles, typically in the nanometer regime, for the maximum rate of particle absorption. Such optimal size arises as a result of balance between the diffusion constant of the particles and the interaction energy between the particles and the absorbing sphere relative to the thermal energy. Particles with a smaller hydrodynamic radius have larger diffusion constant but weaker interaction with the sphere while larger particles have smaller diffusion constant but stronger interaction with the sphere. Since the hydrodynamic radius is also determined by the particle shape, an optimal hydrodynamic radius implies an optimal size as well as an optimal aspect ratio for a nonspherical particle. These results show broad agreement with experimental observations and may have general implications on interaction between nanoparticles and animal cells.

Size and shape effects on diffusion and absorption of colloidal particles near a partially absorbing sphere: Implications for uptake of nanoparticles in animal cells

NASA Astrophysics Data System (ADS)

Shi, Wendong; Wang, Jizeng; Fan, Xiaojun; Gao, Huajian

2008-12-01

A mechanics model describing how a cell membrane with diffusive mobile receptors wraps around a ligand-coated cylindrical or spherical particle has been recently developed to model the role of particle size in receptor-mediated endocytosis. The results show that particles in the size range of tens to hundreds of nanometers can enter cells even in the absence of clathrin or caveolin coats. Here we report further progress on modeling the effects of size and shape in diffusion, interaction, and absorption of finite-sized colloidal particles near a partially absorbing sphere. Our analysis indicates that, from the diffusion and interaction point of view, there exists an optimal hydrodynamic size of particles, typically in the nanometer regime, for the maximum rate of particle absorption. Such optimal size arises as a result of balance between the diffusion constant of the particles and the interaction energy between the particles and the absorbing sphere relative to the thermal energy. Particles with a smaller hydrodynamic radius have larger diffusion constant but weaker interaction with the sphere while larger particles have smaller diffusion constant but stronger interaction with the sphere. Since the hydrodynamic radius is also determined by the particle shape, an optimal hydrodynamic radius implies an optimal size as well as an optimal aspect ratio for a nonspherical particle. These results show broad agreement with experimental observations and may have general implications on interaction between nanoparticles and animal cells.

Evaluation of the 3D Finite Element Method Using a Tantalum Rod for Osteonecrosis of the Femoral Head

PubMed Central

Shi, Jingsheng; Chen, Jie; Wu, Jianguo; Chen, Feiyan; Huang, Gangyong; Wang, Zhan; Zhao, Guanglei; Wei, Yibing; Wang, Siqun

2014-01-01

Background The aim of this study was to contrast the collapse values of the postoperative weight-bearing areas of different tantalum rod implant positions, fibula implantation, and core decompression model and to investigate the advantages and disadvantages of tantalum rod implantation in different ranges of osteonecrosis in comparison with other methods. Material/Methods The 3D finite element method was used to establish the 3D finite element model of normal upper femur, 3D finite element model after tantalum rod implantation into different positions of the upper femur in different osteonecrosis ranges, and other 3D finite element models for simulating fibula implant and core decompression. Results The collapse values in the weight-bearing area of the femoral head of the tantalum rod implant model inside the osteonecrosis area, implant model in the middle of the osteonecrosis area, fibula implant model, and shortening implant model exhibited no statistically significant differences (p>0.05) when the osteonecrosis range was small (60°). The stress values on the artificial bone surface for the tantalum rod implant model inside the osteonecrosis area and the shortening implant model exhibited statistical significance (p<0.01). Conclusions Tantalum rod implantation into the osteonecrosis area can reduce the collapse values in the weight-bearing area when osteonecrosis of the femoral head (ONFH) was in a certain range, thereby obtaining better clinical effects. When ONFH was in a large range (120°), the tantalum rod implantation inside the osteonecrosis area, shortening implant or fibula implant can reduce the collapse values of the femoral head, as assessed by other methods. PMID:25479830

Interactions between finite amplitude small and medium-scale waves in the MLT region.

NASA Astrophysics Data System (ADS)

Heale, C. J.; Snively, J. B.

2016-12-01

Small-scale gravity waves can propagate high into the thermosphere and deposit significant momentum and energy into the background flow [e.g., Yamada et al., 2001, Fritts et al., 2014]. However, their propagation, dissipation, and spectral evolution can be significantly altered by other waves and dynamics and the nature of these complex interactions are not yet well understood. While many ray-tracing and time-dependent modeling studies have been performed to investigate interactions between waves of varying scales [e.g., Eckermann and Marks .1996, Sartelet. 2003, Liu et al. 2008, Vanderhoff et al., 2008, Senf and Achatz., 2011, Heale et al., 2015], the majority of these have considered waves of larger (tidal) scales, or have simplified one of the waves to be an imposed "background" and discount (or limit) the nonlinear feedback mechanisms between the two waves. In reality, both waves will influence each other, especially at finite amplitudes when nonlinear effects become important or dominant. We present a study of fully nonlinear interactions between small-scale 10s km, 10 min period) and medium-scale wave packets at finite amplitudes, which include feedback between the two waves and the ambient atmosphere. Time-dependence of the larger-scale wave has been identified as an important factor in reducing reflection [Heale et al., 2015] and critical level effects [Sartelet, 2003, Senf and Achatz, 2011], we choose medium-scale waves of different periods, and thus vertical scales, to investigate how this influences the propagation, filtering, and momentum and energy deposition of the small-scale waves, and in turn how these impacts affect the medium-scale waves. We also consider the observable features of these interactions in the mesosphere and lower thermosphere.

Stability of fractional Chern insulators in the effective continuum limit of Harper-Hofstadter bands with Chern number |C |>1

NASA Astrophysics Data System (ADS)

Andrews, Bartholomew; Möller, Gunnar

2018-01-01

We study the stability of composite fermion fractional quantum Hall states in Harper-Hofstadter bands with Chern number |C |>1 . From composite fermion theory, states are predicted to be found at filling factors ν =r /(k r |C |+1 ),r ∈Z , with k =1 for bosons and k =2 for fermions. Here, we closely analyze these series in both cases, with contact interactions for bosons and nearest-neighbor interactions for (spinless) fermions. In particular, we analyze how the many-body gap scales as the bands are tuned to the effective continuum limit of Chern number |C | bands, realized near flux density nϕ=1 /|C | . Near these points, the Hofstadter model requires large magnetic unit cells that yield bands with perfectly flat dispersion and Berry curvature. We exploit the known scaling of energies in the effective continuum limit in order to maintain a fixed square aspect ratio in finite-size calculations. Based on exact diagonalization calculations of the band-projected Hamiltonian for these lattice geometries, we show that for both bosons and fermions, the vast majority of finite-size spectra yield the ground-state degeneracy predicted by composite fermion theory. For the chosen interactions, we confirm that states with filling factor ν =1 /(k |C |+1 ) are the most robust and yield a clear gap in the thermodynamic limit. For bosons with contact interactions in |C |=2 and |C |=3 bands, our data for the composite fermion states are compatible with a finite gap in the thermodynamic limit. We also report new evidence for gapped incompressible states stabilized for fermions with nearest-neighbor interactions in |C |>1 bands. For cases with a clear gap, we confirm that the thermodynamic limit commutes with the effective continuum limit within finite-size error bounds. We analyze the nature of the correlation functions for the Abelian composite fermion states and find that the correlation functions for |C |>1 states are smooth functions for positions separated by |C | sites along both axes, giving rise to |C| 2 sheets; some of which can be related by inversion symmetry. We also comment on two cases which are associated with a bosonic integer quantum Hall effect (BIQHE): For ν =2 in |C |=1 bands, we find a strong competing state with a higher ground-state degeneracy, so no clear BIQHE is found in the band-projected Hofstadter model; for ν =1 in |C |=2 bands, we present additional data confirming the existence of a BIQHE state.

A computational study on the interaction between a vortex and a shock wave

NASA Technical Reports Server (NTRS)

Meadows, Kristine R.; Kumar, Ajay; Hussaini, M. Y.

1989-01-01

A computational study of two-dimensional shock vortex interaction is discussed in this paper. A second order upwind finite volume method is used to solve the Euler equations in conservation form. In this method, the shock wave is captured rather than fitted so that the cases where shock vortex interaction may cause secondary shocks can also be investigated. The effects of vortex strength on the computed flow and acoustic field generated by the interaction are qualitatively evaluated.

Keldysh approach for nonequilibrium phase transitions in quantum optics: Beyond the Dicke model in optical cavities

NASA Astrophysics Data System (ADS)

Torre, Emanuele G. Dalla; Diehl, Sebastian; Lukin, Mikhail D.; Sachdev, Subir; Strack, Philipp

2013-02-01

We investigate nonequilibrium phase transitions for driven atomic ensembles interacting with a cavity mode and coupled to a Markovian dissipative bath. In the thermodynamic limit and at low frequencies, we show that the distribution function of the photonic mode is thermal, with an effective temperature set by the atom-photon interaction strength. This behavior characterizes the static and dynamic critical exponents of the associated superradiance transition. Motivated by these considerations, we develop a general Keldysh path-integral approach that allows us to study physically relevant nonlinearities beyond the idealized Dicke model. Using standard diagrammatic techniques, we take into account the leading-order corrections due to the finite number N of atoms. For finite N, the photon mode behaves as a damped classical nonlinear oscillator at finite temperature. For the atoms, we propose a Dicke action that can be solved for any N and correctly captures the atoms’ depolarization due to dissipative dephasing.

Finite-element simulation of blood perfusion in muscle tissue during compression and sustained contraction.

PubMed

Vankan, W J; Huyghe, J M; Slaaf, D W; van Donkelaar, C C; Drost, M R; Janssen, J D; Huson, A

1997-09-01

Mechanical interaction between tissue stress and blood perfusion in skeletal muscles plays an important role in blood flow impediment during sustained contraction. The exact mechanism of this interaction is not clear, and experimental investigation of this mechanism is difficult. We developed a finite-element model of the mechanical behavior of blood-perfused muscle tissue, which accounts for mechanical blood-tissue interaction in maximally vasodilated vasculature. Verification of the model was performed by comparing finite-element results of blood pressure and flow with experimental measurements in a muscle that is subject to well-controlled mechanical loading conditions. In addition, we performed simulations of blood perfusion during tetanic, isometric contraction and maximal vasodilation in a simplified, two-dimensional finite-element model of a rat calf muscle. A vascular waterfall in the venous compartment was identified as the main cause for blood flow impediment both in the experiment and in the finite-element simulations. The validated finite-element model offers possibilities for detailed analysis of blood perfusion in three-dimensional muscle models under complicated loading conditions.

Dynamical effects in Bragg coherent x-ray diffraction imaging of finite crystals

NASA Astrophysics Data System (ADS)

Shabalin, A. G.; Yefanov, O. M.; Nosik, V. L.; Bushuev, V. A.; Vartanyants, I. A.

2017-08-01

We present simulations of Bragg coherent x-ray diffractive imaging (CXDI) data from finite crystals in the frame of the dynamical theory of x-ray diffraction. The developed approach is based on a numerical solution of modified Takagi-Taupin equations and can be applied for modeling of a broad range of x-ray diffraction experiments with finite three-dimensional crystals of arbitrary shape also in the presence of strain. We performed simulations for nanocrystals of a cubic and hemispherical shape of different sizes and provided a detailed analysis of artifacts in the Bragg CXDI reconstructions introduced by the dynamical diffraction. Based on our theoretical analysis we developed an analytical procedure to treat effects of refraction and absorption in the reconstruction. Our results elucidate limitations for the kinematical approach in the Bragg CXDI and suggest a natural criterion to distinguish between kinematical and dynamical cases in coherent x-ray diffraction on a finite crystal.

Finite-Rate Ablation Boundary Conditions for Carbon-Phenolic Heat-Shield

NASA Technical Reports Server (NTRS)

Chen, Y.-K.; Milos, Frank S.

2003-01-01

A formulation of finite-rate ablation surface boundary conditions, including oxidation, nitridation, and sublimation of carbonaceous material with pyrolysis gas injection, has been developed based on surface species mass conservation. These surface boundary conditions are discretized and integrated with a Navier-Stokes solver. This numerical procedure can predict aerothermal heating, chemical species concentration, and carbonaceous material ablation rate over the heatshield surface of re-entry space vehicles. In this study, the gas-gas and gas-surface interactions are established for air flow over a carbon-phenolic heatshield. Two finite-rate gas-surface interaction models are considered in the present study. The first model is based on the work of Park, and the second model includes the kinetics suggested by Zhluktov and Abe. Nineteen gas phase chemical reactions and four gas-surface interactions are considered in the present model. There is a total of fourteen gas phase chemical species, including five species for air and nine species for ablation products. Three test cases are studied in this paper. The first case is a graphite test model in the arc-jet stream; the second is a light weight Phenolic Impregnated Carbon Ablator at the Stardust re-entry peak heating conditions, and the third is a fully dense carbon-phenolic heatshield at the peak heating point of a proposed Mars Sample Return Earth Entry Vehicle. Predictions based on both finite-rate gas- surface interaction models are compared with those obtained using B' tables, which were created based on the chemical equilibrium assumption. Stagnation point convective heat fluxes predicted using Park's finite-rate model are far below those obtained from chemical equilibrium B' tables and Zhluktov's model. Recession predictions from Zhluktov's model are generally lower than those obtained from Park's model and chemical equilibrium B' tables. The effect of species mass diffusion on predicted ablation rate is also examined.

Body-wave traveltime and amplitude shifts from asymptotic travelling wave coupling

USGS Publications Warehouse

Pollitz, F.

2006-01-01

We explore the sensitivity of finite-frequency body-wave traveltimes and amplitudes to perturbations in 3-D seismic velocity structure relative to a spherically symmetric model. Using the approach of coupled travelling wave theory, we consider the effect of a structural perturbation on an isolated portion of the seismogram. By convolving the spectrum of the differential seismogram with the spectrum of a narrow window taper, and using a Taylor's series expansion for wavenumber as a function of frequency on a mode dispersion branch, we derive semi-analytic expressions for the sensitivity kernels. Far-field effects of wave interactions with the free surface or internal discontinuities are implicitly included, as are wave conversions upon scattering. The kernels may be computed rapidly for the purpose of structural inversions. We give examples of traveltime sensitivity kernels for regional wave propagation at 1 Hz. For the direct SV wave in a simple crustal velocity model, they are generally complicated because of interfering waves generated by interactions with the free surface and the Mohorovic??ic?? discontinuity. A large part of the interference effects may be eliminated by restricting the travelling wave basis set to those waves within a certain range of horizontal phase velocity. ?? Journal compilation ?? 2006 RAS.

Finite Element Modeling and Analysis of Thorax/Restraint System Interlock

DOT National Transportation Integrated Search

1994-05-23

Various modeling techniques are playing an increasingly important role as a cost effective means of supplementing crashworthiness data for gaining a better understanding of the injury mechanisms associated with automotive crashes. The interaction of ...

Kosterlitz-Thouless transition and vortex-antivortex lattice melting in two-dimensional Fermi gases with p - or d -wave pairing

NASA Astrophysics Data System (ADS)

Cao, Gaoqing; He, Lianyi; Huang, Xu-Guang

2017-12-01

We present a theoretical study of the finite-temperature Kosterlitz-Thouless (KT) and vortex-antivortex lattice (VAL) melting transitions in two-dimensional Fermi gases with p - or d -wave pairing. For both pairings, when the interaction is tuned from weak to strong attractions, we observe a quantum phase transition from the Bardeen-Cooper-Schrieffer (BCS) superfluidity to the Bose-Einstein condensation (BEC) of difermions. The KT and VAL transition temperatures increase during this BCS-BEC transition and approach constant values in the deep BEC region. The BCS-BEC transition is characterized by the nonanalyticities of the chemical potential, the superfluid order parameter, and the sound velocities as functions of the interaction strength at both zero and finite temperatures; however, the temperature effect tends to weaken the nonanalyticities compared to the zero-temperature case. The effect of mismatched Fermi surfaces on the d -wave pairing is also studied.

Modelling of deformation of underground tunnel lining, interacting with water-saturated soil

NASA Astrophysics Data System (ADS)

Berezhnoi, D. V.; Balafendieva, I. S.; Sachenkov, A. A.; Sekaeva, L. R.

2016-11-01

Built finite element method of calculating the deformation of underground tunnel lining, interacting with dry and water-saturated soils. To simulate the interaction between the lining and soils environments, including physical and non-linear, a special "contact" finite element, which allows to consider all cases of interaction between the contacting surfaces. It solved a number of problems of deformation with the ground subway tunnel lining rings.

Numerical studies of interacting vortices

NASA Technical Reports Server (NTRS)

Liu, G. C.; Hsu, C. H.

1985-01-01

To get a basic understanding of the physics of flowfields modeled by vortex filaments with finite vortical cores, systematic numerical studies of the interactions of two dimensional vortices and pairs of coaxial axisymmetric circular vortex rings were made. Finite difference solutions of the unsteady incompressible Navier-Stokes equations were carried out using vorticity and stream function as primary variables. Special emphasis was placed on the formulation of appropriate boundary conditions necessary for the calculations in a finite computational domain. Numerical results illustrate the interaction of vortex filaments, demonstrate when and how they merge with each other, and establish the region of validity for an asymptotic analysis.

Volume dependence of N-body bound states

NASA Astrophysics Data System (ADS)

König, Sebastian; Lee, Dean

2018-04-01

We derive the finite-volume correction to the binding energy of an N-particle quantum bound state in a cubic periodic volume. Our results are applicable to bound states with arbitrary composition and total angular momentum, and in any number of spatial dimensions. The only assumptions are that the interactions have finite range. The finite-volume correction is a sum of contributions from all possible breakup channels. In the case where the separation is into two bound clusters, our result gives the leading volume dependence up to exponentially small corrections. If the separation is into three or more clusters, there is a power-law factor that is beyond the scope of this work, however our result again determines the leading exponential dependence. We also present two independent methods that use finite-volume data to determine asymptotic normalization coefficients. The coefficients are useful to determine low-energy capture reactions into weakly bound states relevant for nuclear astrophysics. Using the techniques introduced here, one can even extract the infinite-volume energy limit using data from a single-volume calculation. The derived relations are tested using several exactly solvable systems and numerical examples. We anticipate immediate applications to lattice calculations of hadronic, nuclear, and cold atomic systems.

Finite element analysis of low speed viscous and inviscid aerodynamic flows

NASA Technical Reports Server (NTRS)

Baker, A. J.; Manhardt, P. D.

1977-01-01

A weak interaction solution algorithm was established for aerodynamic flow about an isolated airfoil. Finite element numerical methodology was applied to solution of each of differential equations governing potential flow, and viscous and turbulent boundary layer and wake flow downstream of the sharp trailing edge. The algorithm accounts for computed viscous displacement effects on the potential flow. Closure for turbulence was accomplished using both first and second order models. The COMOC finite element fluid mechanics computer program was modified to solve the identified equation systems for two dimensional flows. A numerical program was completed to determine factors affecting solution accuracy, convergence and stability for the combined potential, boundary layer, and parabolic Navier-Stokes equation systems. Good accuracy and convergence are demonstrated. Each solution is obtained within the identical finite element framework of COMOC.

Modeling of Fuel Film Cooling on Chamber Hot Wall

DTIC Science & Technology

2013-12-01

flow at supercritical pressure. The fuel jet and the cross-flow interact. Some part of the jet is stripped off and entrained by the hot gas...modelers. The supercritical pressure makes information on equation of state and transport properties hard to come by. The large temperature range...the modeling of hydrocarbon fuel film cooling at supercritical pressures. A relevant recent simulation study by Yang and Sun [1] used a finite-rate

Electromagnetic Field Enhancement on Axially Heterostructured NWs: The Role of the Heterojunctions

NASA Astrophysics Data System (ADS)

Pura, J. L.; Souto, J.; Periwal, P.; Baron, T.; Jiménez, J.

2018-05-01

Semiconductor nanowires are the building blocks of future nanoelectronic devices. The study of the interaction between nanowires and visible light reveals resonances that promise light absorption/scattering engineering for photonic applications. We carried out experimental measurements through the micro-Raman spectroscopy of different group IV nanowires, both homogeneous Si nanowires and axially heterostructured SiGe/Si nanowires. These experimental measurements show an enhancement of the Raman signal in the vicinity of the heterojunction of SiGe/Si nanowires. The results are analysed in terms of the electromagnetic modelling of the light/nanowire interaction using finite element methods. The presence of axial heterostructures is shown to produce electromagnetic resonances, and the results are understood as a consequence of a finite change in the relative permittivity of the material at the SiGe/Si heterojunction. This effect opens a path to controlling interactions between light and matter at the nanoscale with direct applications in photonic nanodevices.

Surface acoustic wave diffraction driven mechanisms in microfluidic systems.

PubMed

Fakhfouri, Armaghan; Devendran, Citsabehsan; Albrecht, Thomas; Collins, David J; Winkler, Andreas; Schmidt, Hagen; Neild, Adrian

2018-06-26

Acoustic forces arising from high-frequency surface acoustic waves (SAW) underpin an exciting range of promising techniques for non-contact manipulation of fluid and objects at micron scale. Despite increasing significance of SAW-driven technologies in microfluidics, the understanding of a broad range of phenomena occurring within an individual SAW system is limited. Acoustic effects including streaming and radiation force fields are often assumed to result from wave propagation in a simple planar fashion. The propagation patterns of a single SAW emanating from a finite-width source, however, cause a far richer range of physical effects. In this work, we seek a better understanding of the various effects arising from the incidence of a finite-width SAW beam propagating into a quiescent fluid. Through numerical and experimental verification, we present five distinct mechanisms within an individual system. These cause fluid swirling in two orthogonal planes, and particle trapping in two directions, as well as migration of particles in the direction of wave propagation. For a range of IDT aperture and channel dimensions, the relative importance of these mechanisms is evaluated.

The Perfectly Matched Layer absorbing boundary for fluid-structure interactions using the Immersed Finite Element Method.

PubMed

Yang, Jubiao; Yu, Feimi; Krane, Michael; Zhang, Lucy T

2018-01-01

In this work, a non-reflective boundary condition, the Perfectly Matched Layer (PML) technique, is adapted and implemented in a fluid-structure interaction numerical framework to demonstrate that proper boundary conditions are not only necessary to capture correct wave propagations in a flow field, but also its interacted solid behavior and responses. While most research on the topics of the non-reflective boundary conditions are focused on fluids, little effort has been done in a fluid-structure interaction setting. In this study, the effectiveness of the PML is closely examined in both pure fluid and fluid-structure interaction settings upon incorporating the PML algorithm in a fully-coupled fluid-structure interaction framework, the Immersed Finite Element Method. The performance of the PML boundary condition is evaluated and compared to reference solutions with a variety of benchmark test cases including known and expected solutions of aeroacoustic wave propagation as well as vortex shedding and advection. The application of the PML in numerical simulations of fluid-structure interaction is then investigated to demonstrate the efficacy and necessity of such boundary treatment in order to capture the correct solid deformation and flow field without the requirement of a significantly large computational domain.

Plasmon polaritons in cubic lattices of spherical metallic nanoparticles

NASA Astrophysics Data System (ADS)

Lamowski, Simon; Mann, Charlie-Ray; Hellbach, Felicitas; Mariani, Eros; Weick, Guillaume; Pauly, Fabian

2018-03-01

We theoretically investigate plasmon polaritons in cubic lattices of spherical metallic nanoparticles. The nanoparticles, each supporting triply-degenerate localized surface plasmons, couple through the Coulomb dipole-dipole interaction, giving rise to collective plasmons that extend over the whole metamaterial. The latter hybridize with photons forming plasmon polaritons, which are the hybrid light-matter eigenmodes of the system. We derive general analytical expressions to evaluate both plasmon and plasmon-polariton dispersions and the corresponding eigenstates. These are obtained within a Hamiltonian formalism, which takes into account retardation effects in the dipolar interaction between the nanoparticles and considers the dielectric properties of the nanoparticles as well as their surrounding. Within this model we predict polaritonic splittings in the near-infrared to the visible range of the electromagnetic spectrum that depend on polarization, lattice symmetry, and wave-vector direction. Finally, we show that the predictions of our model are in excellent quantitative agreement with conventional finite-difference frequency-domain simulations, but with the advantages of analytical insight and significantly reduced computational cost.

Intrinsic retrieval efficiency for quantum memories: A three-dimensional theory of light interaction with an atomic ensemble

NASA Astrophysics Data System (ADS)

Gujarati, Tanvi P.; Wu, Yukai; Duan, Luming

2018-03-01

Duan-Lukin-Cirac-Zoller quantum repeater protocol, which was proposed to realize long distance quantum communication, requires usage of quantum memories. Atomic ensembles interacting with optical beams based on off-resonant Raman scattering serve as convenient on-demand quantum memories. Here, a complete free space, three-dimensional theory of the associated read and write process for this quantum memory is worked out with the aim of understanding intrinsic retrieval efficiency. We develop a formalism to calculate the transverse mode structure for the signal and the idler photons and use the formalism to study the intrinsic retrieval efficiency under various configurations. The effects of atomic density fluctuations and atomic motion are incorporated by numerically simulating this system for a range of realistic experimental parameters. We obtain results that describe the variation in the intrinsic retrieval efficiency as a function of the memory storage time for skewed beam configuration at a finite temperature, which provides valuable information for optimization of the retrieval efficiency in experiments.

FDTD computation of human eye exposure to ultra-wideband electromagnetic pulses.

PubMed

Simicevic, Neven

2008-03-21

With an increase in the application of ultra-wideband (UWB) electromagnetic pulses in the communications industry, radar, biotechnology and medicine, comes an interest in UWB exposure safety standards. Despite an increase of the scientific research on bioeffects of exposure to non-ionizing UWB pulses, characterization of those effects is far from complete. A numerical computational approach, such as a finite-difference time domain (FDTD) method, is required to visualize and understand the complexity of broadband electromagnetic interactions. The FDTD method has almost no limits in the description of the geometrical and dispersive properties of the simulated material, it is numerically robust and appropriate for current computer technology. In this paper, a complete calculation of exposure of the human eye to UWB electromagnetic pulses in the frequency range of 3.1-10.6, 22-29 and 57-64 GHz is performed. Computation in this frequency range required a geometrical resolution of the eye of 0.1 mm and an arbitrary precision in the description of its dielectric properties in terms of the Debye model. New results show that the interaction of UWB pulses with the eye tissues exhibits the same properties as the interaction of the continuous electromagnetic waves (CWs) with the frequencies from the pulse's frequency spectrum. It is also shown that under the same exposure conditions the exposure to UWB pulses is from one to many orders of magnitude safer than the exposure to CW.

Nonlinear force dependence on optically bound micro-particle arrays in the evanescent fields of fundamental and higher order microfibre modes

PubMed Central

Maimaiti, Aili; Holzmann, Daniela; Truong, Viet Giang; Ritsch, Helmut; Nic Chormaic, Síle

2016-01-01

Particles trapped in the evanescent field of an ultrathin optical fibre interact over very long distances via multiple scattering of the fibre-guided fields. In ultrathin fibres that support higher order modes, these interactions are stronger and exhibit qualitatively new behaviour due to the coupling of different fibre modes, which have different propagation wave-vectors, by the particles. Here, we study one dimensional longitudinal optical binding interactions of chains of 3 μm polystyrene spheres under the influence of the evanescent fields of a two-mode microfibre. The observation of long-range interactions, self-ordering and speed variation of particle chains reveals strong optical binding effects between the particles that can be modelled well by a tritter scattering-matrix approach. The optical forces, optical binding interactions and the velocity of bounded particle chains are calculated using this method. Results show good agreement with finite element numerical simulations. Experimental data and theoretical analysis show that higher order modes in a microfibre offer a promising method to not only obtain stable, multiple particle trapping or faster particle propulsion speeds, but that they also allow for better control over each individual trapped object in particle ensembles near the microfibre surface. PMID:27451935

1/Nc expansion and the spin-flavor structure of the quark interaction in the constituent quark model

NASA Astrophysics Data System (ADS)

Pirjol, Dan; Schat, Carlos

2010-12-01

We study the hierarchy of the coefficients in the 1/Nc expansion for the negative parity L=1 excited baryons from the perspective of the constituent quark model. This is related to the problem of determining the spin-flavor structure of the quark interaction. The most general two-body scalar interaction between quarks contains the spin-flavor structures t1at2a,s→1·s→2 and s→1·s→2t1at2a. We show that in the limit of a zero range interaction all these structures are matched onto the same hadronic mass operator Sc2, which gives a possible explanation for the dominance of this operator in the 1/Nc expansion for the L=1 states and implies that in this limit it is impossible to distinguish between these different spin-flavor structures. Modeling a finite range interaction through the exchange of a vector and pseudoscalar meson, we propose a test for the spin-flavor dependence of the quark forces. For the scalar part of the quark interaction, we find that both pion exchange and gluon exchange are compatible with the data.

Suppression and enhancement of decoherence in an atomic Josephson junction

NASA Astrophysics Data System (ADS)

Japha, Yonathan; Zhou, Shuyu; Keil, Mark; Folman, Ron; Henkel, Carsten; Vardi, Amichay

2016-05-01

We investigate the role of interatomic interactions when a Bose gas, in a double-well potential with a finite tunneling probability (a ‘Bose-Josephson junction’), is exposed to external noise. We examine the rate of decoherence of a system initially in its ground state with equal probability amplitudes in both sites. The noise may induce two kinds of effects: firstly, random shifts in the relative phase or number difference between the two wells and secondly, loss of atoms from the trap. The effects of induced phase fluctuations are mitigated by atom-atom interactions and tunneling, such that the dephasing rate may be suppressed by half its single-atom value. Random fluctuations may also be induced in the population difference between the wells, in which case atom-atom interactions considerably enhance the decoherence rate. A similar scenario is predicted for the case of atom loss, even if the loss rates from the two sites are equal. We find that if the initial state is number-squeezed due to interactions, then the loss process induces population fluctuations that reduce the coherence across the junction. We examine the parameters relevant for these effects in a typical atom chip device, using a simple model of the trapping potential, experimental data, and the theory of magnetic field fluctuations near metallic conductors. These results provide a framework for mapping the dynamical range of barriers engineered for specific applications and set the stage for more complex atom circuits (‘atomtronics’).

Parametric Studies of Square Solar Sails Using Finite Element Analysis

NASA Technical Reports Server (NTRS)

Sleight, David W.; Muheim, Danniella M.

2004-01-01

Parametric studies are performed on two generic square solar sail designs to identify parameters of interest. The studies are performed on systems-level models of full-scale solar sails, and include geometric nonlinearity and inertia relief, and use a Newton-Raphson scheme to apply sail pre-tensioning and solar pressure. Computational strategies and difficulties encountered during the analyses are also addressed. The purpose of this paper is not to compare the benefits of one sail design over the other. Instead, the results of the parametric studies may be used to identify general response trends, and areas of potential nonlinear structural interactions for future studies. The effects of sail size, sail membrane pre-stress, sail membrane thickness, and boom stiffness on the sail membrane and boom deformations, boom loads, and vibration frequencies are studied. Over the range of parameters studied, the maximum sail deflection and boom deformations are a nonlinear function of the sail properties. In general, the vibration frequencies and modes are closely spaced. For some vibration mode shapes, local deformation patterns that dominate the response are identified. These localized patterns are attributed to the presence of negative stresses in the sail membrane that are artifacts of the assumption of ignoring the effects of wrinkling in the modeling process, and are not believed to be physically meaningful. Over the range of parameters studied, several regions of potential nonlinear modal interaction are identified.

Towards a theory of cortical columns: From spiking neurons to interacting neural populations of finite size

PubMed Central

Gerstner, Wulfram

2017-01-01

Neural population equations such as neural mass or field models are widely used to study brain activity on a large scale. However, the relation of these models to the properties of single neurons is unclear. Here we derive an equation for several interacting populations at the mesoscopic scale starting from a microscopic model of randomly connected generalized integrate-and-fire neuron models. Each population consists of 50–2000 neurons of the same type but different populations account for different neuron types. The stochastic population equations that we find reveal how spike-history effects in single-neuron dynamics such as refractoriness and adaptation interact with finite-size fluctuations on the population level. Efficient integration of the stochastic mesoscopic equations reproduces the statistical behavior of the population activities obtained from microscopic simulations of a full spiking neural network model. The theory describes nonlinear emergent dynamics such as finite-size-induced stochastic transitions in multistable networks and synchronization in balanced networks of excitatory and inhibitory neurons. The mesoscopic equations are employed to rapidly integrate a model of a cortical microcircuit consisting of eight neuron types, which allows us to predict spontaneous population activities as well as evoked responses to thalamic input. Our theory establishes a general framework for modeling finite-size neural population dynamics based on single cell and synapse parameters and offers an efficient approach to analyzing cortical circuits and computations. PMID:28422957

Design and fabrication of plasmonic cavities for magneto-optical sensing

NASA Astrophysics Data System (ADS)

Loughran, T. H. J.; Roth, J.; Keatley, P. S.; Hendry, E.; Barnes, W. L.; Hicken, R. J.; Einsle, J. F.; Amy, A.; Hendren, W.; Bowman, R. M.; Dawson, P.

2018-05-01

The design and fabrication of a novel plasmonic cavity, intended to allow far-field recovery of signals arising from near field magneto-optical interactions, is presented. Finite element modeling is used to describe the interaction between a gold film, containing cross-shaped cavities, with a nearby magnetic under-layer. The modeling revealed strong electric field confinement near the center of the cross structure for certain optical wavelengths, which may be tuned by varying the length of the cross through a range that is compatible with available fabrication techniques. Furthermore, the magneto optical Kerr effect (MOKE) response of the composite structure can be enhanced with respect to that of the bare magnetic film. To confirm these findings, cavities were milled within gold films deposited upon a soluble film, allowing relocation to a ferromagnetic film using a float transfer technique. Cross cavity arrays were fabricated and characterized by optical transmission spectroscopy prior to floating, revealing resonances at optical wavelengths in good agreement with the finite element modeling. Following transfer to the magnetic film, circular test apertures within the gold film yielded clear magneto-optical signals even for diameters within the sub-wavelength regime. However, no magneto-optical signal was observed for the cross cavity arrays, since the FIB milling process was found to produce nanotube structures within the soluble under-layer that adhered to the gold. Further optimization of the fabrication process should allow recovery of magneto-optical signal from cross cavity structures.

Methods for describing the electromagnetic properties of silver and gold nanoparticles.

PubMed

Zhao, Jing; Pinchuk, Anatoliy O; McMahon, Jeffrey M; Li, Shuzhou; Ausman, Logan K; Atkinson, Ariel L; Schatz, George C

2008-12-01

This Account provides an overview of the methods that are currently being used to study the electromagnetics of silver and gold nanoparticles, with an emphasis on the determination of extinction and surface-enhanced Raman scattering (SERS) spectra. These methods have proven to be immensely useful in recent years for interpreting a wide range of nanoscience experiments and providing the capability to describe optical properties of particles up to several hundred nanometers in dimension, including arbitrary particle structures and complex dielectric environments (adsorbed layers of molecules, nearby metal films, and other particles). While some of the methods date back to Mie's celebrated work a century ago, others are still at the forefront of algorithm development in computational electromagnetics. This Account gives a qualitative description of the physical and mathematical basis behind the most commonly used methods, including both analytical and numerical methods, as well as representative results of applications that are relevant to current experiments. The analytical methods that we discuss are either derived from Mie theory for spheres or from the quasistatic (Gans) model as applied to spheres and spheroids. In this discussion, we describe the use of Mie theory to determine electromagnetic contributions to SERS enhancements that include for retarded dipole emission effects, and the use of the quasistatic approximation for spheroidal particles interacting with dye adsorbate layers. The numerical methods include the discrete dipole approximation (DDA), the finite difference time domain (FDTD) method, and the finite element method (FEM) based on Whitney forms. We discuss applications such as using DDA to describe the interaction of two gold disks to define electromagnetic hot spots, FDTD for light interacting with metal wires that go from particle-like plasmonic response to the film-like transmission as wire dimension is varied, and FEM studies of electromagnetic fields near cubic particles.

Efficient finite element modeling of radiation forces on elastic particles of arbitrary size and geometry.

PubMed

Glynne-Jones, Peter; Mishra, Puja P; Boltryk, Rosemary J; Hill, Martyn

2013-04-01

A finite element based method is presented for calculating the acoustic radiation force on arbitrarily shaped elastic and fluid particles. Importantly for future applications, this development will permit the modeling of acoustic forces on complex structures such as biological cells, and the interactions between them and other bodies. The model is based on a non-viscous approximation, allowing the results from an efficient, numerical, linear scattering model to provide the basis for the second-order forces. Simulation times are of the order of a few seconds for an axi-symmetric structure. The model is verified against a range of existing analytical solutions (typical accuracy better than 0.1%), including those for cylinders, elastic spheres that are of significant size compared to the acoustic wavelength, and spheroidal particles.

Effect of electron-vibration interactions on the thermoelectric efficiency of molecular junctions.

PubMed

Hsu, Bailey C; Chiang, Chi-Wei; Chen, Yu-Chang

2012-07-11

From first-principles approaches, we investigate the thermoelectric efficiency of a molecular junction where a benzene molecule is connected directly to the platinum electrodes. We calculate the thermoelectric figure of merit ZT in the presence of electron-vibration interactions with and without local heating under two scenarios: linear response and finite bias regimes. In the linear response regime, ZT saturates around the electrode temperature T(e) = 25 K in the elastic case, while in the inelastic case we observe a non-saturated and a much larger ZT beyond T(e) = 25 K attributed to the tail of the Fermi-Dirac distribution. In the finite bias regime, the inelastic effects reveal the signatures of the molecular vibrations in the low-temperature regime. The normal modes exhibiting structures in the inelastic profile are characterized by large components of atomic vibrations along the current density direction on top of each individual atom. In all cases, the inclusion of local heating leads to a higher wire temperature T(w) and thus magnifies further the influence of the electron-vibration interactions due to the increased number of local phonons.

Models and finite element approximations for interacting nanosized piezoelectric bodies and acoustic medium

NASA Astrophysics Data System (ADS)

Nasedkin, A. V.

2017-01-01

This research presents the new size-dependent models of piezoelectric materials oriented to finite element applications. The proposed models include the facilities of taking into account different mechanisms of damping for mechanical and electric fields. The coupled models also incorporate the equations of the theory of acoustics for viscous fluids. In particular cases, these models permit to use the mode superposition method with full separation of the finite element systems into independent equations for the independent modes for transient and harmonic problems. The main boundary conditions were supplemented with the facilities of taking into account the coupled surface effects, allowing to explore the nanoscale piezoelectric materials in the framework of theories of continuous media with surface stresses and their generalizations. For the considered problems we have implemented the finite element technologies and various numerical algorithms to maintain a symmetrical structure of the finite element quasi-definite matrices (matrix structure for the problems with a saddle point).

Distributed finite-time trajectory tracking control for multiple nonholonomic mobile robots with uncertainties and external disturbances

NASA Astrophysics Data System (ADS)

Ou, Meiying; Sun, Haibin; Gu, Shengwei; Zhang, Yangyi

2017-11-01

This paper investigates the distributed finite-time trajectory tracking control for a group of nonholonomic mobile robots with time-varying unknown parameters and external disturbances. At first, the tracking error system is derived for each mobile robot with the aid of a global invertible transformation, which consists of two subsystems, one is a first-order subsystem and another is a second-order subsystem. Then, the two subsystems are studied respectively, and finite-time disturbance observers are proposed for each robot to estimate the external disturbances. Meanwhile, distributed finite-time tracking controllers are developed for each mobile robot such that all states of each robot can reach the desired value in finite time, where the desired reference value is assumed to be the trajectory of a virtual leader whose information is available to only a subset of the followers, and the followers are assumed to have only local interaction. The effectiveness of the theoretical results is finally illustrated by numerical simulations.

Effect of molecular topology on the transport properties of dendrimers in dilute solution at Θ temperature: A Brownian dynamics study

NASA Astrophysics Data System (ADS)

Bosko, Jaroslaw T.; Ravi Prakash, J.

2008-01-01

Structure and transport properties of dendrimers in dilute solution are studied with the aid of Brownian dynamics simulations. To investigate the effect of molecular topology on the properties, linear chain, star, and dendrimer molecules of comparable molecular weights are studied. A bead-spring chain model with finitely extensible springs and fluctuating hydrodynamic interactions is used to represent polymer molecules under Θ conditions. Structural properties as well as the diffusivity and zero-shear-rate intrinsic viscosity of polymers with varied degrees of branching are analyzed. Results for the free-draining case are compared to and found in very good agreement with the Rouse model predictions. Translational diffusivity is evaluated and the difference between the short-time and long-time behavior due to dynamic correlations is observed. Incorporation of hydrodynamic interactions is found to be sufficient to reproduce the maximum in the intrinsic viscosity versus molecular weight observed experimentally for dendrimers. Results of the nonequilibrium Brownian dynamics simulations of dendrimers and linear chain polymers subjected to a planar shear flow in a wide range of strain rates are also reported. The flow-induced molecular deformation of molecules is found to decrease hydrodynamic interactions and lead to the appearance of shear thickening. Further, branching is found to suppress flow-induced molecular alignment and deformation.

Fluid dynamic mechanisms and interactions within separated flows and their effects on missile aerodynamics

NASA Astrophysics Data System (ADS)

Addy, A. L.; Chow, W. L.; Korst, H. H.; White, R. A.

1983-05-01

Significant data and detailed results of a joint research effort investigating the fluid dynamic mechanisms and interactions within separated flows are presented. The results were obtained through analytical, experimental, and computational investigations of base flow related configurations. The research objectives focus on understanding the component mechanisms and interactions which establish and maintain separated flow regions. Flow models and theoretical analyses were developed to describe the base flowfield. The research approach has been to conduct extensive small-scale experiments on base flow configurations and to analyze these flows by component models and finite-difference techniques. The modeling of base flows of missiles (both powered and unpowered) for transonic and supersonic freestreams has been successful by component models. Research on plume effects and plume modeling indicated the need to match initial plume slope and plume surface curvature for valid wind tunnel simulation of an actual rocket plume. The assembly and development of a state-of-the-art laser Doppler velocimeter (LDV) system for experiments with two-dimensional small-scale models has been completed and detailed velocity and turbulence measurements are underway. The LDV experiments include the entire range of base flowfield mechanisms - shear layer development, recompression/reattachment, shock-induced separation, and plume-induced separation.

Skeletal assessment with finite element analysis: relevance, pitfalls and interpretation.

PubMed

Campbell, Graeme Michael; Glüer, Claus-C

2017-07-01

Finite element models simulate the mechanical response of bone under load, enabling noninvasive assessment of strength. Models generated from quantitative computed tomography (QCT) incorporate the geometry and spatial distribution of bone mineral density (BMD) to simulate physiological and traumatic loads as well as orthopaedic implant behaviour. The present review discusses the current strengths and weakness of finite element models for application to skeletal biomechanics. In cadaver studies, finite element models provide better estimations of strength compared to BMD. Data from clinical studies are encouraging; however, the superiority of finite element models over BMD measures for fracture prediction has not been shown conclusively, and may be sex and site dependent. Therapeutic effects on bone strength are larger than for BMD; however, model validation has only been performed on untreated bone. High-resolution modalities and novel image processing methods may enhance the structural representation and predictive ability. Despite extensive use of finite element models to study orthopaedic implant stability, accurate simulation of the bone-implant interface and fracture progression remains a significant challenge. Skeletal finite element models provide noninvasive assessments of strength and implant stability. Improved structural representation and implant surface interaction may enable more accurate models of fragility in the future.

Correction of beam-beam effects in luminosity measurement in the forward region at CLIC

NASA Astrophysics Data System (ADS)

Lukić, S.; Božović-Jelisavčić, I.; Pandurović, M.; Smiljanić, I.

2013-05-01

Procedures for correcting the beam-beam effects in luminosity measurements at CLIC at 3 TeV center-of-mass energy are described and tested using Monte Carlo simulations. The angular counting loss due to the combined Beamstrahlung and initial-state radiation effects is corrected based on the reconstructed velocity of the collision frame of the Bhabha scattering. The distortion of the luminosity spectrum due to the initial-state radiation is corrected by deconvolution. At the end, the counting bias due to the finite calorimeter energy resolution is numerically corrected. To test the procedures, BHLUMI Bhabha event generator, and Guinea-Pig beam-beam simulation were used to generate the outgoing momenta of Bhabha particles in the bunch collisions at CLIC. The systematic effects of the beam-beam interaction on the luminosity measurement are corrected with precision of 1.4 permille in the upper 5% of the energy, and 2.7 permille in the range between 80 and 90% of the nominal center-of-mass energy.

Numerical modelling of nonlinear full-wave acoustic propagation

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

Velasco-Segura, Roberto, E-mail: roberto.velasco@ccadet.unam.mx; Rendón, Pablo L., E-mail: pablo.rendon@ccadet.unam.mx

2015-10-28

The various model equations of nonlinear acoustics are arrived at by making assumptions which permit the observation of the interaction with propagation of either single or joint effects. We present here a form of the conservation equations of fluid dynamics which are deduced using slightly less restrictive hypothesis than those necessary to obtain the well known Westervelt equation. This formulation accounts for full wave diffraction, nonlinearity, and thermoviscous dissipative effects. A two-dimensional, finite-volume method using Roe’s linearisation has been implemented to obtain numerically the solution of the proposed equations. This code, which has been written for parallel execution on amore » GPU, can be used to describe moderate nonlinear phenomena, at low Mach numbers, in domains as large as 100 wave lengths. Applications range from models of diagnostic and therapeutic HIFU, to parametric acoustic arrays and nonlinear propagation in acoustic waveguides. Examples related to these applications are shown and discussed.« less

Finite Element Modeling of Non-linear Coupled Interacting Fault System

NASA Astrophysics Data System (ADS)

Xing, H. L.; Zhang, J.; Wyborn, D.

2009-04-01

PANDAS - Parallel Adaptive static/dynamic Nonlinear Deformation Analysis System - a novel supercomputer simulation tool is developed for simulating the highly non-linear coupled geomechanical-fluid flow-thermal systems involving heterogeneously fractured geomaterials. PANDAS includes the following key components: Pandas/Pre, ESyS_Crustal, Pandas/Thermo, Pandas/Fluid and Pandas/Post as detailed in the following: • Pandas/Pre is developed to visualise the microseismicity events recorded during the hydraulic stimulation process to further evaluate the fracture location and evolution and geological setting of a certain reservoir, and then generate the mesh by it and/or other commercial graphics software (such as Patran) for the further finite element analysis of various cases; The Delaunay algorithm is applied as a suitable method for mesh generation using such a point set; • ESyS_Crustal is a finite element code developed for the interacting fault system simulation, which employs the adaptive static/dynamic algorithm to simulate the dynamics and evolution of interacting fault systems and processes that are relevant on short to mediate time scales in which several dynamic phenomena related with stick-slip instability along the faults need to be taken into account, i.e. (a). slow quasi-static stress accumulation, (b) rapid dynamic rupture, (c) wave propagation and (d) corresponding stress redistribution due to the energy release along the multiple fault boundaries; those are needed to better describe ruputure/microseimicity/earthquake related phenomena with applications in earthquake forecasting, hazard quantification, exploration, and environmental problems. It has been verified with various available experimental results[1-3]; • Pandas/Thermo is a finite element method based module for the thermal analysis of the fractured porous media; the temperature distribution is calculated from the heat transfer induced by the thermal boundary conditions without/with the coupled fluid effects and the geomechanical energy conversion for the pure/coupled thermal analysis. • Pandas/Fluid is a finite element method based module for simulating the fluid flow in the fractured porous media; the fluid flow velocity and pressure are calculated from energy equilibrium equations without/together with the coupling effects of the thermal and solid rock deformation for an independent/coupled fluid flow analysis; • Pandas/Post is to visualise the simulation results through the integration of VTK and/or Patran. All the above modules can be used independently/together to simulate individual/coupled phenomena (such as interacting fault system dynamics, heat flow and fluid flow) without/with coupling effects. PANDAS has been applied to the following issues: • visualisation of the microseismic events to monitor and determine where/how the underground rupture proceeds during a hydraulic stimulation, to generate the mesh using the recorded data for determining the domain of the ruptured zone and to evaluate the material parameters (i.e. the permeability) for the further numerical analysis; • interacting fault system simulation to determine the relevant complicated dynamic rupture process. • geomechanical-fluid flow coupling analysis to investigate the interactions between fluid flow and deformation in the fractured porous media under different loading conditions. • thermo-fluid flow coupling analysis of a fractured geothermal reservoir system. PANDAS will be further developed for a multiscale simulation of multiphase dynamic behaviour for a certain fractured geothermal reservoir. More details and additional application examples will be given during the presentation. References [1] Xing, H. L., Makinouchi, A. and Mora, P. (2007). Finite element modeling of interacting fault system, Physics of the Earth and Planetary Interiors, 163, 106-121.doi:10.1016/j.pepi.2007.05.006 [2] Xing, H. L., Mora, P., Makinouchi, A. (2006). An unified friction description and its application to simulation of frictional instability using finite element method. Philosophy Magazine, 86, 3453-3475 [3] Xing, H. L., Mora, P.(2006). Construction of an intraplate fault system model of South Australia, and simulation tool for the iSERVO institute seed project.. Pure and Applied Geophysics. 163, 2297-2316. DOI 10.1007/s00024-006-0127-x

Novel Quantum Phases at Interfaces

DTIC Science & Technology

2014-12-12

89.085122 Mehdi Kargarian, Gregory A. Fiete. Multiorbital effects on thermoelectric properties of strongly correlated materials , Physical Review B...Multi-orbital Effects on Thermoelectric Properties of Strongly Correlated Materials , ArXiv e-prints (08 2013) Joseph Maciejko, Victor Chua...Lei Wang , Gregory A. Fiete. Finite- size and interaction effects on topological phase transitions via numerically exact quantum Monte Carlo

Electrically tunable Dicke effect in a double-ring resonator

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

Cetin, A. E.; Muestecaplioglu, Oe. E.; Department of Physics, Koc University, Sariyer, Istanbul 34450

We study the finite-element method analysis of the Dicke effect using numerical simulations in an all-optical system of an optical waveguide side-coupled to two interacting ring resonators in a liquid crystal environment. The system is shown to exhibit all the signatures of the Dicke effect under active and reversible control by an applied voltage.

Rigid body formulation in a finite element context with contact interaction

NASA Astrophysics Data System (ADS)

Refachinho de Campos, Paulo R.; Gay Neto, Alfredo

2018-03-01

The present work proposes a formulation to employ rigid bodies together with flexible bodies in the context of a nonlinear finite element solver, with contact interactions. Inertial contributions due to distribution of mass of a rigid body are fully developed, considering a general pole position associated with a single node, representing a rigid body element. Additionally, a mechanical constraint is proposed to connect a rigid region composed by several nodes, which is useful for linking rigid/flexible bodies in a finite element environment. Rodrigues rotation parameters are used to describe finite rotations, by an updated Lagrangian description. In addition, the contact formulation entitled master-surface to master-surface is employed in conjunction with the rigid body element and flexible bodies, aiming to consider their interaction in a rigid-flexible multibody environment. New surface parameterizations are presented to establish contact pairs, permitting pointwise interaction in a frictional scenario. Numerical examples are provided to show robustness and applicability of the methods.

Effects of stochastic noise on dynamical decoupling procedures

NASA Astrophysics Data System (ADS)

Bernád, J. Z.; Frydrych, H.

2014-06-01

Dynamical decoupling is an important tool to counter decoherence and dissipation effects in quantum systems originating from environmental interactions. It has been used successfully in many experiments; however, there is still a gap between fidelity improvements achieved in practice compared to theoretical predictions. We propose a model for imperfect dynamical decoupling based on a stochastic Ito differential equation which could explain the observed gap. We discuss the impact of our model on the time evolution of various quantum systems in finite- and infinite-dimensional Hilbert spaces. Analytical results are given for the limit of continuous control, whereas we present numerical simulations and upper bounds for the case of finite control.

Improving the In-Medium Similarity Renormalization Group via approximate inclusion of three-body effects

NASA Astrophysics Data System (ADS)

Morris, Titus; Bogner, Scott

2016-09-01

The In-Medium Similarity Renormalization Group (IM-SRG) has been applied successfully to the ground state of closed shell finite nuclei. Recent work has extended its ability to target excited states of these closed shell systems via equation of motion methods, and also complete spectra of the whole SD shell via effective shell model interactions. A recent alternative method for solving of the IM-SRG equations, based on the Magnus expansion, not only provides a computationally feasible route to producing observables, but also allows for approximate handling of induced three-body forces. Promising results for several systems, including finite nuclei, will be presented and discussed.

The GPRIME approach to finite element modeling

NASA Technical Reports Server (NTRS)

Wallace, D. R.; Mckee, J. H.; Hurwitz, M. M.

1983-01-01

GPRIME, an interactive modeling system, runs on the CDC 6000 computers and the DEC VAX 11/780 minicomputer. This system includes three components: (1) GPRIME, a user friendly geometric language and a processor to translate that language into geometric entities, (2) GGEN, an interactive data generator for 2-D models; and (3) SOLIDGEN, a 3-D solid modeling program. Each component has a computer user interface of an extensive command set. All of these programs make use of a comprehensive B-spline mathematics subroutine library, which can be used for a wide variety of interpolation problems and other geometric calculations. Many other user aids, such as automatic saving of the geometric and finite element data bases and hidden line removal, are available. This interactive finite element modeling capability can produce a complete finite element model, producing an output file of grid and element data.

Magnetic plasmon propagation along a chain of connected subwavelength resonators at infrared frequencies.

PubMed

Liu, H; Genov, D A; Wu, D M; Liu, Y M; Steele, J M; Sun, C; Zhu, S N; Zhang, X

2006-12-15

A one-dimensional magnetic plasmon propagating in a linear chain of single split ring resonators is proposed. The subwavelength size resonators interact mainly through exchange of conduction current, resulting in stronger coupling as compared to the corresponding magneto-inductive interaction. Finite-difference time-domain simulations in conjunction with a developed analytical theory show that efficient energy transfer with signal attenuation of less then 0.57 dB/microm and group velocity higher than 1/4c can be achieved. The proposed novel mechanism of energy transport in the nanoscale has potential applications in subwavelength transmission lines for a wide range of integrated optical devices.

Explicit inclusion of nonlocality in ( d , p ) transfer reactions

DOE PAGES

Titus, L. J.; Nunes, F. M.; Potel, G.

2016-01-06

Traditionally, nucleon-nucleus optical potentials are made local for convenience. In recent work we studied the effects of including nonlocal interactions explicitly in the final state for (d,p) reactions, within the distorted wave Born approximation. Our goal in this work is to develop an improved formalism for nonlocal interactions that includes deuteron breakup and to use it to study the effects of including nonlocal interactions in transfer (d,p) reactions, in both the deuteron and the proton channel. We extend the finite-range adiabatic distorted wave approximation to include nonlocal nucleon optical potentials. We apply our method to (d,p) reactions on 16O, 40Ca,more » 48Ca, 126Sn, 132Sn, and 208Pb at 10, 20 and 50 MeV. Here, we find that nonlocality in the deuteron scattering state reduces the amplitude of the wave function in the nuclear interior, and shifts the wave function outward. In many cases, this has the effect of increasing the transfer cross section at the first peak of the angular distributions. This increase was most significant for heavy targets and for reactions at high energies. Lastly, our systematic study shows that, if only local optical potentials are used in the analysis of experimental (d, p) transfer cross sections, the extracted spectroscopic factors may be incorrect by up to 40% due to the local approximation.« less

Nonlinear crack analysis with finite elements

NASA Technical Reports Server (NTRS)

Armen, H., Jr.; Saleme, E.; Pifko, A.; Levine, H. S.

1973-01-01

The application of finite element techniques to the analytic representation of the nonlinear behavior of arbitrary two-dimensional bodies containing cracks is discussed. Specific methods are proposed using which it should be possible to obtain information concerning: the description of the maximum, minimum, and residual near-tip stress and strain fields; the effects of crack closure on the near-tip behavior of stress and strain fields during cyclic loading into the plastic range; the stress-strain and displacement field behavior associated with a nonstationary crack; and the effects of large rotation near the crack tip.

Methods for High-Order Multi-Scale and Stochastic Problems Analysis, Algorithms, and Applications

DTIC Science & Technology

2016-10-17

finite volume schemes, discontinuous Galerkin finite element method, and related methods, for solving computational fluid dynamics (CFD) problems and...approximation for finite element methods. (3) The development of methods of simulation and analysis for the study of large scale stochastic systems of...laws, finite element method, Bernstein-Bezier finite elements , weakly interacting particle systems, accelerated Monte Carlo, stochastic networks 16

Lack of a thermodynamic finite-temperature spin-glass phase in the two-dimensional randomly coupled ferromagnet

NASA Astrophysics Data System (ADS)

Zhu, Zheng; Ochoa, Andrew J.; Katzgraber, Helmut G.

2018-05-01

The search for problems where quantum adiabatic optimization might excel over classical optimization techniques has sparked a recent interest in inducing a finite-temperature spin-glass transition in quasiplanar topologies. We have performed large-scale finite-temperature Monte Carlo simulations of a two-dimensional square-lattice bimodal spin glass with next-nearest ferromagnetic interactions claimed to exhibit a finite-temperature spin-glass state for a particular relative strength of the next-nearest to nearest interactions [Phys. Rev. Lett. 76, 4616 (1996), 10.1103/PhysRevLett.76.4616]. Our results show that the system is in a paramagnetic state in the thermodynamic limit, despite zero-temperature simulations [Phys. Rev. B 63, 094423 (2001), 10.1103/PhysRevB.63.094423] suggesting the existence of a finite-temperature spin-glass transition. Therefore, deducing the finite-temperature behavior from zero-temperature simulations can be dangerous when corrections to scaling are large.

The new finite temperature Schrödinger equations with strong or weak interaction

NASA Astrophysics Data System (ADS)

Li, Heling; Yang, Bin; Shen, Hongjun

2017-07-01

Implanting the thoughtway of thermostatistics into quantum mechanics, we formulate new Schrödinger equations of multi-particle and single-particle respectively at finite temperature. To get it, the pure-state free energies and the microscopic entropy operators are introduced and meantime the pure-state free energies take the places of mechanical energies at finite temperature. The definition of microscopic entropy introduced by Wu was also revised, and the strong or weak interactions dependent on temperature are considered in multi-particle Schrödinger Equations. Based on the new Schrödinger equation at finite temperature, two simple cases were analyzed. The first one is concerning some identical harmonic oscillators in N lattice points and the other one is about N unrelated particles in three dimensional in finite potential well. From the results gotten, we conclude that the finite temperature Schrödinger equation is particularly important for mesoscopic systems.

Wavelet and Multiresolution Analysis for Finite Element Networking Paradigms

NASA Technical Reports Server (NTRS)

Kurdila, Andrew J.; Sharpley, Robert C.

1999-01-01

This paper presents a final report on Wavelet and Multiresolution Analysis for Finite Element Networking Paradigms. The focus of this research is to derive and implement: 1) Wavelet based methodologies for the compression, transmission, decoding, and visualization of three dimensional finite element geometry and simulation data in a network environment; 2) methodologies for interactive algorithm monitoring and tracking in computational mechanics; and 3) Methodologies for interactive algorithm steering for the acceleration of large scale finite element simulations. Also included in this report are appendices describing the derivation of wavelet based Particle Image Velocity algorithms and reduced order input-output models for nonlinear systems by utilizing wavelet approximations.

Analytic calculation of finite-population reproductive numbers for direct- and vector-transmitted diseases with homogeneous mixing.

PubMed

Keegan, Lindsay; Dushoff, Jonathan

2014-05-01

The basic reproductive number, R0, provides a foundation for evaluating how various factors affect the incidence of infectious diseases. Recently, it has been suggested that, particularly for vector-transmitted diseases, R0 should be modified to account for the effects of finite host population within a single disease transmission generation. Here, we use a transmission factor approach to calculate such "finite-population reproductive numbers," under the assumption of homogeneous mixing, for both vector-borne and directly transmitted diseases. In the case of vector-borne diseases, we estimate finite-population reproductive numbers for both host-to-host and vector-to-vector generations, assuming that the vector population is effectively infinite. We find simple, interpretable formulas for all three of these quantities. In the direct case, we find that finite-population reproductive numbers diverge from R0 before R0 reaches half of the population size. In the vector-transmitted case, we find that the host-to-host number diverges at even lower values of R0, while the vector-to-vector number diverges very little over realistic parameter ranges.

Anomalous group velocity at the high energy range of real 3D photonic nanostructures

NASA Astrophysics Data System (ADS)

Botey, Muriel; Martorell, Jordi; Lozano, Gabriel; Míguez, Hernán; Dorado, Luis A.; Depine, Ricardo A.

2010-05-01

We perform a theoretical study on the group velocity for finite thin artificial opal slabs made of a reduced number of layers in the spectral range where the light wavelength is on the order of the lattice parameter. The vector KKR method including extinction allows us to evaluate the finite-size effects on light propagation in the ΓL and ΓX directions of fcc close-packed opal films made of dielectric spheres. The group is index determined from the phase delay introduced by the structure to the forwardly transmitted electric field. We show that for certain frequencies, light propagation can either be superluminal -positive or negative- or approach zero depending on the crystal size and absorption. Such anomalous behavior can be attributed to the finite character of the structure and provides confirmation of recently emerged experimental results.

A meta-model analysis of a finite element simulation for defining poroelastic properties of intervertebral discs.

PubMed

Nikkhoo, Mohammad; Hsu, Yu-Chun; Haghpanahi, Mohammad; Parnianpour, Mohamad; Wang, Jaw-Lin

2013-06-01

Finite element analysis is an effective tool to evaluate the material properties of living tissue. For an interactive optimization procedure, the finite element analysis usually needs many simulations to reach a reasonable solution. The meta-model analysis of finite element simulation can be used to reduce the computation of a structure with complex geometry or a material with composite constitutive equations. The intervertebral disc is a complex, heterogeneous, and hydrated porous structure. A poroelastic finite element model can be used to observe the fluid transferring, pressure deviation, and other properties within the disc. Defining reasonable poroelastic material properties of the anulus fibrosus and nucleus pulposus is critical for the quality of the simulation. We developed a material property updating protocol, which is basically a fitting algorithm consisted of finite element simulations and a quadratic response surface regression. This protocol was used to find the material properties, such as the hydraulic permeability, elastic modulus, and Poisson's ratio, of intact and degenerated porcine discs. The results showed that the in vitro disc experimental deformations were well fitted with limited finite element simulations and a quadratic response surface regression. The comparison of material properties of intact and degenerated discs showed that the hydraulic permeability significantly decreased but Poisson's ratio significantly increased for the degenerated discs. This study shows that the developed protocol is efficient and effective in defining material properties of a complex structure such as the intervertebral disc.

Features of statistical dynamics in a finite system

NASA Astrophysics Data System (ADS)

Yan, Shiwei; Sakata, Fumihiko; Zhuo, Yizhong

2002-03-01

We study features of statistical dynamics in a finite Hamilton system composed of a relevant one degree of freedom coupled to an irrelevant multidegree of freedom system through a weak interaction. Special attention is paid on how the statistical dynamics changes depending on the number of degrees of freedom in the irrelevant system. It is found that the macrolevel statistical aspects are strongly related to an appearance of the microlevel chaotic motion, and a dissipation of the relevant motion is realized passing through three distinct stages: dephasing, statistical relaxation, and equilibrium regimes. It is clarified that the dynamical description and the conventional transport approach provide us with almost the same macrolevel and microlevel mechanisms only for the system with a very large number of irrelevant degrees of freedom. It is also shown that the statistical relaxation in the finite system is an anomalous diffusion and the fluctuation effects have a finite correlation time.

Features of statistical dynamics in a finite system.

PubMed

Yan, Shiwei; Sakata, Fumihiko; Zhuo, Yizhong

2002-03-01

We study features of statistical dynamics in a finite Hamilton system composed of a relevant one degree of freedom coupled to an irrelevant multidegree of freedom system through a weak interaction. Special attention is paid on how the statistical dynamics changes depending on the number of degrees of freedom in the irrelevant system. It is found that the macrolevel statistical aspects are strongly related to an appearance of the microlevel chaotic motion, and a dissipation of the relevant motion is realized passing through three distinct stages: dephasing, statistical relaxation, and equilibrium regimes. It is clarified that the dynamical description and the conventional transport approach provide us with almost the same macrolevel and microlevel mechanisms only for the system with a very large number of irrelevant degrees of freedom. It is also shown that the statistical relaxation in the finite system is an anomalous diffusion and the fluctuation effects have a finite correlation time.

Thermal conductivity of hybrid short fiber composites

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

Dunn, M.L.; Taya, M.; Hatta, H.

1993-01-01

A combined analytical/experimental study has been undertaken to investigate the effective thermal conductivity of hybrid composite materials. The analysis utilizes the equivalent inclusion approach for steady state heat conduction (Hatta and Taya, 1986) through which the interaction between the various reinforcing phases at finite concentrations is approximated by the Mori-Tanaka (1973) mean field approach. The multiple reinforcing phases of the composite are modeled as ellipsoidal in shape and thus can simulate a wide range of microstructural geometries ranging from thin platelet to continuous fiber reinforcement. The case when one phase of the composite is penny-shaped microcracks is studied in detail.more » Multiphase composites consisting of a Kerimid matrix and Al2O3 short fibers and Si3N4 whiskers were fabricated and, after a careful study of their microstructure, their thermal conductivities were measured. Analytical predictions are shown to be in good agreement with experimental results obtained for the Al2O3/Si3N4/Kerimid short fiber composites. 26 refs.« less

Transverse single-file diffusion and enhanced longitudinal diffusion near a subcritical bifurcation

NASA Astrophysics Data System (ADS)

Dessup, Tommy; Coste, Christophe; Saint Jean, Michel

2018-05-01

A quasi-one-dimensional system of repelling particles undergoes a configurational phase transition when the transverse confining potential decreases. Below a threshold, it becomes energetically favorable for the system to adopt one of two staggered raw patterns, symmetric with respect to the system axis. This transition is a subcritical pitchfork bifurcation for short range interactions. As a consequence, the homogeneous zigzag pattern is unstable in a finite zigzag amplitude range [hC 1,hC 2] . We exhibit strong qualitative effects of the subcriticality on the thermal motions of the particles. When the zigzag amplitude is close enough to the limits hC 1 and hC 2, a transverse vibrational soft mode occurs which induces a strongly subdiffusive behavior of the transverse fluctuations, similar to single-file diffusion. On the contrary, the longitudinal fluctuations are enhanced, with a diffusion coefficient which is more than doubled. Conversely, a simple measurement of the thermal fluctuations allows a precise determination of the bifurcation thresholds.

Finite-density transition line for QCD with 695 MeV dynamical fermions

NASA Astrophysics Data System (ADS)

Greensite, Jeff; Höllwieser, Roman

2018-06-01

We apply the relative weights method to SU(3) gauge theory with staggered fermions of mass 695 MeV at a set of temperatures in the range 151 ≤T ≤267 MeV , to obtain an effective Polyakov line action at each temperature. We then apply a mean field method to search for phase transitions in the effective theory at finite densities. The result is a transition line in the plane of temperature and chemical potential, with an end point at high temperature, as expected, but also a second end point at a lower temperature. We cannot rule out the possibilities that a transition line reappears at temperatures lower than the range investigated, or that the second end point is absent for light quarks.

Computer-simulation study of a disordered classical spin system in one dimension with long-range anisotropic ferromagnetic interactions

NASA Astrophysics Data System (ADS)

Romano, S.

1992-01-01

The present paper considers a classical system, consisting of n-component unit vectors (n=2 or 3), associated with a one-dimensional lattice \\{uk||k∈openZ\\}, and interacting via a translationally invariant pair potential of the long-range, ferromagnetic and anisotropic form W=Wjk=-ɛ||j-k||-2(auj,nuk,n +b tsumλ

Finite element simulation of texture evolution and Swift effect in NiAl under torsion

NASA Astrophysics Data System (ADS)

Böhlke, Thomas; Glüge, Rainer; Klöden, Burghardt; Skrotzki, Werner; Bertram, Albrecht

2007-09-01

The texture evolution and the Swift effect in NiAl under torsion at 727 °C are studied by finite element simulations for two different initial textures. The material behaviour is modelled by an elastic-viscoplastic Taylor model. In order to overcome the well-known shortcomings of Taylor's approach, the texture evolution is also investigated by a representative volume element (RVE) with periodic boundary conditions and a compatible microstructure at the opposite faces of the RVE. Such a representative volume element takes into account the grain morphology and the grain interaction. The numerical results are compared with experimental data. It is shown that the modelling of a finite element based RVE leads to a better prediction of the final textures. However, the texture evolution path is not accounted for correctly. The simulated Swift effect depends much more on the initial orientation distribution than observed in experiment. Deviations between simulation and experiment may be due to continuous dynamic recrystallization.

Mass spectrum and decay constants of radially excited vector mesons

NASA Astrophysics Data System (ADS)

Mojica, Fredy F.; Vera, Carlos E.; Rojas, Eduardo; El-Bennich, Bruno

2017-07-01

We calculate the masses and weak decay constants of flavorless and flavored ground and radially excited JP=1- mesons within a Poincaré covariant continuum framework based on the Bethe-Salpeter equation. We use in both the quark's gap equation and the meson bound-state equation an infrared massive and finite interaction in the leading symmetry-preserving truncation. While our numerical results are in rather good agreement with experimental values where they are available, no single parametrization of the QCD inspired interaction reproduces simultaneously the ground and excited mass spectrum, which confirms earlier work on pseudoscalar mesons. This feature being a consequence of the lowest truncation, we pin down the range and strength of the interaction in both cases to identify common qualitative features that may help to tune future interaction models beyond the rainbow-ladder approximation.

Absence of spontaneous magnetic order of lattice spins coupled to itinerant interacting electrons in one and two dimensions.

PubMed

Loss, Daniel; Pedrocchi, Fabio L; Leggett, Anthony J

2011-09-02

We extend the Mermin-Wagner theorem to a system of lattice spins which are spin coupled to itinerant and interacting charge carriers. We use the Bogoliubov inequality to rigorously prove that neither (anti-) ferromagnetic nor helical long-range order is possible in one and two dimensions at any finite temperature. Our proof applies to a wide class of models including any form of electron-electron and single-electron interactions that are independent of spin. In the presence of Rashba or Dresselhaus spin-orbit interactions (SOI) magnetic order is not excluded and intimately connected to equilibrium spin currents. However, in the special case when Rashba and Dresselhaus SOIs are tuned to be equal, magnetic order is excluded again. This opens up a new possibility to control magnetism electrically.

A fast hidden line algorithm for plotting finite element models

NASA Technical Reports Server (NTRS)

Jones, G. K.

1982-01-01

Effective plotting of finite element models requires the use of fast hidden line plot techniques that provide interactive response. A high speed hidden line technique was developed to facilitate the plotting of NASTRAN finite element models. Based on testing using 14 different models, the new hidden line algorithm (JONES-D) appears to be very fast: its speed equals that for normal (all lines visible) plotting and when compared to other existing methods it appears to be substantially faster. It also appears to be very reliable: no plot errors were observed using the new method to plot NASTRAN models. The new algorithm was made part of the NPLOT NASTRAN plot package and was used by structural analysts for normal production tasks.

Finite-element analysis of NiTi wire deflection during orthodontic levelling treatment

NASA Astrophysics Data System (ADS)

Razali, M. F.; Mahmud, A. S.; Mokhtar, N.; Abdullah, J.

2016-02-01

Finite-element analysis is an important product development tool in medical devices industry for design and failure analysis of devices. This tool helps device designers to quickly explore various design options, optimizing specific designs and providing a deeper insight how a device is actually performing. In this study, three-dimensional finite-element models of superelastic nickel-titanium arch wire engaged in a three brackets system were developed. The aim was to measure the effect of binding friction developed on wire-bracket interaction towards the remaining recovery force available for tooth movement. Uniaxial and three brackets bending test were modelled and validated against experimental works. The prediction made by the three brackets bending models shows good agreement with the experimental results.

Size-dependent chemical transformation, structural phase-change, and optical properties of nanowires

PubMed Central

Piccione, Brian; Agarwal, Rahul; Jung, Yeonwoong; Agarwal, Ritesh

2013-01-01

Nanowires offer a unique approach for the bottom up assembly of electronic and photonic devices with the potential of integrating photonics with existing technologies. The anisotropic geometry and mesoscopic length scales of nanowires also make them very interesting systems to study a variety of size-dependent phenomenon where finite size effects become important. We will discuss the intriguing size-dependent properties of nanowire systems with diameters in the 5 – 300 nm range, where finite size and interfacial phenomena become more important than quantum mechanical effects. The ability to synthesize and manipulate nanostructures by chemical methods allows tremendous versatility in creating new systems with well controlled geometries, dimensions and functionality, which can then be used for understanding novel processes in finite-sized systems and devices. PMID:23997656

Combustion: Structural interaction in a viscoelastic material

NASA Technical Reports Server (NTRS)

Chang, T. Y.; Chang, J. P.; Kumar, M.; Kuo, K. K.

1980-01-01

The effect of interaction between combustion processes and structural deformation of solid propellant was considered. The combustion analysis was performed on the basis of deformed crack geometry, which was determined from the structural analysis. On the other hand, input data for the structural analysis, such as pressure distribution along the crack boundary and ablation velocity of the crack, were determined from the combustion analysis. The interaction analysis was conducted by combining two computer codes, a combustion analysis code and a general purpose finite element structural analysis code.

ISPAN (Interactive Stiffened Panel Analysis): A tool for quick concept evaluation and design trade studies

NASA Technical Reports Server (NTRS)

Hairr, John W.; Dorris, William J.; Ingram, J. Edward; Shah, Bharat M.

1993-01-01

Interactive Stiffened Panel Analysis (ISPAN) modules, written in FORTRAN, were developed to provide an easy to use tool for creating finite element models of composite material stiffened panels. The modules allow the user to interactively construct, solve and post-process finite element models of four general types of structural panel configurations using only the panel dimensions and properties as input data. Linear, buckling and post-buckling solution capability is provided. This interactive input allows rapid model generation and solution by non finite element users. The results of a parametric study of a blade stiffened panel are presented to demonstrate the usefulness of the ISPAN modules. Also, a non-linear analysis of a test panel was conducted and the results compared to measured data and previous correlation analysis.

"Group IV Nanomembranes, Nanoribbons, and Quantum Dots: Processing, Characterization, and Novel Devices"

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

liu, feng

This theoretical project has been carried out in close interaction with the experimental project at UW-Madison under the same title led by PI Max Lagally and co-PI Mark Eriksson. Extensive computational studies have been performed to address a broad range of topics from atomic structure, stability, mechanical property, to electronic structure, optoelectronic and transport properties of various nanoarchitectures in the context of Si and other solid nanomembranes. These have been done by using combinations of different theoretical and computational approaches, ranging from first-principles calculations and molecular dynamics (MD) simulations to finite-element (FE) analyses and continuum modeling.

Large-Scale Description of Interacting One-Dimensional Bose Gases: Generalized Hydrodynamics Supersedes Conventional Hydrodynamics

NASA Astrophysics Data System (ADS)

Doyon, Benjamin; Dubail, Jérôme; Konik, Robert; Yoshimura, Takato

2017-11-01

The theory of generalized hydrodynamics (GHD) was recently developed as a new tool for the study of inhomogeneous time evolution in many-body interacting systems with infinitely many conserved charges. In this Letter, we show that it supersedes the widely used conventional hydrodynamics (CHD) of one-dimensional Bose gases. We illustrate this by studying "nonlinear sound waves" emanating from initial density accumulations in the Lieb-Liniger model. We show that, at zero temperature and in the absence of shocks, GHD reduces to CHD, thus for the first time justifying its use from purely hydrodynamic principles. We show that sharp profiles, which appear in finite times in CHD, immediately dissolve into a higher hierarchy of reductions of GHD, with no sustained shock. CHD thereon fails to capture the correct hydrodynamics. We establish the correct hydrodynamic equations, which are finite-dimensional reductions of GHD characterized by multiple, disjoint Fermi seas. We further verify that at nonzero temperature, CHD fails at all nonzero times. Finally, we numerically confirm the emergence of hydrodynamics at zero temperature by comparing its predictions with a full quantum simulation performed using the NRG-TSA-abacus algorithm. The analysis is performed in the full interaction range, and is not restricted to either weak- or strong-repulsion regimes.

Numerical investigation of nonlinear fluid-structure interaction dynamic behaviors under a general Immersed Boundary-Lattice Boltzmann-Finite Element method

NASA Astrophysics Data System (ADS)

Gong, Chun-Lin; Fang, Zhe; Chen, Gang

A numerical approach based on the immersed boundary (IB), lattice Boltzmann and nonlinear finite element method (FEM) is proposed to simulate hydrodynamic interactions of very flexible objects. In the present simulation framework, the motion of fluid is obtained by solving the discrete lattice Boltzmann equations on Eulerian grid, the behaviors of flexible objects are calculated through nonlinear dynamic finite element method, and the interactive forces between them are implicitly obtained using velocity correction IB method which satisfies the no-slip conditions well at the boundary points. The efficiency and accuracy of the proposed Immersed Boundary-Lattice Boltzmann-Finite Element method is first validated by a fluid-structure interaction (F-SI) benchmark case, in which a flexible filament flaps behind a cylinder in channel flow, then the nonlinear vibration mechanism of the cylinder-filament system is investigated by altering the Reynolds number of flow and the material properties of filament. The interactions between two tandem and side-by-side identical objects in a uniform flow are also investigated, and the in-phase and out-of-phase flapping behaviors are captured by the proposed method.

A nonlinear investigation of the stationary modes of instability of the three-dimensional compressible boundary layer due to a rotating disc

NASA Technical Reports Server (NTRS)

Seddougui, Sharon O.

1989-01-01

The effects of compressibility on a stationary mode of instability of the 3-D boundary layer due to a rotating disc are investigated. The aim is to determine whether this mode will be important in the finite amplitude destabilization of the boundary layer. This stationary mode is characterized by the effective velocity profile having zero shear stress at the wall. Triple-deck solutions are presented for an adiabatic wall and an isothermal wall. It is found that this stationary mode is only possible over a finite range of Mach numbers. Asymptotic solutions are obtained which describe the structure of the wavenumber and the orientation of these modes as functions of the local Mach number. The effects of nonlinearity are investigated allowing the finite amplitude growth of a disturbance close to the neutral location to be described.

Quantum Effects in Cation Interactions with First and Second Coordination Shell Ligands in Metalloproteins

PubMed Central

2015-01-01

Despite decades of investigations, the principal mechanisms responsible for the high affinity and specificity of proteins for key physiological cations K+, Na+, and Ca2+ remain a hotly debated topic. At the core of the debate is an apparent need (or lack thereof) for an accurate description of the electrostatic response of the charge distribution in a protein to the binding of an ion. These effects range from partial electronic polarization of the directly ligating atoms to long-range effects related to partial charge transfer and electronic delocalization effects. While accurate modeling of cation recognition by metalloproteins warrants the use of quantum-mechanics (QM) calculations, the most popular approximations used in major biomolecular simulation packages rely on the implicit modeling of electronic polarization effects. That is, high-level QM computations for ion binding to proteins are desirable, but they are often unfeasible, because of the large size of the reactive-site models and the need to sample conformational space exhaustively at finite temperature. Several solutions to this challenge have been proposed in the field, ranging from the recently developed Drude polarizable force-field for simulations of metalloproteins to approximate tight-binding density functional theory (DFTB). To delineate the usefulness of different approximations, we examined the accuracy of three recent and commonly used theoretical models and numerical algorithms, namely, CHARMM C36, the latest developed Drude polarizable force fields, and DFTB3 with the latest 3OB parameters. We performed MD simulations for 30 cation-selective proteins with high-resolution X-ray structures to create ensembles of structures for analysis with different levels of theory, e.g., additive and polarizable force fields, DFTB3, and DFT. The results from DFT computations were used to benchmark CHARMM C36, Drude, and DFTB3 performance. The explicit modeling of quantum effects unveils the key electrostatic properties of the protein sites and the importance of specific ion-protein interactions. One of the most interesting findings is that secondary coordination shells of proteins are noticeably perturbed in a cation-dependent manner, showing significant delocalization and long-range effects of charge transfer and polarization upon binding Ca2+. PMID:26574284

Enhanced optical transmission through a star-shaped bull's eye at dual resonant-bands in UV and the visible spectral range.

PubMed

Nazari, Tavakol; Khazaeinezhad, Reza; Jung, Woohyun; Joo, Boram; Kong, Byung-Joo; Oh, Kyunghwan

2015-07-13

Dual resonant bands in UV and the visible range were simultaneously observed in the enhanced optical transmission (EOT) through star-shaped plasmonic structures. EOTs through four types of polygonal bull's eyes with a star aperture surrounded by the concentric star grooves were analyzed and compared for 3, 4, 5, and 6 corners, using finite difference time domain (FDTD) method. In contrast to plasmonic resonances in the visible range, the UV-band resonance intensity was found to scale with the number of corners, which is related with higher order multipole interactions. Spectral positions and relative intensities of the dual resonances were analyzed parametrically to find optimal conditions to maximize EOT in UV-visible dual bands.

Vegetation pattern formation in semiarid systems induced by long-range competition in the absence of facilitation mechanisms.

NASA Astrophysics Data System (ADS)

Martinez-Garcia, Ricardo; Calabrese, Justin M.; Hernandez-Garcia, Emilio; Lopez, Cristobal

2014-05-01

Regular patterns and spatial organization of vegetation have been observed in many arid and semiarid ecosystems worldwide, covering a diverse range of plant taxa and soil types. A key common ingredient in these systems is that plant growth is severely limited by water availability, and thus plants likely compete strongly for water. The study of such patterns is especially interesting because their features may reveal much about the underlying physical and biological processes that generated them in addition to giving information on the characteristics of the ecosystem. It is possible, for instance, to infer their resilience against anthropogenic disturbances or climatic changes that could cause abrupt shifts in the system and lead it to a desert state. Therefore much research has focused on identifying the underlying mechanisms that can produce spatial patterning in water-limited systems (Klausmeier, 1999). They are believed to arise from the interplay between long-range competition and facilitation processes acting at smaller distances (Borgogno et al., 2009). This combination of mechanisms is justified by arguing that water percolates more readily through the soil in vegetated areas (short range), and that plants compete for water resources over greater distances via long lateral roots (long range). However, recent studies have shown that even in the limit of local facilitation patterns may still appear (Martinez-Garcia et al., 2013). In this work (Martinez-Garcia et al., 2013b), we show that, under rather general conditions, long-range competition alone is the minimal ingredient to shape gapped and stripped vegetation patterns typical of models that also account for facilitation in addition to competition. To this end we propose a simple, general model for the dynamics of vegetation, which includes only long-range competition between plants. Competition is introduced through a nonlocal term, where the kernel function quantifies the intensity of the interaction and its range. When the finite range of the competitive interaction is considered used kernel functions with a finite range, whose Fourier transform may have negative values, patterns emerge in the system. This is a rather general condition if we consider the finite length of the roots responsible of long-range competition for water in plant ecosystems.Therefore, our findings support the notion that, under fairly broad conditions, only competition is required for patterns to occur and suggest that the role of short-range facilitation mechanisms may not be as fundamental to pattern formation as has previously been thought. REFERENCES: C.A. Klausmeier, Science, 284, 1826-1828 (1999). F. Borgogno, P. D'Odorico, F. Laio and L. Ridolfi, Reviews of Geophysics, 4, RG1005 (2009). R. Martinez-Garcia, J.M. Calabrese, and C. Lopez, Journal of Theoretical Biology, 333, 156-165 (2013). R. Martinez-Garcia, J. M. Calabrese, E. Hernandez-Garcia, and C. Lopez, Geophysical Research Letters, 40, 6143-6147,(2013).

Numerical study on the interaction of a weak shock wave with an elliptic gas cylinder

NASA Astrophysics Data System (ADS)

Zhang, W.; Zou, L.; Zheng, X.; Wang, B.

2018-05-01

The interaction of a weak shock wave with a heavy elliptic gas cylinder is investigated by solving the Eulerian equations in two-dimensional Cartesian coordinates. An interface-capturing algorithm based on the γ -model and the finite volume weighed essential non-oscillatory scheme is employed to trace the motion of the discontinuous interface. Three gas pairs with different Atwood numbers ranging from 0.21 to 0.91 are considered, including carbon dioxide cylinder in air (air-CO_2 ), sulfur hexafluoride cylinder in air (air-SF_6 ), and krypton cylinder in helium (He-Kr). For each gas pair, the elliptic cylinder aspect ratio ranging from 1/4 to 4 is defined as the ratio of streamwise axis length to spanwise axis length. Special attention is given to the aspect ratio effects on wave patterns and circulation. With decreasing aspect ratio, the wave patterns in the interaction are summarized as transmitted shock reflection, regular interaction, and transmitted shock splitting. Based on the scaling law model of Samtaney and Zabusky (J Fluid Mech 269:45-78, 1994), a theoretical approach is developed for predicting the circulation at the time when the fastest shock wave reaches the leeward pole of the gas cylinder (i.e., the primary deposited circulation). For both prolate (i.e., the minor axis of the ellipse is along the streamwise direction) and oblate (i.e., the minor axis of the ellipse is along the spanwise direction) cases, the proposed approach is found to estimate the primary deposited circulation favorably.

Characterization of a plasma photonic crystal using a multi-fluid plasma model

NASA Astrophysics Data System (ADS)

Thomas, W. R.; Shumlak, U.; Wang, B.; Righetti, F.; Cappelli, M. A.; Miller, S. T.

2017-10-01

Plasma photonic crystals have the potential to significantly expand the capabilities of current microwave filtering and switching technologies by providing high speed (μs) control of energy band-gap/pass characteristics in the GHz through low THz range. While photonic crystals consisting of dielectric, semiconductor, and metallic matrices have seen thousands of articles published over the last several decades, plasma-based photonic crystals remain a relatively unexplored field. Numerical modeling efforts so far have largely used the standard methods of analysis for photonic crystals (the Plane Wave Expansion Method, Finite Difference Time Domain, and ANSYS finite element electromagnetic code HFSS), none of which capture nonlinear plasma-radiation interactions. In this study, a 5N-moment multi-fluid plasma model is implemented using University of Washington's WARPXM finite element multi-physics code. A two-dimensional plasma-vacuum photonic crystal is simulated and its behavior is characterized through the generation of dispersion diagrams and transmission spectra. These results are compared with theory, experimental data, and ANSYS HFSS simulation results. This research is supported by a Grant from United States Air Force Office of Scientific Research.

Probabilistic structural analysis methods for select space propulsion system components

NASA Technical Reports Server (NTRS)

Millwater, H. R.; Cruse, T. A.

1989-01-01

The Probabilistic Structural Analysis Methods (PSAM) project developed at the Southwest Research Institute integrates state-of-the-art structural analysis techniques with probability theory for the design and analysis of complex large-scale engineering structures. An advanced efficient software system (NESSUS) capable of performing complex probabilistic analysis has been developed. NESSUS contains a number of software components to perform probabilistic analysis of structures. These components include: an expert system, a probabilistic finite element code, a probabilistic boundary element code and a fast probability integrator. The NESSUS software system is shown. An expert system is included to capture and utilize PSAM knowledge and experience. NESSUS/EXPERT is an interactive menu-driven expert system that provides information to assist in the use of the probabilistic finite element code NESSUS/FEM and the fast probability integrator (FPI). The expert system menu structure is summarized. The NESSUS system contains a state-of-the-art nonlinear probabilistic finite element code, NESSUS/FEM, to determine the structural response and sensitivities. A broad range of analysis capabilities and an extensive element library is present.

User's guide for ENSAERO: A multidisciplinary program for fluid/structural/control interaction studies of aircraft (release 1)

NASA Technical Reports Server (NTRS)

Guruswamy, Guru P.

1994-01-01

Strong interactions can occur between the flow about an aerospace vehicle and its structural components resulting in several important aeroelastic phenomena. These aeroelastic phenomena can significantly influence the performance of the vehicle. At present, closed-form solutions are available for aeroelastic computations when flows are in either the linear subsonic or supersonic range. However, for aeroelasticity involving complex nonlinear flows with shock waves, vortices, flow separations, and aerodynamic heating, computational methods are still under development. These complex aeroelastic interactions can be dangerous and limit the performance of aircraft. Examples of these detrimental effects are aircraft with highly swept wings experiencing vortex-induced aeroelastic oscillations, transonic regime at which the flutter speed is low, aerothermoelastic loads that play a critical role in the design of high-speed vehicles, and flow separations that often lead to buffeting with undesirable structural oscillations. The simulation of these complex aeroelastic phenomena requires an integrated analysis of fluids and structures. This report presents a summary of the development, applications, and procedures to use the multidisciplinary computer code ENSAERO. This code is based on the Euler/Navier-Stokes flow equations and modal/finite-element structural equations.

Noncollinear magnetic ordering in the Shastry-Sutherland Kondo lattice model: Insulating regime and the role of Dzyaloshinskii-Moriya interaction

NASA Astrophysics Data System (ADS)

Shahzad, Munir; Sengupta, Pinaki

2017-12-01

We investigate the necessary conditions for the emergence of complex, noncoplanar magnetic configurations in a Kondo lattice model with classical local moments on the geometrically frustrated Shastry-Sutherland lattice and their evolution in an external magnetic field. We demonstrate that topologically nontrivial spin textures, including a new canted flux state, with nonzero scalar chirality arise dynamically from realistic short-range interactions. Our results establish that a finite Dzyaloshinskii-Moriya (DM) interaction is necessary for the emergence of these novel magnetic states when the system is at half filling, for which the ground state is insulating. We identify the minimal set of DM vectors that are necessary for the stabilization of chiral magnetic phases. The noncoplanarity of such structures can be tuned continually by applying an external magnetic field. This is the first part in a series of two papers; in the following paper the effects of frustration, thermal fluctuations, and magnetic field on the emergence of novel noncollinear states at metallic filling of itinerant electrons are discussed. Our results are crucial in understanding the magnetic and electronic properties of the rare-earth tetraboride family of frustrated magnets with separate spin and charge degrees of freedom.

Emergent phases and critical behavior in a non-Markovian open quantum system

NASA Astrophysics Data System (ADS)

Cheung, H. F. H.; Patil, Y. S.; Vengalattore, M.

2018-05-01

Open quantum systems exhibit a range of novel out-of-equilibrium behavior due to the interplay between coherent quantum dynamics and dissipation. Of particular interest in these systems are driven, dissipative transitions, the emergence of dynamical phases with novel broken symmetries, and critical behavior that lies beyond the conventional paradigm of Landau-Ginzburg phenomenology. Here, we consider a parametrically driven two-mode system in the presence of non-Markovian system-reservoir interactions. We show that the non-Markovian dynamics modifies the phase diagram of this system, resulting in the emergence of a broken symmetry phase in a universality class that has no counterpart in the corresponding Markovian system. This emergent phase is accompanied by enhanced two-mode entanglement that remains robust at finite temperatures. Such reservoir-engineered dynamical phases can potentially shed light on universal aspects of dynamical phase transitions in a wide range of nonequilibrium systems, and aid in the development of techniques for the robust generation of entanglement and quantum correlations at finite temperatures with potential applications to quantum control, state preparation, and metrology.

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Compressibility Effects on Particle-Fluid Interaction Force for Eulerian-Eulerian Simulations

NASA Astrophysics Data System (ADS)

Akiki, Georges; Francois, Marianne; Zhang, Duan

2017-11-01

Particle-fluid interaction forces are essential in modeling multiphase flows. Several models can be found in the literature based on empirical, numerical, and experimental results from various simplified flow conditions. Some of these models also account for finite Mach number effects. Using these models is relatively straightforward with Eulerian-Lagrangian calculations if the model for the total force on particles is used. In Eulerian-Eulerian simulations, however, there is the pressure gradient terms in the momentum equation for particles. For low Mach number flows, the pressure gradient force is negligible if the particle density is much greater than that of the fluid. For supersonic flows where a standing shock is present, even for a steady and uniform flow, it is unclear whether the significant pressure-gradient force should to be separated out from the particle force model. To answer this conceptual question, we perform single-sphere fully-resolved DNS simulations for a wide range of Mach numbers. We then examine whether the total force obtained from the DNS can be categorized into well-established models, such as the quasi-steady, added-mass, pressure-gradient, and history forces. Work sponsored by Advanced Simulation and Computing (ASC) program of NNSA and LDRD-CNLS of LANL.

Particle scattering by harmonically trapped Bose and Fermi gases

NASA Astrophysics Data System (ADS)

Bhattacharya, Ankita; Das, Samir; Biswas, Shyamal

2018-04-01

We have analytically explored the quantum phenomenon of particle scattering by harmonically trapped Bose and Fermi gases with the short ranged Fermi–Huang {δ }p3 interactions (Fermi 1936 Ric. Sci. 7 13; Huang and Yang 1957 Phys. Rev. 105 767) interactions among the incident particle and the scatterers. We have predicted differential scattering cross-sections and their temperature dependence in this regard. Coherent scattering even by a single boson or fermion in the finite geometry gives rise to new tool of determining energy eigenstate of the scatterer. Our predictions on the differential scattering cross-sections can be tested within the present day experimental setups, specially, for (i) 3D harmonically trapped interacting Bose–Einstein condensate (BEC), (ii) BECs in a double well, and (iii) BECs in an optical lattice.

Many-body delocalization with random vector potentials

NASA Astrophysics Data System (ADS)

Cheng, Chen; Mondaini, Rubem

2016-11-01

We study the ergodic properties of excited states in a model of interacting fermions in quasi-one-dimensional chains subjected to a random vector potential. In the noninteracting limit, we show that arbitrarily small values of this complex off-diagonal disorder trigger localization for the whole spectrum; the divergence of the localization length in the single-particle basis is characterized by a critical exponent ν which depends on the energy density being investigated. When short-range interactions are included, the localization is lost, and the system is ergodic regardless of the magnitude of disorder in finite chains. Our numerical results suggest a delocalization scheme for arbitrary small values of interactions. This finding indicates that the standard scenario of the many-body localization cannot be obtained in a model with random gauge fields.

On the theory of Lorentz gases with long range interactions

NASA Astrophysics Data System (ADS)

Nota, Alessia; Simonella, Sergio; Velázquez, Juan J. L.

We construct and study the stochastic force field generated by a Poisson distribution of sources at finite density, x1,x2,…, in ℝ3 each of them yielding a long range potential QiΦ(x - xi) with possibly different charges Qi ∈ ℝ. The potential Φ is assumed to behave typically as |x|-s for large |x|, with s > 1/2. We will denote the resulting random field as “generalized Holtsmark field”. We then consider the dynamics of one tagged particle in such random force fields, in several scaling limits where the mean free path is much larger than the average distance between the scatterers. We estimate the diffusive time scale and identify conditions for the vanishing of correlations. These results are used to obtain appropriate kinetic descriptions in terms of a linear Boltzmann or Landau evolution equation depending on the specific choices of the interaction potential.

Measurement of the thermal effects in the dispersion relation of the dust acoustic wave

NASA Astrophysics Data System (ADS)

Hoyng, Joshua; Williams, Jeremiah

2017-10-01

A complex (dusty) plasma is a four-component plasma system composed of ions, electrons, neutral particles and charged microparticles. The charged microparticles interact with, and self- consistently modify, the surrounding plasma medium; resulting in a new and unique state of matter that can support a wide range of physical phenomena. Among these is a new wave mode known as the dust acoustic, or dust density, wave (DAW). The DAW is a low- frequency, longitudinal mode that propagates through the microparticle component of the dusty plasma system and is self-excited by the energy from the ions streaming through this component. Over the past twenty years, the dust acoustic wave has been a subject of intense study and recent studies have shown that thermal effects can, in some cases, have a significant role in the measured dispersion relation. A recent theoretical model suggest that the thermal effects are, in part, due to the finite size of the dusty plasma systems that support this wave mode. In this poster, we report the results of an experimental study examining this effect over a range of experimental conditions in a weakly-coupled dusty plasma system in an rf discharge plasma. This work is supported by US National Science Foundation through Grant No. PHY-1615420.

Finite element and analytical solutions for van der Pauw and four-point probe correction factors when multiple non-ideal measurement conditions coexist

NASA Astrophysics Data System (ADS)

Reveil, Mardochee; Sorg, Victoria C.; Cheng, Emily R.; Ezzyat, Taha; Clancy, Paulette; Thompson, Michael O.

2017-09-01

This paper presents an extensive collection of calculated correction factors that account for the combined effects of a wide range of non-ideal conditions often encountered in realistic four-point probe and van der Pauw experiments. In this context, "non-ideal conditions" refer to conditions that deviate from the assumptions on sample and probe characteristics made in the development of these two techniques. We examine the combined effects of contact size and sample thickness on van der Pauw measurements. In the four-point probe configuration, we examine the combined effects of varying the sample's lateral dimensions, probe placement, and sample thickness. We derive an analytical expression to calculate correction factors that account, simultaneously, for finite sample size and asymmetric probe placement in four-point probe experiments. We provide experimental validation of the analytical solution via four-point probe measurements on a thin film rectangular sample with arbitrary probe placement. The finite sample size effect is very significant in four-point probe measurements (especially for a narrow sample) and asymmetric probe placement only worsens such effects. The contribution of conduction in multilayer samples is also studied and found to be substantial; hence, we provide a map of the necessary correction factors. This library of correction factors will enable the design of resistivity measurements with improved accuracy and reproducibility over a wide range of experimental conditions.

Finite element and analytical solutions for van der Pauw and four-point probe correction factors when multiple non-ideal measurement conditions coexist.

PubMed

Reveil, Mardochee; Sorg, Victoria C; Cheng, Emily R; Ezzyat, Taha; Clancy, Paulette; Thompson, Michael O

2017-09-01

This paper presents an extensive collection of calculated correction factors that account for the combined effects of a wide range of non-ideal conditions often encountered in realistic four-point probe and van der Pauw experiments. In this context, "non-ideal conditions" refer to conditions that deviate from the assumptions on sample and probe characteristics made in the development of these two techniques. We examine the combined effects of contact size and sample thickness on van der Pauw measurements. In the four-point probe configuration, we examine the combined effects of varying the sample's lateral dimensions, probe placement, and sample thickness. We derive an analytical expression to calculate correction factors that account, simultaneously, for finite sample size and asymmetric probe placement in four-point probe experiments. We provide experimental validation of the analytical solution via four-point probe measurements on a thin film rectangular sample with arbitrary probe placement. The finite sample size effect is very significant in four-point probe measurements (especially for a narrow sample) and asymmetric probe placement only worsens such effects. The contribution of conduction in multilayer samples is also studied and found to be substantial; hence, we provide a map of the necessary correction factors. This library of correction factors will enable the design of resistivity measurements with improved accuracy and reproducibility over a wide range of experimental conditions.

Nonlinear Legendre Spectral Finite Elements for Wind Turbine Blade Dynamics: Preprint

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

Wang, Q.; Sprague, M. A.; Jonkman, J.

2014-01-01

This paper presents a numerical implementation and examination of new wind turbine blade finite element model based on Geometrically Exact Beam Theory (GEBT) and a high-order spectral finite element method. The displacement-based GEBT is presented, which includes the coupling effects that exist in composite structures and geometric nonlinearity. Legendre spectral finite elements (LSFEs) are high-order finite elements with nodes located at the Gauss-Legendre-Lobatto points. LSFEs can be an order of magnitude more efficient that low-order finite elements for a given accuracy level. Interpolation of the three-dimensional rotation, a major technical barrier in large-deformation simulation, is discussed in the context ofmore » LSFEs. It is shown, by numerical example, that the high-order LSFEs, where weak forms are evaluated with nodal quadrature, do not suffer from a drawback that exists in low-order finite elements where the tangent-stiffness matrix is calculated at the Gauss points. Finally, the new LSFE code is implemented in the new FAST Modularization Framework for dynamic simulation of highly flexible composite-material wind turbine blades. The framework allows for fully interactive simulations of turbine blades in operating conditions. Numerical examples showing validation and LSFE performance will be provided in the final paper.« less

Effects of finite electron temperature on gradient drift instabilities in partially magnetized plasmas

NASA Astrophysics Data System (ADS)

Lakhin, V. P.; Ilgisonis, V. I.; Smolyakov, A. I.; Sorokina, E. A.; Marusov, N. A.

2018-01-01

The gradient-drift instabilities of partially magnetized plasmas in plasma devices with crossed electric and magnetic fields are investigated in the framework of the two-fluid model with finite electron temperature in an inhomogeneous magnetic field. The finite electron Larmor radius (FLR) effects are also included via the gyroviscosity tensor taking into account the magnetic field gradient. This model correctly describes the electron dynamics for k⊥ρe>1 in the sense of Padé approximants (here, k⊥ and ρe are the wavenumber perpendicular to the magnetic field and the electron Larmor radius, respectively). The local dispersion relation for electrostatic plasma perturbations with the frequency in the range between the ion and electron cyclotron frequencies and propagating strictly perpendicular to the magnetic field is derived. The dispersion relation includes the effects of the equilibrium E ×B electron current, finite ion velocity, electron inertia, electron FLR, magnetic field gradients, and Debye length effects. The necessary and sufficient condition of stability is derived, and the stability boundary is found. It is shown that, in general, the electron inertia and FLR effects stabilize the short-wavelength perturbations. In some cases, such effects completely suppress the high-frequency short-wavelength modes so that only the long-wavelength low-frequency (with respect to the lower-hybrid frequency) modes remain unstable.

Development of a Aerothermoelastic-Acoustics Simulation Capability of Flight Vehicles

NASA Technical Reports Server (NTRS)

Gupta, K. K.; Choi, S. B.; Ibrahim, A.

2010-01-01

A novel numerical, finite element based analysis methodology is presented in this paper suitable for accurate and efficient simulation of practical, complex flight vehicles. An associated computer code, developed in this connection, is also described in some detail. Thermal effects of high speed flow obtained from a heat conduction analysis are incorporated in the modal analysis which in turn affects the unsteady flow arising out of interaction of elastic structures with the air. Numerical examples pertaining to representative problems are given in much detail testifying to the efficacy of the advocated techniques. This is a unique implementation of temperature effects in a finite element CFD based multidisciplinary simulation analysis capability involving large scale computations.

To the theory of hybrid modes of the discrete spectrum in finite structures with nanocrystalline films

NASA Astrophysics Data System (ADS)

Kireeva, Anastassiya I.; Rudenok, Igor P.

2018-04-01

The profound research and physical applications of interactions of different types of waves with medium are very important. Particularly the most interesting sphere is for complex environments, which may be characterized by the increasing number of methods. Their objective analysis increased because of great applied significance. For the optical range it comes to considering the structure, the dimensions of the spatial inhomogeneity of which are comparable to the wavelength of the radiation.

Symmetry structure in discrete models of biochemical systems: natural subsystems and the weak control hierarchy in a new model of computation driven by interactions.

PubMed

Nehaniv, Chrystopher L; Rhodes, John; Egri-Nagy, Attila; Dini, Paolo; Morris, Eric Rothstein; Horváth, Gábor; Karimi, Fariba; Schreckling, Daniel; Schilstra, Maria J

2015-07-28

Interaction computing is inspired by the observation that cell metabolic/regulatory systems construct order dynamically, through constrained interactions between their components and based on a wide range of possible inputs and environmental conditions. The goals of this work are to (i) identify and understand mathematically the natural subsystems and hierarchical relations in natural systems enabling this and (ii) use the resulting insights to define a new model of computation based on interactions that is useful for both biology and computation. The dynamical characteristics of the cellular pathways studied in systems biology relate, mathematically, to the computational characteristics of automata derived from them, and their internal symmetry structures to computational power. Finite discrete automata models of biological systems such as the lac operon, the Krebs cycle and p53-mdm2 genetic regulation constructed from systems biology models have canonically associated algebraic structures (their transformation semigroups). These contain permutation groups (local substructures exhibiting symmetry) that correspond to 'pools of reversibility'. These natural subsystems are related to one another in a hierarchical manner by the notion of 'weak control'. We present natural subsystems arising from several biological examples and their weak control hierarchies in detail. Finite simple non-Abelian groups are found in biological examples and can be harnessed to realize finitary universal computation. This allows ensembles of cells to achieve any desired finitary computational transformation, depending on external inputs, via suitably constrained interactions. Based on this, interaction machines that grow and change their structure recursively are introduced and applied, providing a natural model of computation driven by interactions.

Pre and post processing using the IBM 3277 display station graphics attachment (RPQ7H0284)

NASA Technical Reports Server (NTRS)

Burroughs, S. H.; Lawlor, M. B.; Miller, I. M.

1978-01-01

A graphical interactive procedure operating under TSO and utilizing two CRT display terminals is shown to be an effective means of accomplishing mesh generation, establishing boundary conditions, and reviewing graphic output for finite element analysis activity.

Resonant Electromagnetic Interaction in Low Energy Nuclear Reactions

NASA Astrophysics Data System (ADS)

Chubb, Scott

2008-03-01

Basic ideas about how resonant electromagnetic interaction (EMI) can take place in finite solids are reviewed. These ideas not only provide a basis for conventional, electron energy band theory (which explains charge and heat transport in solids), but they also explain how through finite size effects, it is possible to create many of the kinds of effects envisioned by Giuliano Preparata. The underlying formalism predicts that the orientation of the external fields in the SPAWAR protocolootnotetextKrivit, Steven B., New Energy Times, 2007, issue 21, item 10. http://newenergytimes.com/news/2007/NET21.htm^,ootnotetextSzpak, S.; Mosier-Boss, P.A.; Gordon, F.E. Further evidence of nuclear reactions in the Pd lattice: emission of charged particles. Naturwissenschaften 94,511(2007)..has direct bearing on the emission of high-energy particles. Resonant EMI also implies that nano-scale solids, of a particular size, provide an optimal environment for initiating Low Energy Nuclear Reactions (LENR) in the PdD system.

Development of a Computationally Efficient, High Fidelity, Finite Element Based Hall Thruster Model

NASA Technical Reports Server (NTRS)

Jacobson, David (Technical Monitor); Roy, Subrata

2004-01-01

This report documents the development of a two dimensional finite element based numerical model for efficient characterization of the Hall thruster plasma dynamics in the framework of multi-fluid model. Effect of the ionization and the recombination has been included in the present model. Based on the experimental data, a third order polynomial in electron temperature is used to calculate the ionization rate. The neutral dynamics is included only through the neutral continuity equation in the presence of a uniform neutral flow. The electrons are modeled as magnetized and hot, whereas ions are assumed magnetized and cold. The dynamics of Hall thruster is also investigated in the presence of plasma-wall interaction. The plasma-wall interaction is a function of wall potential, which in turn is determined by the secondary electron emission and sputtering yield. The effect of secondary electron emission and sputter yield has been considered simultaneously, Simulation results are interpreted in the light of experimental observations and available numerical solutions in the literature.

Finite-size effects in Luther-Emery phases of Holstein and Hubbard models

NASA Astrophysics Data System (ADS)

Greitemann, J.; Hesselmann, S.; Wessel, S.; Assaad, F. F.; Hohenadler, M.

2015-12-01

The one-dimensional Holstein model and its generalizations have been studied extensively to understand the effects of electron-phonon interaction. The half-filled case is of particular interest, as it describes a transition from a metallic phase with a spin gap due to attractive backscattering to a Peierls insulator with charge-density-wave order. Our quantum Monte Carlo results support the existence of a metallic phase with dominant power-law charge correlations, as described by the Luther-Emery fixed point. We demonstrate that for Holstein and also for purely fermionic models the spin gap significantly complicates finite-size numerical studies, and explains inconsistent previous results for Luttinger parameters and phase boundaries. On the other hand, no such complications arise in spinless models. The correct low-energy theory of the spinful Holstein model is argued to be that of singlet bipolarons with a repulsive, mutual interaction. This picture naturally explains the existence of a metallic phase, but also implies that gapless Luttinger liquid theory is not applicable.

Hydrodynamic interaction of two particles in confined linear shear flow at finite Reynolds number

NASA Astrophysics Data System (ADS)

Yan, Yiguang; Morris, Jeffrey F.; Koplik, Joel

2007-11-01

We discuss the hydrodynamic interactions of two solid bodies placed in linear shear flow between parallel plane walls in a periodic geometry at finite Reynolds number. The computations are based on the lattice Boltzmann method for particulate flow, validated here by comparison to previous results for a single particle. Most of our results pertain to cylinders in two dimensions but some examples are given for spheres in three dimensions. Either one mobile and one fixed particle or else two mobile particles are studied. The motion of a mobile particle is qualitatively similar in both cases at early times, exhibiting either trajectory reversal or bypass, depending upon the initial vector separation of the pair. At longer times, if a mobile particle does not approach a periodic image of the second, its trajectory tends to a stable limit point on the symmetry axis. The effect of interactions with periodic images is to produce nonconstant asymptotic long-time trajectories. For one free particle interacting with a fixed second particle within the unit cell, the free particle may either move to a fixed point or take up a limit cycle. Pairs of mobile particles starting from symmetric initial conditions are shown to asymptotically reach either fixed points, or mirror image limit cycles within the unit cell, or to bypass one another (and periodic images) indefinitely on a streamwise periodic trajectory. The limit cycle possibility requires finite Reynolds number and arises as a consequence of streamwise periodicity when the system length is sufficiently short.

Sonic boom interaction with turbulence

NASA Technical Reports Server (NTRS)

Rusak, Zvi; Giddings, Thomas E.

1994-01-01

A recently developed transonic small-disturbance model is used to analyze the interactions of random disturbances with a weak shock. The model equation has an extended form of the classic small-disturbance equation for unsteady transonic aerodynamics. It shows that diffraction effects, nonlinear steepening effects, focusing and caustic effects and random induced vorticity fluctuations interact simultaneously to determine the development of the shock wave in space and time and the pressure field behind it. A finite-difference algorithm to solve the mixed-type elliptic hyperbolic flows around the shock wave is presented. Numerical calculations of shock wave interactions with various deterministic vorticity and temperature disturbances result in complicate shock wave structures and describe peaked as well as rounded pressure signatures behind the shock front, as were recorded in experiments of sonic booms running through atmospheric turbulence.

Mechanical principles of effects of botulinum toxin on muscle length-force characteristics: an assessment by finite element modeling.

PubMed

Turkoglu, Ahu N; Huijing, Peter A; Yucesoy, Can A

2014-05-07

Recent experiments involving muscle force measurements over a range of muscle lengths show that effects of botulinum toxin (BTX) are complex e.g., force reduction varies as a function of muscle length. We hypothesized that altered conditions of sarcomeres within active parts of partially paralyzed muscle is responsible for this effect. Using finite element modeling, the aim was to test this hypothesis and to study principles of how partial activation as a consequence of BTX affects muscle mechanics. In order to model the paralyzing effect of BTX, only 50% of the fascicles (most proximal, or middle, or most distal) of the modeled muscle were activated. For all muscle lengths, a vast majority of sarcomeres of these BTX-cases were at higher lengths than identical sarcomeres of the BTX-free muscle. Due to such "longer sarcomere effect", activated muscle parts show an enhanced potential of active force exertion (up to 14.5%). Therefore, a muscle force reduction originating exclusively from the paralyzed muscle fiber populations, is compromised by the changes of active sarcomeres leading to a smaller net force reduction. Moreover, such "compromise to force reduction" varies as a function of muscle length and is a key determinant of muscle length dependence of force reduction caused by BTX. Due to longer sarcomere effect, muscle optimum length tends to shift to a lower muscle length. Muscle fiber-extracellular matrix interactions occurring via their mutual connections along full peripheral fiber lengths (i.e., myofascial force transmission) are central to these effects. Our results may help improving our understanding of mechanisms of how the toxin secondarily affects the muscle mechanically. Copyright © 2014 Elsevier Ltd. All rights reserved.

Cyclic fatigue analysis of rocket thrust chambers. Volume 1: OFHC copper chamber low cycle fatigue

NASA Technical Reports Server (NTRS)

Miller, R. W.

1974-01-01

A three-dimensional finite element elasto-plastic strain analysis was performed for the throat section of a regeneratively cooled rocket combustion chamber. The analysis employed the RETSCP finite element computer program. The analysis included thermal and pressure loads, and the effects of temperature dependent material properties, to determine the strain range corresponding to the chamber operating cycle. The analysis was performed for chamber configuration and operating conditions corresponding to a hydrogen-oxygen combustion chamber which was fatigue tested to failure. The computed strain range at typical chamber operating conditions was used in conjunction with oxygen-free, high-conductivity (OHFC) copper isothermal fatigue test data to predict chamber low-cycle fatigue life.

Finite-time tracking control for multiple non-holonomic mobile robots based on visual servoing

NASA Astrophysics Data System (ADS)

Ou, Meiying; Li, Shihua; Wang, Chaoli

2013-12-01

This paper investigates finite-time tracking control problem of multiple non-holonomic mobile robots via visual servoing. It is assumed that the pinhole camera is fixed to the ceiling, and camera parameters are unknown. The desired reference trajectory is represented by a virtual leader whose states are available to only a subset of the followers, and the followers have only interaction. First, the camera-objective visual kinematic model is introduced by utilising the pinhole camera model for each mobile robot. Second, a unified tracking error system between camera-objective visual servoing model and desired reference trajectory is introduced. Third, based on the neighbour rule and by using finite-time control method, continuous distributed cooperative finite-time tracking control laws are designed for each mobile robot with unknown camera parameters, where the communication topology among the multiple mobile robots is assumed to be a directed graph. Rigorous proof shows that the group of mobile robots converges to the desired reference trajectory in finite time. Simulation example illustrates the effectiveness of our method.

Analyses of radiation impedances of finite cylindrical ducts

NASA Astrophysics Data System (ADS)

Shao, W.; Mechefske, C. K.

2005-08-01

To aid in understanding the characteristics of acoustic radiation from finite cylindrical ducts with infinite flanges, mathematical expressions of generalized radiation impedances at the open ends have been developed. Newton's method is used to find the complex wavenumbers of radial modes for the absorption boundary condition. The self-radiation impedances and mutual impedances for some acoustic modes are calculated for the ducts with rigid and absorption walls. The results show that the acoustical conditions of the duct walls have a significant influence on the radiation impedance. The acoustical interaction between the two open ends of the ducts cannot be neglected, especially for plane waves. To increase the wall admittance will reduce this interference effect. This study creates the possibility for simulating the sound field inside finite ducts in future work.

Conditions where random phase approximation becomes exact in the high-density limit

NASA Astrophysics Data System (ADS)

Morawetz, Klaus; Ashokan, Vinod; Bala, Renu; Pathak, Kare Narain

2018-04-01

It is shown that, in d -dimensional systems, the vertex corrections beyond the random phase approximation (RPA) or G W approximation scales with the power d -β -α of the Fermi momentum if the relation between Fermi energy and Fermi momentum is ɛf˜pfβ and the interacting potential possesses a momentum power law of ˜p-α . The condition d -β -α <0 specifies systems where RPA is exact in the high-density limit. The one-dimensional structure factor is found to be the interaction-free one in the high-density limit for contact interaction. A cancellation of RPA and vertex corrections render this result valid up to second order in contact interaction. For finite-range potentials of cylindrical wires a large-scale cancellation appears and is found to be independent of the width parameter of the wire. The proposed high-density expansion agrees with the quantum Monte Carlo simulations.

Interfacial properties of hydrosoluble polymers. Final report, June 15, 1993--June 15, 1996

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

NONE

1996-12-31

During this period, the authors treated a myriad of problems associated with the interfacial properties of macromolecules. Many of them concerned indirect interactions between surfaces engendered by intervening species. The issues ranged from colloidal forces to membrane induced coupling between embedded macromolecules (membrane-bound proteins). This report presents summaries of the following papers published as a result of this study: membrane interactions with polymers and colloids; escape transitions and force laws for compressed polymer mushrooms; interaction between finite-sized particles and end grafted polymers; one long chain among shorter chains--the Flory approach revisited; conformation of star polymers in high molecular weight solvents;more » membrane-induced interactions between inclusions; filled polymer brushes--a hydrodynamic analogy; polymer adsorption at liquid/air interfaces under lateral pressure; flow induced instability of the interface between a fluid and a gel at low Reynolds number; and fluctuation-induced forces in stacked fluid membranes.« less

Importance of elastic finite-size effects: Neutral defects in ionic compounds

DOE PAGES

Burr, P. A.; Cooper, M. W. D.

2017-09-15

Small system sizes are a well known source of error in DFT calculations, yet computational constraints frequently dictate the use of small supercells, often as small as 96 atoms in oxides and compound semiconductors. In ionic compounds, electrostatic finite size effects have been well characterised, but self-interaction of charge neutral defects is often discounted or assumed to follow an asymptotic behaviour and thus easily corrected with linear elastic theory. Here we show that elastic effect are also important in the description of defects in ionic compounds and can lead to qualitatively incorrect conclusions if inadequatly small supercells are used; moreover,more » the spurious self-interaction does not follow the behaviour predicted by linear elastic theory. Considering the exemplar cases of metal oxides with fluorite structure, we show that numerous previous studies, employing 96-atom supercells, misidentify the ground state structure of (charge neutral) Schottky defects. We show that the error is eliminated by employing larger cells (324, 768 and 1500 atoms), and careful analysis determines that elastic effects, not electrostatic, are responsible. The spurious self-interaction was also observed in non-oxide ionic compounds and irrespective of the computational method used, thereby resolving long standing discrepancies between DFT and force-field methods, previously attributed to the level of theory. The surprising magnitude of the elastic effects are a cautionary tale for defect calculations in ionic materials, particularly when employing computationally expensive methods (e.g. hybrid functionals) or when modelling large defect clusters. We propose two computationally practicable methods to test the magnitude of the elastic self-interaction in any ionic system. In commonly studies oxides, where electrostatic effects would be expected to be dominant, it is the elastic effects that dictate the need for larger supercells | greater than 96 atoms.« less

Importance of elastic finite-size effects: Neutral defects in ionic compounds

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

Burr, P. A.; Cooper, M. W. D.

Small system sizes are a well known source of error in DFT calculations, yet computational constraints frequently dictate the use of small supercells, often as small as 96 atoms in oxides and compound semiconductors. In ionic compounds, electrostatic finite size effects have been well characterised, but self-interaction of charge neutral defects is often discounted or assumed to follow an asymptotic behaviour and thus easily corrected with linear elastic theory. Here we show that elastic effect are also important in the description of defects in ionic compounds and can lead to qualitatively incorrect conclusions if inadequatly small supercells are used; moreover,more » the spurious self-interaction does not follow the behaviour predicted by linear elastic theory. Considering the exemplar cases of metal oxides with fluorite structure, we show that numerous previous studies, employing 96-atom supercells, misidentify the ground state structure of (charge neutral) Schottky defects. We show that the error is eliminated by employing larger cells (324, 768 and 1500 atoms), and careful analysis determines that elastic effects, not electrostatic, are responsible. The spurious self-interaction was also observed in non-oxide ionic compounds and irrespective of the computational method used, thereby resolving long standing discrepancies between DFT and force-field methods, previously attributed to the level of theory. The surprising magnitude of the elastic effects are a cautionary tale for defect calculations in ionic materials, particularly when employing computationally expensive methods (e.g. hybrid functionals) or when modelling large defect clusters. We propose two computationally practicable methods to test the magnitude of the elastic self-interaction in any ionic system. In commonly studies oxides, where electrostatic effects would be expected to be dominant, it is the elastic effects that dictate the need for larger supercells | greater than 96 atoms.« less

Importance of elastic finite-size effects: Neutral defects in ionic compounds

NASA Astrophysics Data System (ADS)

Burr, P. A.; Cooper, M. W. D.

2017-09-01

Small system sizes are a well-known source of error in density functional theory (DFT) calculations, yet computational constraints frequently dictate the use of small supercells, often as small as 96 atoms in oxides and compound semiconductors. In ionic compounds, electrostatic finite-size effects have been well characterized, but self-interaction of charge-neutral defects is often discounted or assumed to follow an asymptotic behavior and thus easily corrected with linear elastic theory. Here we show that elastic effects are also important in the description of defects in ionic compounds and can lead to qualitatively incorrect conclusions if inadequately small supercells are used; moreover, the spurious self-interaction does not follow the behavior predicted by linear elastic theory. Considering the exemplar cases of metal oxides with fluorite structure, we show that numerous previous studies, employing 96-atom supercells, misidentify the ground-state structure of (charge-neutral) Schottky defects. We show that the error is eliminated by employing larger cells (324, 768, and 1500 atoms), and careful analysis determines that elastic, not electrostatic, effects are responsible. The spurious self-interaction was also observed in nonoxide ionic compounds irrespective of the computational method used, thereby resolving long-standing discrepancies between DFT and force-field methods, previously attributed to the level of theory. The surprising magnitude of the elastic effects is a cautionary tale for defect calculations in ionic materials, particularly when employing computationally expensive methods (e.g., hybrid functionals) or when modeling large defect clusters. We propose two computationally practicable methods to test the magnitude of the elastic self-interaction in any ionic system. In commonly studied oxides, where electrostatic effects would be expected to be dominant, it is the elastic effects that dictate the need for larger supercells: greater than 96 atoms.

An analysis of the nucleon spectrum from lattice partially-quenched QCD

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

W. Armour; Allton, C. R.; Leinweber, Derek B.

2010-09-01

The chiral extrapolation of the nucleon mass, Mn, is investigated using data coming from 2-flavour partially-quenched lattice simulations. The leading one-loop corrections to the nucleon mass are derived for partially-quenched QCD. A large sample of lattice results from the CP-PACS Collaboration is analysed, with explicit corrections for finite lattice spacing artifacts. The extrapolation is studied using finite range regularised chiral perturbation theory. The analysis also provides a quantitative estimate of the leading finite volume corrections. It is found that the discretisation, finite-volume and partial quenching effects can all be very well described in this framework, producing an extrapolated value ofmore » Mn in agreement with experiment. This procedure is also compared with extrapolations based on polynomial forms, where the results are less encouraging.« less

Multi-Dimensional Simulation of LWR Fuel Behavior in the BISON Fuel Performance Code

NASA Astrophysics Data System (ADS)

Williamson, R. L.; Capps, N. A.; Liu, W.; Rashid, Y. R.; Wirth, B. D.

2016-11-01

Nuclear fuel operates in an extreme environment that induces complex multiphysics phenomena occurring over distances ranging from inter-atomic spacing to meters, and times scales ranging from microseconds to years. To simulate this behavior requires a wide variety of material models that are often complex and nonlinear. The recently developed BISON code represents a powerful fuel performance simulation tool based on its material and physical behavior capabilities, finite-element versatility of spatial representation, and use of parallel computing. The code can operate in full three dimensional (3D) mode, as well as in reduced two dimensional (2D) modes, e.g., axisymmetric radial-axial ( R- Z) or plane radial-circumferential ( R- θ), to suit the application and to allow treatment of global and local effects. A BISON case study was used to illustrate analysis of Pellet Clad Mechanical Interaction failures from manufacturing defects using combined 2D and 3D analyses. The analysis involved commercial fuel rods and demonstrated successful computation of metrics of interest to fuel failures, including cladding peak hoop stress and strain energy density. In comparison with a failure threshold derived from power ramp tests, results corroborate industry analyses of the root cause of the pellet-clad interaction failures and illustrate the importance of modeling 3D local effects around fuel pellet defects, which can produce complex effects including cold spots in the cladding, stress concentrations, and hot spots in the fuel that can lead to enhanced cladding degradation such as hydriding, oxidation, CRUD formation, and stress corrosion cracking.

Multi-Dimensional Simulation of LWR Fuel Behavior in the BISON Fuel Performance Code

DOE PAGES

Williamson, R. L.; Capps, N. A.; Liu, W.; ...

2016-09-27

Nuclear fuel operates in an extreme environment that induces complex multiphysics phenomena occurring over distances ranging from inter-atomic spacing to meters, and times scales ranging from microseconds to years. To simulate this behavior requires a wide variety of material models that are often complex and nonlinear. The recently developed BISON code represents a powerful fuel performance simulation tool based on its material and physical behavior capabilities, finite-element versatility of spatial representation, and use of parallel computing. The code can operate in full three dimensional (3D) mode, as well as in reduced two dimensional (2D) modes, e.g., axisymmetric radial-axial (R-Z) ormore » plane radial-circumferential (R-θ), to suit the application and to allow treatment of global and local effects. A BISON case study was used in this paper to illustrate analysis of Pellet Clad Mechanical Interaction failures from manufacturing defects using combined 2D and 3D analyses. The analysis involved commercial fuel rods and demonstrated successful computation of metrics of interest to fuel failures, including cladding peak hoop stress and strain energy density. Finally, in comparison with a failure threshold derived from power ramp tests, results corroborate industry analyses of the root cause of the pellet-clad interaction failures and illustrate the importance of modeling 3D local effects around fuel pellet defects, which can produce complex effects including cold spots in the cladding, stress concentrations, and hot spots in the fuel that can lead to enhanced cladding degradation such as hydriding, oxidation, CRUD formation, and stress corrosion cracking.« less

Jahn-Teller effect versus Hund's rule coupling in C60N-

NASA Astrophysics Data System (ADS)

Wehrli, S.; Sigrist, M.

2007-09-01

We propose variational states for the ground state and the low-energy collective rotator excitations in negatively charged C60N- ions (N=1,…,5) . The approach includes the linear electron-phonon coupling and the Coulomb interaction on the same level. The electron-phonon coupling is treated within the effective mode approximation which yields the linear t1u⊗Hg Jahn-Teller problem whereas the Coulomb interaction gives rise to Hund’s rule coupling for N=2,3,4 . The Hamiltonian has accidental SO(3) symmetry which allows an elegant formulation in terms of angular momenta. Trial states are constructed from coherent states and using projection operators onto angular momentum subspaces which results in good variational states for the complete parameter range. The evaluation of the corresponding energies is to a large extent analytical. We use the approach for a detailed analysis of the competition between Jahn-Teller effect and Hund’s rule coupling, which determines the spin state for N=2,3,4 . We calculate the low-spin-high-spin gap for N=2,3,4 as a function of the Hund’s rule coupling constant J . We find that the experimentally measured gaps suggest a coupling constant in the range J=60-80meV . Using a finite value for J , we recalculate the ground state energies of the C60N- ions and find that the Jahn-Teller energy gain is partly counterbalanced by the Hund’s rule coupling. In particular, the ground state energies for N=2,3,4 are almost equal.

Polarization effects on spectra of spherical core/shell nanostructures: Perturbation theory against finite difference approach

NASA Astrophysics Data System (ADS)

Ibral, Asmaa; Zouitine, Asmaa; Assaid, El Mahdi; El Achouby, Hicham; Feddi, El Mustapha; Dujardin, Francis

2015-02-01

Poisson equation is solved analytically in the case of a point charge placed anywhere in a spherical core/shell nanostructure, immersed in aqueous or organic solution or embedded in semiconducting or insulating matrix. Conduction and valence band-edge alignments between core and shell are described by finite height barriers. Influence of polarization charges induced at the surfaces where two adjacent materials meet is taken into account. Original expressions of electrostatic potential created everywhere in the space by a source point charge are derived. Expressions of self-polarization potential describing the interaction of a point charge with its own image-charge are deduced. Contributions of double dielectric constant mismatch to electron and hole ground state energies as well as nanostructure effective gap are calculated via first order perturbation theory and also by finite difference approach. Dependencies of electron, hole and gap energies against core to shell radii ratio are determined in the case of ZnS/CdSe core/shell nanostructure immersed in water or in toluene. It appears that finite difference approach is more efficient than first order perturbation method and that the effect of polarization charge may in no case be neglected as its contribution can reach a significant proportion of the value of nanostructure gap.

Adsorption of a single polymer chain on a surface: Effects of the potential range

NASA Astrophysics Data System (ADS)

Klushin, Leonid I.; Polotsky, Alexey A.; Hsu, Hsiao-Ping; Markelov, Denis A.; Binder, Kurt; Skvortsov, Alexander M.

2013-02-01

We investigate the effects of the range of adsorption potential on the equilibrium behavior of a single polymer chain end-attached to a solid surface. The exact analytical theory for ideal lattice chains interacting with a planar surface via a box potential of depth U and width W is presented and compared to continuum model results and to Monte Carlo (MC) simulations using the pruned-enriched Rosenbluth method for self-avoiding chains on a simple cubic lattice. We show that the critical value Uc corresponding to the adsorption transition scales as W-1/ν, where the exponent ν=1/2 for ideal chains and ν≈3/5 for self-avoiding walks. Lattice corrections for finite W are incorporated in the analytical prediction of the ideal chain theory Uc≈((π2)/(24))(W+1/2)-2 and in the best-fit equation for the MC simulation data Uc=0.585(W+1/2)-5/3. Tail, loop, and train distributions at the critical point are evaluated by MC simulations for 1≤W≤10 and compared to analytical results for ideal chains and with scaling theory predictions. The behavior of a self-avoiding chain is remarkably close to that of an ideal chain in several aspects. We demonstrate that the bound fraction θ and the related properties of finite ideal and self-avoiding chains can be presented in a universal reduced form: θ(N,U,W)=θ(NUc,U/Uc). By utilizing precise estimations of the critical points we investigate the chain length dependence of the ratio of the normal and lateral components of the gyration radius. Contrary to common expectations this ratio attains a limiting universal value /=0.320±0.003 only at N˜5000. Finite-N corrections for this ratio turn out to be of the opposite sign for W=1 and for W≥2. We also study the N dependence of the apparent crossover exponent ϕeff(N). Strong corrections to scaling of order N-0.5 are observed, and the extrapolated value ϕ=0.483±0.003 is found for all values of W. The strong correction to scaling effects found here explain why for smaller values of N, as used in most previous work, misleadingly large values of ϕeff(N) were identified as the asymptotic value for the crossover exponent.

Nuclear dipole polarizability from mean-field modeling constrained by chiral effective field theory

NASA Astrophysics Data System (ADS)

Zhang, Zhen; Lim, Yeunhwan; Holt, Jeremy W.; Ko, Che Ming

2018-02-01

We construct a new Skyrme interaction Skχm* by fitting the equation of state and nucleon effective masses in asymmetric nuclear matter from chiral two- and three-body forces as well as the binding energies of finite nuclei. Employing this interaction to study the electric dipole polarizabilities of 48Ca, 68Ni, 120Sn, and 208Pb in the random-phase approximation, we find that the theoretical predictions are in good agreement with experimentally measured values without additional fine tuning of the Skyrme interaction, thus confirming the usefulness of the new Skyrme interaction in studying the properties of nuclei. We further use this interaction to study the neutron skin thicknesses of 48Ca and 208Pb, and they are found to be consistent with the experimental data.

Electrostatic attraction of coupled Wigner crystals: finite temperature effects.

PubMed

Lau, A W; Pincus, P; Levine, D; Fertig, H A

2001-05-01

In this paper we present a unified physical picture for the electrostatic attraction between two coupled planar Wigner crystals at finite temperature. This model may facilitate our conceptual understanding of counterion-mediated attractions between (highly) similarly charged planes. By adopting an elastic theory, we show that the total attractive force between them can be (approximately) decomposed into a short-ranged and a long-ranged component. They are evaluated below the melting temperature of the Wigner crystals. In particular, we analyze the temperature dependence of the short-ranged attraction, arising from ground-state configuration, and we argue that thermal fluctuations may drastically reduce its strength. Also, the long-range force agrees exactly with that based on the charge-fluctuation approach. Furthermore, we take quantum contributions to the long-ranged (fluctuation-induced) attraction into account and show how the fractional power law, which scales as d(-7/2) for large interplanar distance d at zero temperature, crosses over to the classical regime d(-3) via an intermediate regime of d(-2).

A finite-element-based perturbation model for the rotordynamic analysis of shrouded pump impellers: Part 2: User's guide

NASA Technical Reports Server (NTRS)

Baskharone, Erian A.

1993-01-01

This report describes the computational steps involved in executing a finite-element-based perturbation model for computing the rotor dynamic coefficients of a shrouded pump impeller or a simple seal. These arise from the fluid/rotor interaction in the clearance gap. In addition to the sample cases, the computational procedure also applies to a separate category of problems referred to as the 'seal-like' category. The problem, in this case, concerns a shrouded impeller, with the exception that the secondary, or leakage, passage is totally isolated from the primary-flow passage. The difference between this and the pump problem is that the former is analytically of the simple 'seal-like' configuration, with two (inlet and exit) flow-permeable stations, while the latter constitutes a double-entry / double-discharge flow problem. In all cases, the problem is that of a rotor clearance gap. The problem here is that of a rotor excitation in the form of a cylindrical whirl around the housing centerline for a smooth annular seal. In its centered operation mode, the rotor is assumed to give rise to an axisymmetric flow field in the clearance gap. As a result, problems involving longitudinal or helical grooves, in the rotor or housing surfaces, go beyond the code capabilities. Discarding, for the moment, the pre- and post-processing phases, the bulk of the computational procedure consists of two main steps. The first is aimed at producing the axisymmetric 'zeroth-order' flow solution in the given flow domain. Detailed description of this problem, including the flow-governing equations, turbulence closure, boundary conditions, and the finite-element formulation, was covered by Baskharone and Hensel. The second main step is where the perturbation model is implemented, with the input being the centered-rotor 'zeroth-order' flow solution and a prescribed whirl frequency ratio (whirl frequency divided by the impeller speed). The computational domain, in the latter case, is treated as three dimensional, with the number of computational planes in the circumferential direction being specified a priori. The reader is reminded that the deformations in the finite elements are all infinitesimally small because the rotor eccentricity itself is a virtual displacement. This explains why we have generically termed the perturbation model the 'virtually' deformable finite-element category. The primary outcome of implementing the perturbation model is the tangential and radial components, F(sub theta)(sup *) and F(sub r)(sup *) of the fluid-exerted force on the rotor surface due to the whirling motion. Repetitive execution of the perturbation model subprogram over a sufficient range of whirl frequency ratios, and subsequent interpolation of these fluid forces, using the least-square method, finally enable the user to compute the impeller rotor dynamic coefficients of the fluid/rotor interaction. These are the direct and cross-coupled stiffness, damping, and inertia effects of the fluid/rotor interaction.

Finite element analysis of two disk rotor system

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

Dixit, Harsh Kumar

A finite element model of simple horizontal rotor system is developed for evaluating its dynamic behaviour. The model is based on Timoshenko beam element and accounts for the effect of gyroscopic couple and other rotational forces. Present rotor system consists of single shaft which is supported by bearings at both ends and two disks are mounted at different locations. The natural frequencies, mode shapes and orbits of rotating system for a specific range of rotation speed are obtained by developing a MATLAB code for solving the finite element equations of rotary system. Consequently, Campbell diagram is plotted for finding amore » relationship between natural whirl frequencies and rotation of the rotor.« less

Coupled structural, thermal, phase-change and electromagnetic analysis for superconductors, volume 1

NASA Technical Reports Server (NTRS)

Felippa, Carlos A.; Farhat, Charbel; Park, K. C.; Militello, Carmelo; Schuler, James J.

1993-01-01

This research program has dealt with the theoretical development and computer implementation of reliable and efficient methods for the analysis of coupled mechanical problems that involve the interaction of mechanical, thermal, phase-change and electromagnetic subproblems. The focus application has been the modeling of superconductivity and associated quantum-state phase-change phenomena. In support of this objective the work has addressed the following issues: (1) development of variational principles for finite elements; (2) finite element modeling of the electromagnetic problem; (3) coupling of thermal and mechanical effects; and (4) computer implementation and solution of the superconductivity transition problem. The research was carried out over the period September 1988 through March 1993. The main accomplishments have been: (1) the development of the theory of parametrized and gauged variational principles; (2) the application of those principled to the construction of electromagnetic, thermal and mechanical finite elements; and (3) the coupling of electromagnetic finite elements with thermal and superconducting effects; and (4) the first detailed finite element simulations of bulk superconductors, in particular the Meissner effect and the nature of the normal conducting boundary layer. The grant has fully supported the thesis work of one doctoral student (James Schuler, who started on January 1989 and completed on January 1993), and partly supported another thesis (Carmelo Militello, who started graduate work on January 1988 completing on August 1991). Twenty-three publications have acknowledged full or part support from this grant, with 16 having appeared in archival journals and 3 in edited books or proceedings.

Finite element meshing of ANSYS (trademark) solid models

NASA Technical Reports Server (NTRS)

Kelley, F. S.

1987-01-01

A large scale, general purpose finite element computer program, ANSYS, developed and marketed by Swanson Analysis Systems, Inc. is discussed. ANSYS was perhaps the first commercially available program to offer truly interactive finite element model generation. ANSYS's purpose is for solid modeling. This application is briefly discussed and illustrated.

Finite element analysis of time-independent superconductivity. Ph.D. Thesis Final Report

NASA Technical Reports Server (NTRS)

Schuler, James J.

1993-01-01

The development of electromagnetic (EM) finite elements based upon a generalized four-potential variational principle is presented. The use of the four-potential variational principle allows for downstream coupling of EM fields with the thermal, mechanical, and quantum effects exhibited by superconducting materials. The use of variational methods to model an EM system allows for a greater range of applications than just the superconducting problem. The four-potential variational principle can be used to solve a broader range of EM problems than any of the currently available formulations. It also reduces the number of independent variables from six to four while easily dealing with conductor/insulator interfaces. This methodology was applied to a range of EM field problems. Results from all these problems predict EM quantities exceptionally well and are consistent with the expected physical behavior.

Stress-intensity factors for small surface and corner cracks in plates

NASA Technical Reports Server (NTRS)

Raju, I. S.; Atluri, S. N.; Newman, J. C., Jr.

1988-01-01

Three-dimensional finite-element and finite-alternating methods were used to obtain the stress-intensity factors for small surface and corner cracked plates subjected to remote tension and bending loads. The crack-depth-to-crack-length ratios (a/c) ranged from 0.2 to 1 and the crack-depth-to-plate-thickness ratios (a/t) ranged from 0.05 to 0.2. The performance of the finite-element alternating method was studied on these crack configurations. A study of the computational effort involved in the finite-element alternating method showed that several crack configurations could be analyzed with a single rectangular mesh idealization, whereas the conventional finite-element method requires a different mesh for each configuration. The stress-intensity factors obtained with the finite-element-alternating method agreed well (within 5 percent) with those calculated from the finite-element method with singularity elements.

Neutron star mergers as a probe of modifications of general relativity with finite-range scalar forces

NASA Astrophysics Data System (ADS)

Sagunski, Laura; Zhang, Jun; Johnson, Matthew C.; Lehner, Luis; Sakellariadou, Mairi; Liebling, Steven L.; Palenzuela, Carlos; Neilsen, David

2018-03-01

Observations of gravitational radiation from compact binary systems provide an unprecedented opportunity to test general relativity in the strong field dynamical regime. In this paper, we investigate how future observations of gravitational radiation from binary neutron star mergers might provide constraints on finite-range forces from a universally coupled massive scalar field. Such scalar degrees of freedom (d.o.f.) are a characteristic feature of many extensions of general relativity. For concreteness, we work in the context of metric f (R ) gravity, which is equivalent to general relativity and a universally coupled scalar field with a nonlinear potential whose form is fixed by the choice of f (R ). In theories where neutron stars (or other compact objects) obtain a significant scalar charge, the resulting attractive finite-range scalar force has implications for both the inspiral and merger phases of binary systems. We first present an analysis of the inspiral dynamics in Newtonian limit, and forecast the constraints on the mass of the scalar and charge of the compact objects for the Advanced LIGO gravitational wave observatory. We then perform a comparative study of binary neutron star mergers in general relativity with those of a one-parameter model of f (R ) gravity using fully relativistic hydrodynamical simulations. These simulations elucidate the effects of the scalar on the merger and postmerger dynamics. We comment on the utility of the full waveform (inspiral, merger, postmerger) to probe different regions of parameter space for both the particular model of f (R ) gravity studied here and for finite-range scalar forces more generally.

Understanding the nanoscale local buckling behavior of vertically aligned MWCNT arrays with van der Waals interactions

NASA Astrophysics Data System (ADS)

Li, Yupeng; Kim, Hyung-Ick; Wei, Bingqing; Kang, Junmo; Choi, Jae-Boong; Nam, Jae-Do; Suhr, Jonghwan

2015-08-01

The local buckling behavior of vertically aligned carbon nanotubes (VACNTs) has been investigated and interpreted in the view of a collective nanotube response by taking van der Waals interactions into account. To the best of our knowledge, this is the first report on the case of collective VACNT behavior regarding van der Waals force among nanotubes as a lateral support effect during the buckling process. The local buckling propagation and development of VACNTs were experimentally observed and theoretically analyzed by employing finite element modeling with lateral support from van der Waals interactions among nanotubes. Both experimental and theoretical analyses show that VACNTs buckled in the bottom region with many short waves and almost identical wavelengths, indicating a high mode buckling. Furthermore, the propagation and development mechanism of buckling waves follow the wave damping effect.The local buckling behavior of vertically aligned carbon nanotubes (VACNTs) has been investigated and interpreted in the view of a collective nanotube response by taking van der Waals interactions into account. To the best of our knowledge, this is the first report on the case of collective VACNT behavior regarding van der Waals force among nanotubes as a lateral support effect during the buckling process. The local buckling propagation and development of VACNTs were experimentally observed and theoretically analyzed by employing finite element modeling with lateral support from van der Waals interactions among nanotubes. Both experimental and theoretical analyses show that VACNTs buckled in the bottom region with many short waves and almost identical wavelengths, indicating a high mode buckling. Furthermore, the propagation and development mechanism of buckling waves follow the wave damping effect. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr03581c

Purely hydrodynamic ordering of rotating disks at a finite Reynolds number.

PubMed

Goto, Yusuke; Tanaka, Hajime

2015-01-28

Self-organization of moving objects in hydrodynamic environments has recently attracted considerable attention in connection to natural phenomena and living systems. However, the underlying physical mechanism is much less clear due to the intrinsically nonequilibrium nature, compared with self-organization of thermal systems. Hydrodynamic interactions are believed to play a crucial role in such phenomena. To elucidate the fundamental physical nature of many-body hydrodynamic interactions at a finite Reynolds number, here we study a system of co-rotating hard disks in a two-dimensional viscous fluid at zero temperature. Despite the absence of thermal noise, this system exhibits rich phase behaviours, including a fluid state with diffusive dynamics, a cluster state, a hexatic state, a glassy state, a plastic crystal state and phase demixing. We reveal that these behaviours are induced by the off-axis and many-body nature of nonlinear hydrodynamic interactions and the finite time required for propagating the interactions by momentum diffusion.

A high-accuracy optical linear algebra processor for finite element applications

NASA Technical Reports Server (NTRS)

Casasent, D.; Taylor, B. K.

1984-01-01

Optical linear processors are computationally efficient computers for solving matrix-matrix and matrix-vector oriented problems. Optical system errors limit their dynamic range to 30-40 dB, which limits their accuray to 9-12 bits. Large problems, such as the finite element problem in structural mechanics (with tens or hundreds of thousands of variables) which can exploit the speed of optical processors, require the 32 bit accuracy obtainable from digital machines. To obtain this required 32 bit accuracy with an optical processor, the data can be digitally encoded, thereby reducing the dynamic range requirements of the optical system (i.e., decreasing the effect of optical errors on the data) while providing increased accuracy. This report describes a new digitally encoded optical linear algebra processor architecture for solving finite element and banded matrix-vector problems. A linear static plate bending case study is described which quantities the processor requirements. Multiplication by digital convolution is explained, and the digitally encoded optical processor architecture is advanced.

Mass Efficiency Considerations for Thermally Insulated Structural Skin of an Aerospace Vehicle

NASA Technical Reports Server (NTRS)

Blosser, Max L.

2012-01-01

An approximate equation was derived to predict the mass of insulation required to limit the maximum temperature reached by an insulated structure subjected to a transient heating pulse. In the course of the derivation two figures of merit were identified. One figure of merit correlates to the effectiveness of the heat capacity of the underlying structural material in reducing the amount of required insulation. The second figure of merit provides an indicator of the mass efficiency of the insulator material. An iterative, one dimensional finite element analysis was used to size the external insulation required to protect the structure at a single location on the Space Shuttle Orbiter and a reusable launch vehicle. Required insulation masses were calculated for a range of different materials for both structure and insulator. The required insulation masses calculated using the approximate equation were shown to typically agree with finite element results within 10 to 20 percent over the range of parameters studied. Finite element results closely followed the trends indicated by both figures of merit.

Viscous-inviscid interaction method including wake effects for three-dimensional wing-body configurations

NASA Technical Reports Server (NTRS)

Streett, C. L.

1981-01-01

A viscous-inviscid interaction method has been developed by using a three-dimensional integral boundary-layer method which produces results in good agreement with a finite-difference method in a fraction of the computer time. The integral method is stable and robust and incorporates a model for computation in a small region of streamwise separation. A locally two-dimensional wake model, accounting for thickness and curvature effects, is also included in the interaction procedure. Computation time spent in converging an interacted result is, many times, only slightly greater than that required to converge an inviscid calculation. Results are shown from the interaction method, run at experimental angle of attack, Reynolds number, and Mach number, on a wing-body test case for which viscous effects are large. Agreement with experiment is good; in particular, the present wake model improves prediction of the spanwise lift distribution and lower surface cove pressure.

Two-compartment passive frequency domain cochlea model allowing independent fluid coupling to the tectorial and basilar membranes

PubMed Central

Cormack, John; Liu, Yanju; Nam, Jong-Hoon; Gracewski, Sheryl M.

2015-01-01

The cochlea is a spiral-shaped, liquid-filled organ in the inner ear that converts sound with high frequency selectivity over a wide pressure range to neurological signals that are eventually interpreted by the brain. The cochlear partition, consisting of the organ of Corti supported below by the basilar membrane and attached above to the tectorial membrane, plays a major role in the frequency analysis. In early fluid-structure interaction models of the cochlea, the mechanics of the cochlear partition were approximated by a series of single-degree-of-freedom systems representing the distributed stiffness and mass of the basilar membrane. Recent experiments suggest that the mechanical properties of the tectorial membrane may also be important for the cochlea frequency response and that separate waves may propagate along the basilar and tectorial membranes. Therefore, a two-dimensional two-compartment finite difference model of the cochlea was developed to investigate the independent coupling of the basilar and tectorial membranes to the surrounding liquid. Responses are presented for models using two- or three-degree-of-freedom stiffness, damping, and mass parameters derived from a physiologically based finite element model of the cochlear partition. Effects of changes in membrane and organ of Corti stiffnesses on the individual membrane responses are investigated. PMID:25786927

Measured and calculated acoustic attenuation rates of tuned resonator arrays for two surface impedance distribution models with flow

NASA Technical Reports Server (NTRS)

Parrott, Tony L.; Abrahamson, A. Louis; Jones, Michael G.

1988-01-01

An experiment was performed to validate two analytical models for predicting low frequency attenuation of duct liner configurations built from an array of seven resonators that could be individually tuned via adjustable cavity depths. These analytical models had previously been developed for high frequency aero-engine inlet duct liner design. In the low frequency application, the liner surface impedance distribution is unavoidably spatially varying by virtue of available fabrication techniques. The characteristic length of this spatial variation may be a significant fraction of the acoustic wavelength. Comparison of measured and predicted attenuation rates and transmission losses for both modal decomposition and finite element propagation models were in good to excellent agreement for a test frequency range that included the first and second cavity resonance frequencies. This was true for either of two surface impedance distribution modeling procedures used to simplify the impedance boundary conditions. In the presence of mean flow, measurements revealed a fine scale structure of acoustic hot spots in the attenuation and phase profiles. These details were accurately predicted by the finite element model. Since no impedance changes due to mean flow were assumed, it is concluded that this fine scale structure was due to convective effects of the mean flow interacting with the surface impedance nonuniformities.

Inverse transonic airfoil design methods including boundary layer and viscous interaction effects

NASA Technical Reports Server (NTRS)

Carlson, L. A.

1979-01-01

The development and incorporation into TRANDES of a fully conservative analysis method utilizing the artificial compressibility approach is described. The method allows for lifting cases and finite thickness airfoils and utilizes a stretched coordinate system. Wave drag and massive separation studies are also discussed.

Prethermalization and persistent order in the absence of a thermal phase transition

NASA Astrophysics Data System (ADS)

Halimeh, Jad C.; Zauner-Stauber, Valentin; McCulloch, Ian P.; de Vega, Inés; Schollwöck, Ulrich; Kastner, Michael

2017-01-01

We numerically study the dynamics after a parameter quench in the one-dimensional transverse-field Ising model with long-range interactions (∝1 /rα with distance r ), for finite chains and also directly in the thermodynamic limit. In nonequilibrium, i.e., before the system settles into a thermal state, we find a long-lived regime that is characterized by a prethermal value of the magnetization, which in general differs from its thermal value. We find that the ferromagnetic phase is stabilized dynamically: as a function of the quench parameter, the prethermal magnetization shows a transition between a symmetry-broken and a symmetric phase, even for those values of α for which no finite-temperature transition occurs in equilibrium. The dynamical critical point is shifted with respect to the equilibrium one, and the shift is found to depend on α as well as on the quench parameters.

Analytical and experimental investigation of rubbing interaction in labyrinth seals for a liquid hydrogen fuel pump. [space shuttle main engine

NASA Technical Reports Server (NTRS)

Dolan, F. X.; Kennedy, F. E.; Schulson, E. M.

1984-01-01

Cracking of the titanium knife edges on the labyrinth seals of the liquid hydrogen fuel pump in the Space Shuttle main engine is considered. Finite element analysis of the thermal response of the knife edge in sliding contact with the wear ring surface shows that interfacial temperatures can be quite high and they are significantly influenced by the thermal conductivity of the surfaces in rubbing contact. Thermal shock experiments on a test specimen similar to the knife edge geometry demonstrate that cracking of the titanium alloy is possible in a situation involving repeated thermal cycles over a wide temperature range, as might be realized during a rub in the liquid hydrogen fuel pump. High-speed rub interaction tests were conducted using a representative knife edge and seal geometry over a broad range of interaction rates and alternate materials were experimentally evaluated. Plasma-sprayed aluminum-graphite was found to be significantly better than presently used aluminum alloy seals from the standpoint of rub performance. Ion nitriding the titanium alloy knife-edges also improved rub performance compared to the untreated baseline.

An Interactive Preprocessor Program with Graphics for a Three-Dimensional Finite Element Code.

ERIC Educational Resources Information Center

Hamilton, Claude Hayden, III

The development and capabilities of an interactive preprocessor program with graphics for an existing three-dimensional finite element code is presented. This preprocessor program, EDGAP3D, is designed to be used in conjunction with the Texas Three Dimensional Grain Analysis Program (TXCAP3D). The code presented in this research is capable of the…

Fracture Capabilities in Grizzly with the extended Finite Element Method (X-FEM)

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

Dolbow, John; Zhang, Ziyu; Spencer, Benjamin

Efforts are underway to develop fracture mechanics capabilities in the Grizzly code to enable it to be used to perform deterministic fracture assessments of degraded reactor pressure vessels (RPVs). A capability was previously developed to calculate three-dimensional interaction- integrals to extract mixed-mode stress-intensity factors. This capability requires the use of a finite element mesh that conforms to the crack geometry. The eXtended Finite Element Method (X-FEM) provides a means to represent a crack geometry without explicitly fitting the finite element mesh to it. This is effected by enhancing the element kinematics to represent jump discontinuities at arbitrary locations inside ofmore » the element, as well as the incorporation of asymptotic near-tip fields to better capture crack singularities. In this work, use of only the discontinuous enrichment functions was examined to see how accurate stress intensity factors could still be calculated. This report documents the following work to enhance Grizzly’s engineering fracture capabilities by introducing arbitrary jump discontinuities for prescribed crack geometries; X-FEM Mesh Cutting in 3D: to enhance the kinematics of elements that are intersected by arbitrary crack geometries, a mesh cutting algorithm was implemented in Grizzly. The algorithm introduces new virtual nodes and creates partial elements, and then creates a new mesh connectivity; Interaction Integral Modifications: the existing code for evaluating the interaction integral in Grizzly was based on the assumption of a mesh that was fitted to the crack geometry. Modifications were made to allow for the possibility of a crack front that passes arbitrarily through the mesh; and Benchmarking for 3D Fracture: the new capabilities were benchmarked against mixed-mode three-dimensional fracture problems with known analytical solutions.« less

Many-body effects and ultraviolet renormalization in three-dimensional Dirac materials

NASA Astrophysics Data System (ADS)

Throckmorton, Robert E.; Hofmann, Johannes; Barnes, Edwin; Das Sarma, S.

2015-09-01

We develop a theory for electron-electron interaction-induced many-body effects in three-dimensional Weyl or Dirac semimetals, including interaction corrections to the polarizability, electron self-energy, and vertex function, up to second order in the effective fine-structure constant of the Dirac material. These results are used to derive the higher-order ultraviolet renormalization of the Fermi velocity, effective coupling, and quasiparticle residue, revealing that the corrections to the renormalization group flows of both the velocity and coupling counteract the leading-order tendencies of velocity enhancement and coupling suppression at low energies. This in turn leads to the emergence of a critical coupling above which the interaction strength grows with decreasing energy scale. In addition, we identify a range of coupling strengths below the critical point in which the Fermi velocity varies nonmonotonically as the low-energy, noninteracting fixed point is approached. Furthermore, we find that while the higher-order correction to the flow of the coupling is generally small compared to the leading order, the corresponding correction to the velocity flow carries an additional factor of the Dirac cone flavor number (the multiplicity of electron species, e.g. ground-state valley degeneracy arising from the band structure) relative to the leading-order result. Thus, for materials with a larger multiplicity, the regime of velocity nonmonotonicity is reached for modest values of the coupling strength. This is in stark contrast to an approach based on a large-N expansion or the random phase approximation (RPA), where higher-order corrections are strongly suppressed for larger values of the Dirac cone multiplicity. This suggests that perturbation theory in the coupling constant (i.e., the loop expansion) and the RPA/large-N expansion are complementary in the sense that they are applicable in different parameter regimes of the theory. We show how our results for the ultraviolet renormalization of quasiparticle properties can be tested experimentally through measurements of quantities such as the optical conductivity or dielectric function (with carrier density or temperature acting as the scale being varied to induce the running coupling). Although experiments typically access the finite-density regime, we show that our zero-density results still capture clear many-body signatures that should be visible at higher temperatures even in real systems with disorder and finite doping.

Surface and finite size effect on fluctuations dynamics in nanoparticles with long-range order

NASA Astrophysics Data System (ADS)

Morozovska, A. N.; Eliseev, E. A.

2010-02-01

The influence of surface and finite size on the dynamics of the order parameter fluctuations and critical phenomena in the three-dimensional (3D)-confined systems with long-range order was not considered theoretically. In this paper, we study the influence of surface and finite size on the dynamics of the order parameter fluctuations in the particles of arbitrary shape. We consider concrete examples of the spherical and cylindrical ferroic nanoparticles within Landau-Ginzburg-Devonshire phenomenological approach. Allowing for the strong surface energy contribution in micro and nanoparticles, the analytical expressions derived for the Ornstein-Zernike correlator of the long-range order parameter spatial-temporal fluctuations, dynamic generalized susceptibility, relaxation times, and correlation radii discrete spectra are different from those known for bulk systems. Obtained analytical expressions for the correlation function of the order parameter spatial-temporal fluctuations in micro and nanosized systems can be useful for the quantitative analysis of the dynamical structural factors determined from magnetic resonance diffraction and scattering spectra. Besides the practical importance of the correlation function for the analysis of the experimental data, derived expressions for the fluctuations strength determine the fundamental limits of phenomenological theories applicability for 3D-confined systems.

Harnessing the Bethe free energy†

PubMed Central

Bapst, Victor

2016-01-01

ABSTRACT A wide class of problems in combinatorics, computer science and physics can be described along the following lines. There are a large number of variables ranging over a finite domain that interact through constraints that each bind a few variables and either encourage or discourage certain value combinations. Examples include the k‐SAT problem or the Ising model. Such models naturally induce a Gibbs measure on the set of assignments, which is characterised by its partition function. The present paper deals with the partition function of problems where the interactions between variables and constraints are induced by a sparse random (hyper)graph. According to physics predictions, a generic recipe called the “replica symmetric cavity method” yields the correct value of the partition function if the underlying model enjoys certain properties [Krzkala et al., PNAS (2007) 10318–10323]. Guided by this conjecture, we prove general sufficient conditions for the success of the cavity method. The proofs are based on a “regularity lemma” for probability measures on sets of the form Ωn for a finite Ω and a large n that may be of independent interest. © 2016 Wiley Periodicals, Inc. Random Struct. Alg., 49, 694–741, 2016 PMID:28035178

Possible Many-Body Localization in a Long-Lived Finite-Temperature Ultracold Quasineutral Molecular Plasma

NASA Astrophysics Data System (ADS)

Sous, John; Grant, Edward

2018-03-01

We argue that the quenched ultracold plasma presents an experimental platform for studying the quantum many-body physics of disordered systems in the long-time and finite energy-density limits. We consider an experiment that quenches a plasma of nitric oxide to an ultracold system of Rydberg molecules, ions, and electrons that exhibits a long-lived state of arrested relaxation. The qualitative features of this state fail to conform with classical models. Here, we develop a microscopic quantum description for the arrested phase based on an effective many-body spin Hamiltonian that includes both dipole-dipole and van der Waals interactions. This effective model appears to offer a way to envision the essential quantum disordered nonequilibrium physics of this system.

Magnetic Chern bands and triplon Hall effect in an extended Shastry-Sutherland model

NASA Astrophysics Data System (ADS)

Malki, M.; Schmidt, K. P.

2017-05-01

We study topological properties of one-triplon bands in an extended Shastry-Sutherland model relevant for the frustrated quantum magnet SrCu2(BO3)2 . To this end perturbative continuous unitary transformations are applied about the isolated dimer limit allowing us to calculate the one-triplon dispersion up to high order in various couplings including intra- and interdimer Dzyaloshinskii-Moriya interactions and a general uniform magnetic field. We determine the Berry curvature and the Chern number of the different one-triplon bands. We demonstrate the occurrence of Chern numbers ±1 and ±2 for the case that two components of the magnetic field are finite. Finally, we also calculate the triplon Hall effect arising at finite temperatures.

Effects of the U boson on the inner edge of neutron star crusts

NASA Astrophysics Data System (ADS)

Zheng, Hao; Chen, Lie-Wen

2012-02-01

We explore effects of the light vector U boson, which is weakly coupled to nucleons, on the transition density ρt and pressure Pt at the inner edge separating the liquid core from the solid crust of neutron stars. Three methods, i.e., the thermodynamical approach, the curvature matrix approach, and the Vlasov equation approach, are used to determine the transition density ρt with the Skyrme effective nucleon-nucleon interactions. We find that the ρt and Pt depend on not only the ratio of coupling strength to mass squared of the U boson g2/μ2 but also its mass μ due to the finite-range interaction from the U-boson exchange. In particular, our results indicate that the ρt and Pt are sensitive to both g2/μ2 and μ if the U-boson mass μ is larger than about 2 MeV. Furthermore, we show that both g2/μ2 and μ can have significant influence on the mass-radius relation and the crustal fraction of total moment of inertia of neutron stars. In addition, we study the exchange term contribution of the U boson based on the density matrix expansion method, and demonstrate that the exchange term effects on the nuclear matter equation of state as well as the ρt and Pt are generally negligible.

Analysis of random structure-acoustic interaction problems using coupled boundary element and finite element methods

NASA Technical Reports Server (NTRS)

Mei, Chuh; Pates, Carl S., III

1994-01-01

A coupled boundary element (BEM)-finite element (FEM) approach is presented to accurately model structure-acoustic interaction systems. The boundary element method is first applied to interior, two and three-dimensional acoustic domains with complex geometry configurations. Boundary element results are very accurate when compared with limited exact solutions. Structure-interaction problems are then analyzed with the coupled FEM-BEM method, where the finite element method models the structure and the boundary element method models the interior acoustic domain. The coupled analysis is compared with exact and experimental results for a simplistic model. Composite panels are analyzed and compared with isotropic results. The coupled method is then extended for random excitation. Random excitation results are compared with uncoupled results for isotropic and composite panels.

The Cassie-Wenzel transition of fluids on nanostructured substrates: Macroscopic force balance versus microscopic density-functional theory.

PubMed

Tretyakov, Nikita; Papadopoulos, Periklis; Vollmer, Doris; Butt, Hans-Jürgen; Dünweg, Burkhard; Daoulas, Kostas Ch

2016-10-07

Classical density functional theory is applied to investigate the validity of a phenomenological force-balance description of the stability of the Cassie state of liquids on substrates with nanoscale corrugation. A bulk free-energy functional of third order in local density is combined with a square-gradient term, describing the liquid-vapor interface. The bulk free energy is parameterized to reproduce the liquid density and the compressibility of water. The square-gradient term is adjusted to model the width of the water-vapor interface. The substrate is modeled by an external potential, based upon the Lennard-Jones interactions. The three-dimensional calculation focuses on substrates patterned with nanostripes and square-shaped nanopillars. Using both the force-balance relation and density-functional theory, we locate the Cassie-to-Wenzel transition as a function of the corrugation parameters. We demonstrate that the force-balance relation gives a qualitatively reasonable description of the transition even on the nanoscale. The force balance utilizes an effective contact angle between the fluid and the vertical wall of the corrugation to parameterize the impalement pressure. This effective angle is found to have values smaller than the Young contact angle. This observation corresponds to an impalement pressure that is smaller than the value predicted by macroscopic theory. Therefore, this effective angle embodies effects specific to nanoscopically corrugated surfaces, including the finite range of the liquid-solid potential (which has both repulsive and attractive parts), line tension, and the finite interface thickness. Consistently with this picture, both patterns (stripes and pillars) yield the same effective contact angles for large periods of corrugation.

Investigation of deformation of elements of three-dimensional reinforced concrete structures located in the soil, interacting with each other through rubber gaskets

NASA Astrophysics Data System (ADS)

Berezhnoi, D. V.; Balafendieva, I. S.; Sachenkov, A. A.; Sekaeva, L. R.

2017-06-01

In work the technique of calculation of elements of three-dimensional reinforced concrete substructures located in a soil, interacting with each other through rubber linings is realized. To describe the interaction of deformable structures with the ground, special “semi-infinite” finite elements are used. A technique has been implemented that allows one to describe the contact interaction of three-dimensional structures by means of a special contact finite element with specific properties. The obtained numerical results are compared with the experimental data, their good agreement is noted.

Kinetic description of finite-wall catalysis for monatomic molecular recombination

NASA Astrophysics Data System (ADS)

Yano, Ryosuke; Suzuki, Kojiro

2011-11-01

In our previous study on hypothetical diatomic molecular dissociation and monatomic molecular recombination, A2 + M ↔ A + A + M [Yano et al., Phys. Fluids 21, 127101 (2009)], the interaction between the wall and A2* intermediates was not formulated. In this paper, we consider the effect of finite-wall catalysis on recombination of a monatomic molecule A via the interaction between the wall and A2*. According to the proposed Boltzmann model equation, the catalytic recombination rate depends on two quantities; the vibrational temperature and the translational temperature of A2* intermediates that are emitted from the wall. In particular, the translational temperature of A2* is related to its lifetime. In this paper, we investigate the change in the catalytic recombination rate of A upon changing the vibrational temperature of A2* intermediates that are emitted from the wall. As an object of analysis, the rarefied hypersonic flow around a cylinder with a finite wall-catalysis is considered using the proposed Boltzmann model equation. Numerical results confirm that a decrease in the vibrational temperature of A2* intermediates that are emitted from the wall results in an increase in recombination of A near the wall.

STARS: A general-purpose finite element computer program for analysis of engineering structures

NASA Technical Reports Server (NTRS)

Gupta, K. K.

1984-01-01

STARS (Structural Analysis Routines) is primarily an interactive, graphics-oriented, finite-element computer program for analyzing the static, stability, free vibration, and dynamic responses of damped and undamped structures, including rotating systems. The element library consists of one-dimensional (1-D) line elements, two-dimensional (2-D) triangular and quadrilateral shell elements, and three-dimensional (3-D) tetrahedral and hexahedral solid elements. These elements enable the solution of structural problems that include truss, beam, space frame, plane, plate, shell, and solid structures, or any combination thereof. Zero, finite, and interdependent deflection boundary conditions can be implemented by the program. The associated dynamic response analysis capability provides for initial deformation and velocity inputs, whereas the transient excitation may be either forces or accelerations. An effective in-core or out-of-core solution strategy is automatically employed by the program, depending on the size of the problem. Data input may be at random within a data set, and the program offers certain automatic data-generation features. Input data are formatted as an optimal combination of free and fixed formats. Interactive graphics capabilities enable convenient display of nodal deformations, mode shapes, and element stresses.

SU(2) lattice gluon propagator: Continuum limit, finite-volume effects, and infrared mass scale m{sub IR}

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

Bornyakov, V. G.; Mitrjushkin, V. K.; Mueller-Preussker, M.

2010-03-01

We study the scaling behavior and finite (physical) volume effects as well as the Gribov copy dependence of the SU(2) Landau gauge gluon propagator on the lattice. Our physical lattice sizes range from (3.0 fm){sup 4} to (7.3 fm){sup 4}. Considering lattices with decreasing lattice spacing but fixed physical volume we confirm (nonperturbative) multiplicative renormalizability and the approach to the continuum limit for the renormalized gluon propagator D{sub ren}(p) at momenta |p| > or approx. 0.6 GeV. The finite-volume effects and Gribov copy influence turn out small in this region. On the contrary, in the deeper infrared we found themore » Gribov copy influence strong and finite-volume effects, which still require special attention. The gluon propagator does not seem to be consistent with a simple polelike behavior {approx}(p{sup 2}+m{sub g}{sup 2}){sup -1} for momenta |p| < or approx. 0.6 GeV. Instead, a Gaussian-type fit works very well in this region. From its width - for a physical volume (5.0 fm){sup 4} - we estimate a corresponding infrared (mass) scale to be m{sub IR{approx}}0.7 GeV.« less

Modelling cavitation erosion using fluid–material interaction simulations

PubMed Central

Chahine, Georges L.; Hsiao, Chao-Tsung

2015-01-01

Material deformation and pitting from cavitation bubble collapse is investigated using fluid and material dynamics and their interaction. In the fluid, a novel hybrid approach, which links a boundary element method and a compressible finite difference method, is used to capture non-spherical bubble dynamics and resulting liquid pressures efficiently and accurately. The bubble dynamics is intimately coupled with a finite-element structure model to enable fluid/structure interaction simulations. Bubble collapse loads the material with high impulsive pressures, which result from shock waves and bubble re-entrant jet direct impact on the material surface. The shock wave loading can be from the re-entrant jet impact on the opposite side of the bubble, the fast primary collapse of the bubble, and/or the collapse of the remaining bubble ring. This produces high stress waves, which propagate inside the material, cause deformation, and eventually failure. A permanent deformation or pit is formed when the local equivalent stresses exceed the material yield stress. The pressure loading depends on bubble dynamics parameters such as the size of the bubble at its maximum volume, the bubble standoff distance from the material wall and the pressure driving the bubble collapse. The effects of standoff and material type on the pressure loading and resulting pit formation are highlighted and the effects of bubble interaction on pressure loading and material deformation are preliminarily discussed. PMID:26442140

Solder creep-fatigue interactions with flexible leaded parts

NASA Technical Reports Server (NTRS)

Ross, R. G., Jr.; Wen, L. C.; Mon, G. R.; Jetter, E.

1992-01-01

With flexible leaded parts, the solder-joint failure process involves a complex interplay of creep and fatigue mechanisms. To better understand the role of creep in typical multi-hour cyclic loading conditions, a specialized non-linear finite-element creep simulation computer program has been formulated. The numerical algorithm includes the complete part-lead-solder-PWB system, accounting for strain-rate dependence of creep on applied stress and temperature, and the role of the part-lead dimensions and flexibility that determine the total creep deflection (solder strain range) during stress relaxation. The computer program has been used to explore the effects of various solder creep-fatigue parameters such as lead height and stiffness, thermal-cycle test profile, and part/board differential thermal expansion properties. One of the most interesting findings is the strong presence of unidirectional creep-ratcheting that occurs during thermal cycling due to temperature dominated strain-rate effects. To corroborate the solder fatigue model predictions, a number of carefully controlled thermal-cycle tests have been conducted using special bimetallic test boards.

Theoretical Studies of Relaxation and Optical Properties of Polymers

NASA Astrophysics Data System (ADS)

Jin, Bih-Yaw

1993-01-01

This thesis is composed of two parts. In the part one, the empirical correlation between the logarithm of tunneling splittings and the temperature at which the spin-lattice relaxation time is minimum for methyl groups in different molecular crystals is explained successfully by taking multiphonon processes into account. We show that one phonon transitions dominate in the low barrier limit. However, in the intermediate barrier range and high barrier limit, it is necessary to include multiphonon processes. We also show that the empirical correlation depends only logarithmically on the details of the phonon bath. In the part two, we have investigated the optical and relaxation properties of conjugated polymers. The connection between the vibronic picture of Raman scattering and the third order perturbation approach in solid state physics is clarified in chapter 2. Starting from the Kramers -Heissenberg-Dirac formula for Raman scattering, we derive expressions for the Condon and Herzberg-Teller terms from a simple two-level system to a two-band system, i.e. polyacetylene, by using traditional vibronic picture. Both the Condon and Herzberg-Teller terms contribute to two-band processes, while three-band processes consist only of Herzberg-Teller terms in the solid state limit. Close to resonance the Condon term dominates and converges to the usual solid state result. In the off-resonance region the Herzberg -Teller term is comparable to Condon term for both small molecule and solid state system. In chapter 3, we will concentrate on the lattice relaxation of the lowest optically allowed 1B_ {u} state, especially, the effect of electron correlation on the excited state geometric relaxation for finite polyenes. We have examined the competition between electron-electron interaction and electron-phonon coupling on the formation of localized lattice distortion in the 1B_{u} state for finite polyene with chain length up to 30 double bonds. The chain length dependence of the lattice relaxation in 1B _{u} state has been studied thoroughly within singly excited configuration interaction for short range Hubbard, extended Hubbard model and long-range Pariser -Parr-Pople model. We have found that local distortion is not favored until a critical chain length is reached. Beyond this critical length, which is a function of electron-electron interaction and electron-phonon coupling strength, a self -trapped exciton is formed rather than the separated soliton -antisoliton configuration as expected in the independent electron theory. (Copies available exclusively from MIT Libraries, Rm. 14-0551, Cambridge, MA 02139-4307. Ph. 617 -253-5668; Fax 617-253-1690.).

Free energy determinants of secondary structure formation: III. beta-turns and their role in protein folding.

PubMed

Yang, A S; Hitz, B; Honig, B

1996-06-21

The stability of beta-turns is calculated as a function of sequence and turn type with a Monte Carlo sampling technique. The conformational energy of four internal hydrogen-bonded turn types, I, I', II and II', is obtained by evaluating their gas phase energy with the CHARMM force field and accounting for solvation effects with the Finite Difference Poisson-Boltzmann (FDPB) method. All four turn types are found to be less stable than the coil state, independent of the sequence in the turn. The free-energy penalties associated with turn formation vary between 1.6 kcal/mol and 7.7 kcal/mol, depending on the sequence and turn type. Differences in turn stability arise mainly from intraresidue interactions within the two central residues of the turn. For each combination of the two central residues, except for -Gly-Gly-, the most stable beta-turn type is always found to occur most commonly in native proteins. The fact that a model based on local interactions accounts for the observed preference of specific sequences suggests that long-range tertiary interactions tend to play a secondary role in determining turn conformation. In contrast, for beta-hairpins, long-range interactions appear to dominate. Specifically, due to the right-handed twist of beta-strands, type I' turns for -Gly-Gly- are found to occur with high frequency, even when local energetics would dictate otherwise. The fact that any combination of two residues is found able to adopt a relatively low-energy turn structure explains why the amino acid sequence in turns is highly variable. The calculated free-energy cost of turn formation, when combined with related numbers obtained for alpha-helices and beta-sheets, suggests a model for the initiation of protein folding based on metastable fragments of secondary structure.

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

NASA Astrophysics Data System (ADS)

Li, Zhidan; Han, Qiang

2018-04-01

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

Detonator Performance Characterization using Multi-Frame Laser Schlieren Imaging

NASA Astrophysics Data System (ADS)

Clarke, Steven; Landon, Colin; Murphy, Michael; Martinez, Michael; Mason, Thomas; Thomas, Keith

2009-06-01

Multi-frame Laser Schlieren Imaging of shock waves produced by detonators in transparent witness materials can be used to evaluate detonator performance. We use inverse calculations of the 2D propagation of shock waves in the EPIC finite element model computer code to calculate a temporal-spatial-pressure profile on the surface of the detonator that is consistent with the experimental shock waves from the schlieren imaging. Examples of calculated 2D temporal-spatial-pressure profiles from a range of detonator types (EFI --exploding foil initiators, DOI -- direct optical initiation, EBW -- exploding bridge wire, hotwire), detonator HE materials (PETN, HMX, etc), and HE densities. Also pressure interaction profiles from the interaction of multiple shock waves will be shown. LA-UR-09-00909.

An efficient approach to the analysis of rail surface irregularities accounting for dynamic train-track interaction and inelastic deformations

NASA Astrophysics Data System (ADS)

Andersson, Robin; Torstensson, Peter T.; Kabo, Elena; Larsson, Fredrik

2015-11-01

A two-dimensional computational model for assessment of rolling contact fatigue induced by discrete rail surface irregularities, especially in the context of so-called squats, is presented. Dynamic excitation in a wide frequency range is considered in computationally efficient time-domain simulations of high-frequency dynamic vehicle-track interaction accounting for transient non-Hertzian wheel-rail contact. Results from dynamic simulations are mapped onto a finite element model to resolve the cyclic, elastoplastic stress response in the rail. Ratcheting under multiple wheel passages is quantified. In addition, low cycle fatigue impact is quantified using the Jiang-Sehitoglu fatigue parameter. The functionality of the model is demonstrated by numerical examples.

General formulation of long-range degree correlations in complex networks

NASA Astrophysics Data System (ADS)

Fujiki, Yuka; Takaguchi, Taro; Yakubo, Kousuke

2018-06-01

We provide a general framework for analyzing degree correlations between nodes separated by more than one step (i.e., beyond nearest neighbors) in complex networks. One joint and four conditional probability distributions are introduced to fully describe long-range degree correlations with respect to degrees k and k' of two nodes and shortest path length l between them. We present general relations among these probability distributions and clarify the relevance to nearest-neighbor degree correlations. Unlike nearest-neighbor correlations, some of these probability distributions are meaningful only in finite-size networks. Furthermore, as a baseline to determine the existence of intrinsic long-range degree correlations in a network other than inevitable correlations caused by the finite-size effect, the functional forms of these probability distributions for random networks are analytically evaluated within a mean-field approximation. The utility of our argument is demonstrated by applying it to real-world networks.

On numerically accurate finite element

NASA Technical Reports Server (NTRS)

Nagtegaal, J. C.; Parks, D. M.; Rice, J. R.

1974-01-01

A general criterion for testing a mesh with topologically similar repeat units is given, and the analysis shows that only a few conventional element types and arrangements are, or can be made suitable for computations in the fully plastic range. Further, a new variational principle, which can easily and simply be incorporated into an existing finite element program, is presented. This allows accurate computations to be made even for element designs that would not normally be suitable. Numerical results are given for three plane strain problems, namely pure bending of a beam, a thick-walled tube under pressure, and a deep double edge cracked tensile specimen. The effects of various element designs and of the new variational procedure are illustrated. Elastic-plastic computation at finite strain are discussed.

Entanglement entropy in a one-dimensional disordered interacting system: the role of localization.

PubMed

Berkovits, Richard

2012-04-27

The properties of the entanglement entropy (EE) in one-dimensional disordered interacting systems are studied. Anderson localization leaves a clear signature on the average EE, as it saturates on the length scale exceeding the localization length. This is verified by numerically calculating the EE for an ensemble of disordered realizations using the density matrix renormalization group method. A heuristic expression describing the dependence of the EE on the localization length, which takes into account finite-size effects, is proposed. This is used to extract the localization length as a function of the interaction strength. The localization length dependence on the interaction fits nicely with the expectations.

Shock wave-free interface interaction

NASA Astrophysics Data System (ADS)

Frolov, Roman; Minev, Peter; Krechetnikov, Rouslan

2016-11-01

The problem of shock wave-free interface interaction has been widely studied in the context of compressible two-fluid flows using analytical, experimental, and numerical techniques. While various physical effects and possible interaction patterns for various geometries have been identified in the literature, the effects of viscosity and surface tension are usually neglected in such models. In our study, we apply a novel numerical algorithm for simulation of viscous compressible two-fluid flows with surface tension to investigate the influence of these effects on the shock-interface interaction. The method combines together the ideas from Finite Volume adaptation of invariant domains preserving algorithm for systems of hyperbolic conservation laws by Guermond and Popov and ADI parallel solver for viscous incompressible NSEs by Guermond and Minev. This combination has been further extended to a two-fluid flow case, including surface tension effects. Here we report on a quantitative study of how surface tension and viscosity affect the structure of the shock wave-free interface interaction region.

Evaluation of tranche in securitization and long-range Ising model

NASA Astrophysics Data System (ADS)

Kitsukawa, K.; Mori, S.; Hisakado, M.

2006-08-01

This econophysics work studies the long-range Ising model of a finite system with N spins and the exchange interaction J/N and the external field H as a model for homogeneous credit portfolio of assets with default probability Pd and default correlation ρd. Based on the discussion on the (J,H) phase diagram, we develop a perturbative calculation method for the model and obtain explicit expressions for Pd,ρd and the normalization factor Z in terms of the model parameters N and J,H. The effect of the default correlation ρd on the probabilities P(Nd,ρd) for Nd defaults and on the cumulative distribution function D(i,ρd) are discussed. The latter means the average loss rate of the“tranche” (layered structure) of the securities (e.g. CDO), which are synthesized from a pool of many assets. We show that the expected loss rate of the subordinated tranche decreases with ρd and that of the senior tranche increases linearly, which are important in their pricing and ratings.

FIRST-ORDER COSMOLOGICAL PERTURBATIONS ENGENDERED BY POINT-LIKE MASSES

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

Eingorn, Maxim, E-mail: maxim.eingorn@gmail.com

2016-07-10

In the framework of the concordance cosmological model, the first-order scalar and vector perturbations of the homogeneous background are derived in the weak gravitational field limit without any supplementary approximations. The sources of these perturbations (inhomogeneities) are presented in the discrete form of a system of separate point-like gravitating masses. The expressions found for the metric corrections are valid at all (sub-horizon and super-horizon) scales and converge at all points except at the locations of the sources. The average values of these metric corrections are zero (thus, first-order backreaction effects are absent). Both the Minkowski background limit and the Newtonianmore » cosmological approximation are reached under certain well-defined conditions. An important feature of the velocity-independent part of the scalar perturbation is revealed: up to an additive constant, this part represents a sum of Yukawa potentials produced by inhomogeneities with the same finite time-dependent Yukawa interaction range. The suggested connection between this range and the homogeneity scale is briefly discussed along with other possible physical implications.« less

Effect of Tabor parameter on hysteresis losses during adhesive contact

NASA Astrophysics Data System (ADS)

Ciavarella, M.; Greenwood, J. A.; Barber, J. R.

2017-01-01

The Tabor parameter μ is conventionally assumed to determine the range of applicability of the classical 'JKR' solution for adhesive elastic contact of a sphere and a plane, with the variation of the contact area and approach with load, and in particular the maximum tensile force (the pull-off force) being well predicted for μ > 5 . Here we show that the hysteretic energy loss during a contact separation cycle is significantly overestimated by the JKR theory, even at quite large values of μ. This stems from the absence of long-range tensile forces in the JKR theory, which implies that jump into contact is delayed until the separation α = 0 . We develop an approximate solution based on the use of Wu's solution with van der Waals interactions for jump-in, and the JKR theory for jump out of contact, and show that for μ > 5 , the predicted hysteresis loss is then close to that found by direct numerical solutions using the Lennard-Jones force law. We also show how the same method can be adapted to allow for contact between bodies with finite support stiffness.

Exclusion Bounds for Extended Anyons

NASA Astrophysics Data System (ADS)

Larson, Simon; Lundholm, Douglas

2018-01-01

We introduce a rigorous approach to the many-body spectral theory of extended anyons, that is quantum particles confined to two dimensions that interact via attached magnetic fluxes of finite extent. Our main results are many-body magnetic Hardy inequalities and local exclusion principles for these particles, leading to estimates for the ground-state energy of the anyon gas over the full range of the parameters. This brings out further non-trivial aspects in the dependence on the anyonic statistics parameter, and also gives improvements in the ideal (non-extended) case.

Comparison of two free-energy expressions and their implications in surface enrichment

NASA Astrophysics Data System (ADS)

Jerry, Rocco A.; Nauman, E. Bruce

1993-08-01

We compare two free-energy expressions, developed by Cohen and Muthukumar [J. Chem. Phys. 90, 5749 (1989)] and by Jerry and Nauman [J. Colloid Interface Sci. 154, 122 (1992)], in terms of their predictions concerning surface enrichment. We show that a term must be added to the former expression so that it may predict the correct dependence of the surface composition on the bulk. The latter expression does predict the correct dependence. We have also derived the quadratic surface-energy contribution from a finite (nonzero) range interaction model.

Advances and trends in structures and dynamics; Proceedings of the Symposium, Washington, DC, October 22-25, 1984

NASA Technical Reports Server (NTRS)

Noor, A. K. (Editor); Hayduk, R. J. (Editor)

1985-01-01

Among the topics discussed are developments in structural engineering hardware and software, computation for fracture mechanics, trends in numerical analysis and parallel algorithms, mechanics of materials, advances in finite element methods, composite materials and structures, determinations of random motion and dynamic response, optimization theory, automotive tire modeling methods and contact problems, the damping and control of aircraft structures, and advanced structural applications. Specific topics covered include structural design expert systems, the evaluation of finite element system architectures, systolic arrays for finite element analyses, nonlinear finite element computations, hierarchical boundary elements, adaptive substructuring techniques in elastoplastic finite element analyses, automatic tracking of crack propagation, a theory of rate-dependent plasticity, the torsional stability of nonlinear eccentric structures, a computation method for fluid-structure interaction, the seismic analysis of three-dimensional soil-structure interaction, a stress analysis for a composite sandwich panel, toughness criterion identification for unidirectional composite laminates, the modeling of submerged cable dynamics, and damping synthesis for flexible spacecraft structures.

A finite difference analysis of the field present behind an acoustically impenetrable two-layer barrier.

PubMed

Hurrell, Andrew M

2008-06-01

The interaction of an incident sound wave with an acoustically impenetrable two-layer barrier is considered. Of particular interest is the presence of several acoustic wave components in the shadow region of this barrier. A finite difference model capable of simulating this geometry is validated by comparison to the analytical solution for an idealized, hard-soft barrier. A panel comprising a high air-content closed cell foam backed with an elastic (metal) back plate is then examined. The insertion loss of this panel was found to exceed the dynamic range of the measurement system and was thus acoustically impenetrable. Experimental results from such a panel are shown to contain artifacts not present in the diffraction solution, when acoustic waves are incident upon the soft surface. A finite difference analysis of this experimental configuration replicates the presence of the additional field components. Furthermore, the simulated results allow the additional components to be identified as arising from the S(0) and A(0) Lamb modes traveling in the elastic plate. These Lamb mode artifacts are not found to be present in the shadow region when the acoustic waves are incident upon the elastic surface.

Electrostatic screening in classical Coulomb fluids: exponential or power-law decay or both? An investigation into the effect of dispersion interactions

NASA Astrophysics Data System (ADS)

Kjellander, Roland

2006-04-01

It is shown that the nature of the non-electrostatic part of the pair interaction potential in classical Coulomb fluids can have a profound influence on the screening behaviour. Two cases are compared: (i) when the non-electrostatic part equals an arbitrary finite-ranged interaction and (ii) when a dispersion r-6 interaction potential is included. A formal analysis is done in exact statistical mechanics, including an investigation of the bridge function. It is found that the Coulombic r-1 and the dispersion r-6 potentials are coupled in a very intricate manner as regards the screening behaviour. The classical one-component plasma (OCP) is a particularly clear example due to its simplicity and is investigated in detail. When the dispersion r-6 potential is turned on, the screened electrostatic potential from a particle goes from a monotonic exponential decay, exp(-κr)/r, to a power-law decay, r-8, for large r. The pair distribution function acquire, at the same time, an r-10 decay for large r instead of the exponential one. There still remains exponentially decaying contributions to both functions, but these contributions turn oscillatory when the r-6 interaction is switched on. When the Coulomb interaction is turned off but the dispersion r-6 pair potential is kept, the decay of the pair distribution function for large r goes over from the r-10 to an r-6 behaviour, which is the normal one for fluids of electroneutral particles with dispersion interactions. Differences and similarities compared to binary electrolytes are pointed out.

The influence of interspecific interactions on species range expansion rates

USGS Publications Warehouse

Svenning, Jens-Christian; Gravel, Dominique; Holt, Robert D.; Schurr, Frank M.; Thuiller, Wilfried; Münkemüller, Tamara; Schiffers, Katja H.; Dullinger, Stefan; Edwards, Thomas C.; Hickler, Thomas; Higgins, Steven I.; Nabel, Julia E.M.S.; Pagel, Jörn; Normand, Signe

2014-01-01

Ongoing and predicted global change makes understanding and predicting species’ range shifts an urgent scientific priority. Here, we provide a synthetic perspective on the so far poorly understood effects of interspecific interactions on range expansion rates. We present theoretical foundations for how interspecific interactions may modulate range expansion rates, consider examples from empirical studies of biological invasions and natural range expansions as well as process-based simulations, and discuss how interspecific interactions can be more broadly represented in process-based, spatiotemporally explicit range forecasts. Theory tells us that interspecific interactions affect expansion rates via alteration of local population growth rates and spatial displacement rates, but also via effects on other demographic parameters. The best empirical evidence for interspecific effects on expansion rates comes from studies of biological invasions. Notably, invasion studies indicate that competitive dominance and release from specialized enemies can enhance expansion rates. Studies of natural range expansions especially point to the potential for competition from resident species to reduce expansion rates. Overall, it is clear that interspecific interactions may have important consequences for range dynamics, but also that their effects have received too little attention to robustly generalize on their importance. We then discuss how interspecific interactions effects can be more widely incorporated in dynamic modeling of range expansions. Importantly, models must describe spatiotemporal variation in both local population dynamics and dispersal. Finally, we derive the following guidelines for when it is particularly important to explicitly represent interspecific interactions in dynamic range expansion forecasts: if most interacting species show correlated spatial or temporal trends in their effects on the target species, if the number of interacting species is low, and if the abundance of one or more strongly interacting species is not closely linked to the abundance of the target species.

The influence of interspecific interactions on species range expansion rates.

PubMed

Svenning, Jens-Christian; Gravel, Dominique; Holt, Robert D; Schurr, Frank M; Thuiller, Wilfried; Münkemüller, Tamara; Schiffers, Katja H; Dullinger, Stefan; Edwards, Thomas C; Hickler, Thomas; Higgins, Steven I; Nabel, Julia E M S; Pagel, Jörn; Normand, Signe

2014-12-01

Ongoing and predicted global change makes understanding and predicting species' range shifts an urgent scientific priority. Here, we provide a synthetic perspective on the so far poorly understood effects of interspecific interactions on range expansion rates. We present theoretical foundations for how interspecific interactions may modulate range expansion rates, consider examples from empirical studies of biological invasions and natural range expansions as well as process-based simulations, and discuss how interspecific interactions can be more broadly represented in process-based, spatiotemporally explicit range forecasts. Theory tells us that interspecific interactions affect expansion rates via alteration of local population growth rates and spatial displacement rates, but also via effects on other demographic parameters. The best empirical evidence for interspecific effects on expansion rates comes from studies of biological invasions. Notably, invasion studies indicate that competitive dominance and release from specialized enemies can enhance expansion rates. Studies of natural range expansions especially point to the potential for competition from resident species to reduce expansion rates. Overall, it is clear that interspecific interactions may have important consequences for range dynamics, but also that their effects have received too little attention to robustly generalize on their importance. We then discuss how interspecific interactions effects can be more widely incorporated in dynamic modeling of range expansions. Importantly, models must describe spatiotemporal variation in both local population dynamics and dispersal. Finally, we derive the following guidelines for when it is particularly important to explicitly represent interspecific interactions in dynamic range expansion forecasts: if most interacting species show correlated spatial or temporal trends in their effects on the target species, if the number of interacting species is low, and if the abundance of one or more strongly interacting species is not closely linked to the abundance of the target species.

The influence of interspecific interactions on species range expansion rates

PubMed Central

Svenning, Jens-Christian; Gravel, Dominique; Holt, Robert D.; Schurr, Frank M.; Thuiller, Wilfried; Münkemüller, Tamara; Schiffers, Katja H.; Dullinger, Stefan; Edwards, Thomas C.; Hickler, Thomas; Higgins, Steven I.; Nabel, Julia E. M. S.; Pagel, Jörn; Normand, Signe

2014-01-01

Ongoing and predicted global change makes understanding and predicting species’ range shifts an urgent scientific priority. Here, we provide a synthetic perspective on the so far poorly understood effects of interspecific interactions on range expansion rates. We present theoretical foundations for how interspecific interactions may modulate range expansion rates, consider examples from empirical studies of biological invasions and natural range expansions as well as process-based simulations, and discuss how interspecific interactions can be more broadly represented in process-based, spatiotemporally explicit range forecasts. Theory tells us that interspecific interactions affect expansion rates via alteration of local population growth rates and spatial displacement rates, but also via effects on other demographic parameters. The best empirical evidence for interspecific effects on expansion rates comes from studies of biological invasions. Notably, invasion studies indicate that competitive dominance and release from specialized enemies can enhance expansion rates. Studies of natural range expansions especially point to the potential for competition from resident species to reduce expansion rates. Overall, it is clear that interspecific interactions may have important consequences for range dynamics, but also that their effects have received too little attention to robustly generalize on their importance. We then discuss how interspecific interactions effects can be more widely incorporated in dynamic modeling of range expansions. Importantly, models must describe spatiotemporal variation in both local population dynamics and dispersal. Finally, we derive the following guidelines for when it is particularly important to explicitly represent interspecific interactions in dynamic range expansion forecasts: if most interacting species show correlated spatial or temporal trends in their effects on the target species, if the number of interacting species is low, and if the abundance of one or more strongly interacting species is not closely linked to the abundance of the target species. PMID:25722537

Solute atmospheres at dislocations

DOE PAGES

Hirth, John P.; Barnett, David M.; Hoagland, Richard G.

2017-06-01

In this study, a two-dimensional plane strain elastic solution is determined for the Cottrell solute atmosphere around an edge dislocation in an infinitely long cylinder of finite radius (the matrix), in which rows of solutes are represented by cylindrical rods with in-plane hydrostatic misfit (axial misfit is also considered). The periphery of the matrix is traction-free, thus introducing an image solute field which generates a solute-solute interaction energy that has not been considered previously. The relevant energy for the field of any distribution of solutes coexistent with a single edge dislocation along the (matrix) cylinder axis is determined, and coherencymore » effects are discussed and studied. Monte Carlo simulations accounting for all pertinent interactions over a range of temperatures are found to yield solute distributions different from classical results, namely, (1) Fermi-Dirac condensations at low temperatures at the free surface, (2) the majority of the atmosphere lying within an unexpectedly large non-linear interaction region near the dislocation core, and (3) temperature-dependent asymmetrical solute arrangements that promote bending. The solute distributions at intermediate temperatures show a 1/r dependence in agreement with previous linearized approximations. With a standard state of solute corresponding to a mean concentration, c 0, the relevant interaction energy expression presented in this work is valid when extended to large concentrations for which Henry's Law and Vegard's Law do not apply.« less

Solute atmospheres at dislocations

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

Hirth, John P.; Barnett, David M.; Hoagland, Richard G.

In this study, a two-dimensional plane strain elastic solution is determined for the Cottrell solute atmosphere around an edge dislocation in an infinitely long cylinder of finite radius (the matrix), in which rows of solutes are represented by cylindrical rods with in-plane hydrostatic misfit (axial misfit is also considered). The periphery of the matrix is traction-free, thus introducing an image solute field which generates a solute-solute interaction energy that has not been considered previously. The relevant energy for the field of any distribution of solutes coexistent with a single edge dislocation along the (matrix) cylinder axis is determined, and coherencymore » effects are discussed and studied. Monte Carlo simulations accounting for all pertinent interactions over a range of temperatures are found to yield solute distributions different from classical results, namely, (1) Fermi-Dirac condensations at low temperatures at the free surface, (2) the majority of the atmosphere lying within an unexpectedly large non-linear interaction region near the dislocation core, and (3) temperature-dependent asymmetrical solute arrangements that promote bending. The solute distributions at intermediate temperatures show a 1/r dependence in agreement with previous linearized approximations. With a standard state of solute corresponding to a mean concentration, c 0, the relevant interaction energy expression presented in this work is valid when extended to large concentrations for which Henry's Law and Vegard's Law do not apply.« less

A numerical model of a red blood cell infected by Plasmodium falciparum malaria: coupling cell mechanics with ligand-receptor interactions

NASA Astrophysics Data System (ADS)

Ishida, Shunichi; Imai, Yohsuke; Ichikawa, Yuki; Nix, Stephanie; Matsunaga, Daiki; Omori, Toshihiro; Ishikawa, Takuji

2016-01-01

We developed a numerical model of the behavior of a red blood cell infected by Plasmodium falciparum malaria on a wall in shear flow. The fluid and solid mechanics of an infected red blood cell (Pf-IRBC) were coupled with the biochemical interaction of ligand-receptor bindings. We used the boundary element method for fluid mechanics, the finite element method for membrane mechanics, and the Monte Carlo method for ligand-receptor interactions. We simulated the behavior of a Pf-IRBC in shear flow, focusing on the effects of bond type. For slip bonds, the Pf-IRBC exhibited firm adhesion, tumbling motion, and tank-treading motion, depending on the applied shear rate. The behavior of catch bonds resembled that of slip bonds, except for a 'catch' state at high shear stress. When the reactive compliance decreased to a value in the order of ? nm, both the slip and catch bonds behaved like an ideal bond. Such bonds do not respond to the force applied to the bond, and the velocity is stabilized at a high shear rate. Finally, we compared the numerical results with previous experiments for A4- and ItG-infected cells. We found that the interaction between PfEMP1 and ICAM-1 could be a nearly ideal bond, with a dissociation rate ranging from ? to ?.

Finite-element simulation of ground-water flow in the vicinity of Yucca Mountain, Nevada-California

USGS Publications Warehouse

Czarnecki, J.B.; Waddell, R.K.

1984-01-01

A finite-element model of the groundwater flow system in the vicinity of Yucca Mountain at the Nevada Test Site was developed using parameter estimation techniques. The model simulated steady-state ground-water flow occurring in tuffaceous, volcanic , and carbonate rocks, and alluvial aquifers. Hydraulic gradients in the modeled area range from 0.00001 for carbonate aquifers to 0.19 for barriers in tuffaceous rocks. Three model parameters were used in estimating transmissivity in six zones. Simulated hydraulic-head values range from about 1,200 m near Timber Mountain to about 300 m near Furnace Creek Ranch. Model residuals for simulated versus measured hydraulic heads range from -28.6 to 21.4 m; most are less than +/-7 m, indicating an acceptable representation of the hydrologic system by the model. Sensitivity analyses of the model 's flux boundary condition variables were performed to assess the effect of varying boundary fluxes on the calculation of estimated model transmissivities. Varying the flux variables representing discharge at Franklin Lake and Furnace Creek Ranch has greater effect than varying other flux variables. (Author 's abstract)

Resonating group method as applied to the spectroscopy of α-transfer reactions

NASA Astrophysics Data System (ADS)

Subbotin, V. B.; Semjonov, V. M.; Gridnev, K. A.; Hefter, E. F.

1983-10-01

In the conventional approach to α-transfer reactions the finite- and/or zero-range distorted-wave Born approximation is used in liaison with a macroscopic description of the captured α particle in the residual nucleus. Here the specific example of 16O(6Li,d)20Ne reactions at different projectile energies is taken to present a microscopic resonating group method analysis of the α particle in the final nucleus (for the reaction part the simple zero-range distorted-wave Born approximation is employed). In the discussion of suitable nucleon-nucleon interactions, force number one of the effective interactions presented by Volkov is shown to be most appropriate for the system considered. Application of the continuous analog of Newton's method to the evaluation of the resonating group method equations yields an increased accuracy with respect to traditional methods. The resonating group method description induces only minor changes in the structures of the angular distributions, but it does serve its purpose in yielding reliable and consistent spectroscopic information. NUCLEAR STRUCTURE 16O(6Li,d)20Ne; E=20 to 32 MeV; calculated B(E2); reduced widths, dσdΩ extracted α-spectroscopic factors. ZRDWBA with microscope RGM description of residual α particle in 20Ne; application of continuous analog of Newton's method; tested and applied Volkov force No. 1; direct mechanism.

Finite size effects on the experimental observables of the Glauber model: a theoretical and experimental investigation

NASA Astrophysics Data System (ADS)

Vindigni, A.; Bogani, L.; Gatteschi, D.; Sessoli, R.; Rettori, A.; Novak, M. A.

2004-05-01

We investigate the relaxation time, τ, of a dilute Glauber kinetic Ising chain obtained by ac susceptibility and SQUID magnetometry on a Co(II)-organic radical Ising 1D ferrimagnet doped with Zn(II). Theoretically we predicted a crossover in the temperature-dependence of τ, when the average segment is of the same order of the correlation length. Comparing the experimental results with theory we conclude that in the investigted temperature range the correlation length exceeds the finite length also in the pure sample.

Finite-Size Scaling of a First-Order Dynamical Phase Transition: Adaptive Population Dynamics and an Effective Model

NASA Astrophysics Data System (ADS)

Nemoto, Takahiro; Jack, Robert L.; Lecomte, Vivien

2017-03-01

We analyze large deviations of the time-averaged activity in the one-dimensional Fredrickson-Andersen model, both numerically and analytically. The model exhibits a dynamical phase transition, which appears as a singularity in the large deviation function. We analyze the finite-size scaling of this phase transition numerically, by generalizing an existing cloning algorithm to include a multicanonical feedback control: this significantly improves the computational efficiency. Motivated by these numerical results, we formulate an effective theory for the model in the vicinity of the phase transition, which accounts quantitatively for the observed behavior. We discuss potential applications of the numerical method and the effective theory in a range of more general contexts.

Mode-coupling and wave-particle interactions for unstable ion-acoustic waves.

NASA Technical Reports Server (NTRS)

Martin, P.; Fried, B. D.

1972-01-01

A theory for the spatial development of linearly unstable, coupled waves is presented in which both quasilinear and mode-coupling effects are treated in a self-consistent manner. Steady-state excitation of two waves is assumed at the boundary x = 0, the plasma being homogeneous in the y and z directions. Coupled equations are derived for the x dependence of the amplitudes of the primary waves and the secondary waves, correct through terms of second order in the wave amplitude, but without the usual approximation of small growth rates. This general formalism is then applied to the case of coupled ion-acoustic waves driven unstable by an ion beam streaming in the direction of the x axis. If the modifications of the ion beam by the waves (quasilinear effects) are ignored, explosive instabilities (singularities in all of the amplitudes at finite x) are found even when all of the waves have positive energy. If these wave-particle interactions are included, the solutions are no longer singular, and all of the amplitudes have finite maxima.

Mode coupling and wave particle interactions for unstable ion acoustic waves

NASA Technical Reports Server (NTRS)

Martin, P.; Fried, B. D.

1972-01-01

A theory for the spatial development of linearly unstable, coupled waves is presented in which both quasi-linear and mode coupling effects are treated in a self-consistent manner. Steady state excitation of two waves is assumed at the boundary x = 0, the plasma being homogeneous in the y and z directions. Coupled equations are derived for the x dependence of the amplitudes of the primary waves and the secondary waves, correct through second order terms in the wave amplitude, but without usual approximation of small growth rates. This general formalism is then applied to the case of coupled ion acoustic waves driven unstable by an ion beam streaming in the direction of the x axis. If the modifications of the ion beam by the waves (quasi-linear effects) are ignored, explosive instabilities (singularities in all of the amplitudes at finite x) are found, even when all of the waves have positive energy. If these wave-particle interactions are included, the solutions are no longer singular, and all of the amplitudes have finite maxima.

Dynamics and Melting of Finite Plasma Crystals

NASA Astrophysics Data System (ADS)

Ludwig, Patrick; K"Ahlert, Hanno; Baumgartner, Henning; Thomsen, Hauke; Bonitz, Michael

2009-11-01

Interacting few-particle systems in external trapping potentials are of strong current interest since they allow to realize and control strong correlation and quantum effects [1]. Here, we present our recent results on the structural and thermodynamic properties of the crystal-like Wigner phase of complex plasma confined in a 3D harmonic potential. We discuss the linear response of the strongly correlated system to external excitations, which can be described in terms of normal modes [2]. By means of first-principle simulations the details of the melting phase transitions of these mesoscopic systems are systematically analysed with the melting temperatures being determined by a modified Lindemann parameter for the pair distance fluctuations [3]. The critical temperatures turn out to be utmost sensitive to finite size effects (i.e., the exact particle number), and form of the (screened) interaction potential.[4pt] [1] PhD Thesis, P. Ludwig, U Rostock (2008)[0pt] [2] C. Henning et al., J. Phys. A 42, 214023 (2009)[0pt] [3] B"oning et al., Phys. Rev. Lett. 100, 113401 (2008)

Impact analyses for negative flexural responses (hogging) in railway prestressed concrete sleepers

NASA Astrophysics Data System (ADS)

Kaewunruen, S.; Ishida, T.; Remennikov, AM

2016-09-01

By nature, ballast interacts with railway concrete sleepers in order to provide bearing support to track system. Most train-track dynamic models do not consider the degradation of ballast over time. In fact, the ballast degradation causes differential settlement and impact forces acting on partial and unsupported tracks. Furthermore, localised ballast breakages underneath railseat increase the likelihood of centrebound cracks in concrete sleepers due to the unbalanced support under sleepers. This paper presents a dynamic finite element model of a standard-gauge concrete sleeper in a track system, taking into account the tensionless nature of ballast support. The finite element model was calibrated using static and dynamic responses in the past. In this paper, the effects of centre-bound ballast support on the impact behaviours of sleepers are highlighted. In addition, it is the first to demonstrate the dynamic effects of sleeper length on the dynamic design deficiency in concrete sleepers. The outcome of this study will benefit the rail maintenance criteria of track resurfacing in order to restore ballast profile and appropriate sleeper/ballast interaction.

Electrical control of spin dynamics in finite one-dimensional systems

NASA Astrophysics Data System (ADS)

Pertsova, A.; Stamenova, M.; Sanvito, S.

2011-10-01

We investigate the possibility of the electrical control of spin transfer in monoatomic chains incorporating spin impurities. Our theoretical framework is the mixed quantum-classical (Ehrenfest) description of the spin dynamics, in the spirit of the s-d model, where the itinerant electrons are described by a tight-binding model while localized spins are treated classically. Our main focus is on the dynamical exchange interaction between two well-separated spins. This can be quantified by the transfer of excitations in the form of transverse spin oscillations. We systematically study the effect of an electrostatic gate bias Vg on the interconnecting channel and we map out the long-range dynamical spin transfer as a function of Vg. We identify regions of Vg giving rise to significant amplification of the spin transmission at low frequencies and relate this to the electronic structure of the channel.

Optimal deployment of resources for maximizing impact in spreading processes

PubMed Central

2017-01-01

The effective use of limited resources for controlling spreading processes on networks is of prime significance in diverse contexts, ranging from the identification of “influential spreaders” for maximizing information dissemination and targeted interventions in regulatory networks, to the development of mitigation policies for infectious diseases and financial contagion in economic systems. Solutions for these optimization tasks that are based purely on topological arguments are not fully satisfactory; in realistic settings, the problem is often characterized by heterogeneous interactions and requires interventions in a dynamic fashion over a finite time window via a restricted set of controllable nodes. The optimal distribution of available resources hence results from an interplay between network topology and spreading dynamics. We show how these problems can be addressed as particular instances of a universal analytical framework based on a scalable dynamic message-passing approach and demonstrate the efficacy of the method on a variety of real-world examples. PMID:28900013

Role of electron-phonon coupling in finite-temperature dielectric functions of Au, Ag, and Cu

NASA Astrophysics Data System (ADS)

Xu, Meng; Yang, Jia-Yue; Zhang, Shangyu; Liu, Linhua

2017-09-01

Realistic representation of finite temperature dielectric functions of noble metals is crucial in describing the optical properties of advancing applications in plasmonics and optical metamaterials. However, the atomistic origins of the temperature dependence of noble metals' dielectric functions still lack full explanation. In this paper, we implement electronic structure calculations as well as ellipsometry experiments to study the finite temperature dielectric functions of noble metals Au, Ag, and Cu. Theoretically, the intraband dielectric function is described by the Drude model, of which the important quantity electron lifetime is obtained by considering the electron-phonon, electron-electron, and electron-surface scattering mechanism. The electron-phonon coupling is key to determining the temperature dependence of electron lifetime and intraband dielectric function. For the interband dielectric function, it arises from the electronic interband transition. Due to the limitation of incorporating electron-phonon coupling into the interband transition scheme, the temperature dependence of the interband dielectric function is mainly determined by the thermal expansion effect. Experimentally, variable angle spectroscopic ellipsometry measures the dielectric functions of Au and Ag over the temperature range of 300-700 K and spectral range of 2-20 µm. Those experimental measurements are consistent with theoretical results and thus verify the theoretical models for the finite temperature dielectric function.

Fluctuations in non-ideal pion gas with dynamically fixed particle number

NASA Astrophysics Data System (ADS)

Kolomeitsev, E. E.; Voskresensky, D. N.

2018-05-01

We consider a non-ideal hot pion gas with the dynamically fixed number of particles in the model with the λϕ4 interaction. The effective Lagrangian for the description of such a system is obtained after dropping the terms responsible for the change of the total particle number. Reactions π+π- ↔π0π0, which determine the isospin balance of the medium, are permitted. Within the self-consistent Hartree approximation we compute the effective pion mass, thermodynamic characteristics of the system and the variance of the particle number at temperatures above the critical point of the induced Bose-Einstein condensation when the pion chemical potential reaches the value of the effective pion mass. We analyze conditions for the condensate formation in the process of thermalization of an initially non-equilibrium pion gas. The normalized variance of the particle number increases with a temperature decrease but remains finite in the critical point of the Bose-Einstein condensation. This is due to the non-perturbative account of the interaction and is in contrast to the ideal-gas case. In the kinetic regime of the condensate formation the variance is shown to stay finite also.

Taming axial dispersion in hydrodynamic chromatography columns through wall patterning

NASA Astrophysics Data System (ADS)

Adrover, Alessandra; Cerbelli, Stefano; Giona, Massimiliano

2018-04-01

A well-known limitation of hydrodynamic chromatography arises from the synergistic interaction between transverse diffusion and streamwise convection, which enhances axial dispersion through the Taylor-Aris mechanism. We show that a periodic sequence of slip/no-slip conditions at the channel walls (e.g., representing wall indentations hosting stable air pockets) can significantly reduce axial dispersion, thus enhancing separation performance. The theoretical/numerical analysis is based on a generalization of Brenner's macrotransport approach to solute transport, here modified to account for the finite-size of the suspended particles. The most effective dispersion-taming outcome is observed when the alternating sequence of slip/no-slip conditions yields non-vanishing cross-sectional flow components. The combination of these components with the hindering interaction between the channel boundaries and the finite-sized particles gives rise to a non-trivial solution of Brenner's problem on the unit periodic cell, where the cross-sectional particle number density departs from the spatially homogeneous condition. In turn, this effect impacts upon the solution of the so-called b-field defining the large-scale dispersion tensor, with an overall decremental effect on the axial dispersion coefficient and on the Height Equivalent of a Theoretical Plate.

Bubble Dynamics on a Heated Surface

NASA Technical Reports Server (NTRS)

Kassemi, Mohammad; Rashidnia, Nasser

1996-01-01

In this work, we study the combined thermocapillary and natural convective flow generated by a bubble on a heated solid surface. The interaction between gas and vapor bubbles with the surrounding fluid is of interest for both space and ground-based processing. On earth, the volumetric forces are dominant, especially, in apparatuses with large volume to surface ratio. But in the reduced gravity environment of orbiting spacecraft, surface forces become more important and the effects of Marangoni convection are easily unmasked. In order to delineate the roles of the various interacting phenomena, a combined numerical-experimental approach is adopted. The temperature field is visualized using Mach-Zehnder interferometry and the flow field is observed by a laser sheet flow visualization technique. A finite element numerical model is developed which solves the two-dimensional momentum and energy equations and includes the effects of bubble surface deformation. Steady state temperature and velocity fields predicted by the finite element model are in excellent qualitative agreement with the experimental results. A parametric study of the interaction between Marangoni and natural convective flows including conditions pertinent to microgravity space experiments is presented. Numerical simulations clearly indicate that there is a considerable difference between 1-g and low-g temperature and flow fields induced by the bubble.

Effective Dynamics of Microorganisms That Interact with Their Own Trail

NASA Astrophysics Data System (ADS)

Kranz, W. Till; Gelimson, Anatolij; Zhao, Kun; Wong, Gerard C. L.; Golestanian, Ramin

2016-07-01

Like ants, some microorganisms are known to leave trails on surfaces to communicate. We explore how trail-mediated self-interaction could affect the behavior of individual microorganisms when diffusive spreading of the trail is negligible on the time scale of the microorganism using a simple phenomenological model for an actively moving particle and a finite-width trail. The effective dynamics of each microorganism takes on the form of a stochastic integral equation with the trail interaction appearing in the form of short-term memory. For a moderate coupling strength below an emergent critical value, the dynamics exhibits effective diffusion in both orientation and position after a phase of superdiffusive reorientation. We report experimental verification of a seemingly counterintuitive perpendicular alignment mechanism that emerges from the model.

Evaluation of an improved finite-element thermal stress calculation technique

NASA Technical Reports Server (NTRS)

Camarda, C. J.

1982-01-01

A procedure for generating accurate thermal stresses with coarse finite element grids (Ojalvo's method) is described. The procedure is based on the observation that for linear thermoelastic problems, the thermal stresses may be envisioned as being composed of two contributions; the first due to the strains in the structure which depend on the integral of the temperature distribution over the finite element and the second due to the local variation of the temperature in the element. The first contribution can be accurately predicted with a coarse finite-element mesh. The resulting strain distribution can then be combined via the constitutive relations with detailed temperatures from a separate thermal analysis. The result is accurate thermal stresses from coarse finite element structural models even where the temperature distributions have sharp variations. The range of applicability of the method for various classes of thermostructural problems such as in-plane or bending type problems and the effect of the nature of the temperature distribution and edge constraints are addressed. Ojalvo's method is used in conjunction with the SPAR finite element program. Results are obtained for rods, membranes, a box beam and a stiffened panel.

NASTRAN data generation of helicopter fuselages using interactive graphics. [preprocessor system for finite element analysis using IBM computer

NASA Technical Reports Server (NTRS)

Sainsbury-Carter, J. B.; Conaway, J. H.

1973-01-01

The development and implementation of a preprocessor system for the finite element analysis of helicopter fuselages is described. The system utilizes interactive graphics for the generation, display, and editing of NASTRAN data for fuselage models. It is operated from an IBM 2250 cathode ray tube (CRT) console driven by an IBM 370/145 computer. Real time interaction plus automatic data generation reduces the nominal 6 to 10 week time for manual generation and checking of data to a few days. The interactive graphics system consists of a series of satellite programs operated from a central NASTRAN Systems Monitor. Fuselage structural models including the outer shell and internal structure may be rapidly generated. All numbering systems are automatically assigned. Hard copy plots of the model labeled with GRID or elements ID's are also available. General purpose programs for displaying and editing NASTRAN data are included in the system. Utilization of the NASTRAN interactive graphics system has made possible the multiple finite element analysis of complex helicopter fuselage structures within design schedules.

An interacting boundary layer model for cascades

NASA Technical Reports Server (NTRS)

Davis, R. T.; Rothmayer, A. P.

1983-01-01

A laminar, incompressible interacting boundary layer model is developed for two-dimensional cascades. In the limit of large cascade spacing these equations reduce to the interacting boundary layer equations for a single body immersed in an infinite stream. A fully implicit numerical method is used to solve the governing equations, and is found to be at least as efficient as the same technique applied to the single body problem. Solutions are then presented for a cascade of finite flat plates and a cascade of finite sine-waves, with cusped leading and trailing edges.

Study on interaction between induced and natural fractures by extended finite element method

NASA Astrophysics Data System (ADS)

Xu, DanDan; Liu, ZhanLi; Zhuang, Zhuo; Zeng, QingLei; Wang, Tao

2017-02-01

Fracking is one of the kernel technologies in the remarkable shale gas revolution. The extended finite element method is used in this paper to numerically investigate the interaction between hydraulic and natural fractures, which is an important issue of the enigmatic fracture network formation in fracking. The criteria which control the opening of natural fracture and crossing of hydraulic fracture are tentatively presented. Influence factors on the interaction process are systematically analyzed, which include the approach angle, anisotropy of in-situ stress and fluid pressure profile.

Landau instability and mobility edges of the interacting one-dimensional Bose gas in weak random potentials

NASA Astrophysics Data System (ADS)

Cherny, Alexander Yu; Caux, Jean-Sébastien; Brand, Joachim

2018-01-01

We study the frictional force exerted on the trapped, interacting 1D Bose gas under the influence of a moving random potential. Specifically we consider weak potentials generated by optical speckle patterns with finite correlation length. We show that repulsive interactions between bosons lead to a superfluid response and suppression of frictional force, which can inhibit the onset of Anderson localisation. We perform a quantitative analysis of the Landau instability based on the dynamic structure factor of the integrable Lieb-Liniger model and demonstrate the existence of effective mobility edges.

Flow adjustment inside large finite-size wind farms approaching the infinite wind farm regime

NASA Astrophysics Data System (ADS)

Wu, Ka Ling; Porté-Agel, Fernando

2017-04-01

Due to the increasing number and the growing size of wind farms, the distance among them continues to decrease. Thus, it is necessary to understand how these large finite-size wind farms and their wakes could interfere the atmospheric boundary layer (ABL) dynamics and adjacent wind farms. Fully-developed flow inside wind farms has been extensively studied through numerical simulations of infinite wind farms. The transportation of momentum and energy is only vertical and the advection of them is neglected in these infinite wind farms. However, less attention has been paid to examine the length of wind farms required to reach such asymptotic regime and the ABL dynamics in the leading and trailing edges of the large finite-size wind farms. Large eddy simulations are performed in this study to investigate the flow adjustment inside large finite-size wind farms in conventionally-neutral boundary layer with the effect of Coriolis force and free-atmosphere stratification from 1 to 5 K/km. For the large finite-size wind farms considered in the present work, when the potential temperature lapse rate is 5 K/km, the wind farms exceed the height of the ABL by two orders of magnitude for the incoming flow inside the farms to approach the fully-developed regime. An entrance fetch of approximately 40 times of the ABL height is also required for such flow adjustment. At the fully-developed flow regime of the large finite-size wind farms, the flow characteristics match those of infinite wind farms even though they have different adjustment length scales. The role of advection at the entrance and exit regions of the large finite-size wind farms is also examined. The interaction between the internal boundary layer developed above the large finite-size wind farms and the ABL under different potential temperature lapse rates are compared. It is shown that the potential temperature lapse rate plays a role in whether the flow inside the large finite-size wind farms adjusts to the fully-developed flow regime. The flow characteristics of the wake of these large finite-size wind farms are reported to forecast the effect of large finite-size wind farms on adjacent wind farms. A power deficit as large as 8% is found at a distance of 10 km downwind from the large finite-size wind farms.

Finite Element Multi-scale Modeling of Chemical Segregation in Steel Solidification Taking into Account the Transport of Equiaxed Grains

NASA Astrophysics Data System (ADS)

Nguyen, Thi-Thuy-My; Gandin, Charles-André; Combeau, Hervé; Založnik, Miha; Bellet, Michel

2018-02-01

The transport of solid crystals in the liquid pool during solidification of large ingots is known to have a significant effect on their final grain structure and macrosegregation. Numerical modeling of the associated physics is challenging since complex and strong interactions between heat and mass transfer at the microscopic and macroscopic scales must be taken into account. The paper presents a finite element multi-scale solidification model coupling nucleation, growth, and solute diffusion at the microscopic scale, represented by a single unique grain, while also including transport of the liquid and solid phases at the macroscopic scale of the ingots. The numerical resolution is based on a splitting method which sequentially describes the evolution and interaction of quantities into a transport and a growth stage. This splitting method reduces the non-linear complexity of the set of equations and is, for the first time, implemented using the finite element method. This is possible due to the introduction of an artificial diffusion in all conservation equations solved by the finite element method. Simulations with and without grain transport are compared to demonstrate the impact of solid phase transport on the solidification process as well as the formation of macrosegregation in a binary alloy (Sn-5 wt pct Pb). The model is also applied to the solidification of the binary alloy Fe-0.36 wt pct C in a domain representative of a 3.3-ton steel ingot.

A viscoelastic model for dielectric elastomers based on a continuum mechanical formulation and its finite element implementation

NASA Astrophysics Data System (ADS)

Bueschel, A.; Klinkel, S.; Wagner, W.

2011-04-01

Smart materials are active and multifunctional materials, which play an important part for sensor and actuator applications. These materials have the potential to transform passive structures into adaptive systems. However, a prerequisite for the design and the optimization of these materials is, that reliable models exist, which incorporate the interaction between the different combinations of thermal, electrical, magnetic, optical and mechanical effects. Polymeric electroelastic materials, so-called electroactive polymer (EAP), own the characteristic to deform if an electric field is applied. EAP's possesses the benefit that they share the characteristic of polymers, these are lightweight, inexpensive, fracture tolerant, elastic, and the chemical and physical structure is well understood. However, the description "electroactive polymer" is a generic term for many kinds of different microscopic mechanisms and polymeric materials. Based on the laws of electromagnetism and elasticity, a visco-electroelastic model is developed and implemented into the finite element method (FEM). The presented three-dimensional solid element has eight nodes and trilinear interpolation functions for the displacement and the electric potential. The continuum mechanics model contains finite deformations, the time dependency and the nearly incompressible behavior of the material. To describe the possible, large time dependent deformations, a finite viscoelastic model with a split of the deformation gradient is used. Thereby the time dependent characteristic of polymeric materials is incorporated through the free energy function. The electromechanical interactions are considered by the electrostatic forces and inside the energy function.

Effect of Free Jet on Refraction and Noise

NASA Technical Reports Server (NTRS)

Khavaran, Abbas; Georgiadis, Nicholas J.; Bridges, James E.; Dippold, Vance F., III

2005-01-01

This article investigates the role of a free jet on the sound radiated from a jet. In particular, the role of an infinite wind tunnel, which simulates the forward flight condition, is compared to that of a finite wind tunnel. The second configuration is usually used in experiments, where the microphones are located in a static ambient medium far outside the free jet. To study the effect of the free jet on noise, both propagation and source strength need to be addressed. In this work, the exact Green's function in a locally parallel flow is derived for a simulated flight case. Numerical examples are presented that show a reduction in the magnitude of the Green's function in the aft arc and an increase in the forward arc for the simulated flight condition. The effect of finite wind tunnel on refraction is sensitive to the source location and is most pronounced in the aft arc. A Reynolds-averaged Navier-Stokes solution (RANS) yields the required mean flow and turbulence scales that are used in the jet mixing noise spectrum calculations. In addition to the sound/flow interaction, the separate effect of source strength and elongation of the noise-generating region of the jet in a forward flight is studied. Comparisons are made with experiments for the static and finite tunnel cases. Finally, the standard free-jet shear corrections that convert the finite wind tunnel measurements to an ideal wind tunnel arrangement are evaluated.

The control data "GIRAFFE" system for interactive graphic finite element analysis

NASA Technical Reports Server (NTRS)

Park, S.; Brandon, D. M., Jr.

1975-01-01

The Graphical Interface for Finite Elements (GIRAFFE) general purpose interactive graphics application package was described. This system may be used as a pre/post processor for structural analysis computer programs. It facilitates the operations of creating, editing, or reviewing all the structural input/output data on a graphics terminal in a time-sharing mode of operation. An application program for a simple three-dimensional plate problem was illustrated.

Finite Element Modeling of Intermuscular Interactions and Myofascial Force Transmission

DTIC Science & Technology

2001-10-25

obtained explain force differences at the distal and proximal tendons of muscles that have mechanical interaction. This is in agreement with experimental...consequence is that active force generated within one muscle may be exerted at the tendon of another muscle. Keywords- Finite element method...7]. Therefore, in vivo there is an additional route for force transmission out off the muscle, which completely bypasses the tendon of the muscle

Nonlocal quantum effective actions in Weyl-Flat spacetimes

NASA Astrophysics Data System (ADS)

Bautista, Teresa; Benevides, André; Dabholkar, Atish

2018-06-01

Virtual massless particles in quantum loops lead to nonlocal effects which can have interesting consequences, for example, for primordial magnetogenesis in cosmology or for computing finite N corrections in holography. We describe how the quantum effective actions summarizing these effects can be computed efficiently for Weyl-flat metrics by integrating the Weyl anomaly or, equivalently, the local renormalization group equation. This method relies only on the local Schwinger-DeWitt expansion of the heat kernel and allows for a re-summation of the anomalous leading large logarithms of the scale factor, log a( x), in situations where the Weyl factor changes by several e-foldings. As an illustration, we obtain the quantum effective action for the Yang-Mills field coupled to massless matter, and the self-interacting massless scalar field. Our action reduces to the nonlocal action obtained using the Barvinsky-Vilkovisky covariant perturbation theory in the regime R 2 ≪ ∇2 R for a typical curvature scale R, but has a greater range of validity effectively re-summing the covariant perturbation theory to all orders in curvatures. In particular, it is applicable also in the opposite regime R 2 ≫ ∇2 R, which is often of interest in cosmology.

Solving Fluid Structure Interaction Problems with an Immersed Boundary Method

NASA Technical Reports Server (NTRS)

Barad, Michael F.; Brehm, Christoph; Kiris, Cetin C.

2016-01-01

An immersed boundary method for the compressible Navier-Stokes equations can be used for moving boundary problems as well as fully coupled fluid-structure interaction is presented. The underlying Cartesian immersed boundary method of the Launch Ascent and Vehicle Aerodynamics (LAVA) framework, based on the locally stabilized immersed boundary method previously presented by the authors, is extended to account for unsteady boundary motion and coupled to linear and geometrically nonlinear structural finite element solvers. The approach is validated for moving boundary problems with prescribed body motion and fully coupled fluid structure interaction problems. Keywords: Immersed Boundary Method, Higher-Order Finite Difference Method, Fluid Structure Interaction.

Study and modeling of finite rate chemistry effects in turbulent non-premixed flames

NASA Technical Reports Server (NTRS)

Vervisch, Luc

1993-01-01

The development of numerical models that reflect some of the most important features of turbulent reacting flows requires information about the behavior of key quantities in well defined combustion regimes. In turbulent flames, the coupling between turbulent and chemical processes is so strong that it is extremely difficult to isolate the role played by one individual physical phenomenon. Direct numerical simulation (hereafter DNS) allows us to study in detail the turbulence-chemistry interaction in some restricted but completely defined situations. Globally, non-premixed flames are controlled by two limiting regimes: the fast chemistry case, where the turbulent flame can be pictured as a random distribution of local chemical equilibrium problems; and the slow chemistry case, where the chemistry integrates in time the turbulent fluctuations. The Damkoehler number, ratio of a mechanical time scale to chemical time scale, is used to distinguish between these regimes. Today most of the industrial computer codes are able to perform predictions in the hypothesis of local equilibrium chemistry using a presumed shape for the probability density function (pdt) of the conserved scalar. However, the finite rate chemistry situation is of great interest because industrial burners usually generate regimes in which, at some points, the flame is undergoing local extinction or at least non-equilibrium situations. Moreover, this variety of situations strongly influences the production of pollutants. To quantify finite rate chemistry effect, the interaction between a non-premixed flame and a free decaying turbulence is studied using DNS. The attention is focused on the dynamic of extinction, and an attempt is made to quantify the effect of the reaction on the small scale mixing process. The unequal diffusivity effect is also addressed. Finally, a simple turbulent combustion model based on the DNS observations and tractable in real flow configurations is proposed.

The quantum structure of anionic hydrogen clusters

NASA Astrophysics Data System (ADS)

Calvo, F.; Yurtsever, E.

2018-03-01

A flexible and polarizable interatomic potential has been developed to model hydrogen clusters interacting with one hydrogen anion, (H2)nH-, in a broad range of sizes n = 1-54 and parametrized against coupled cluster quantum chemical calculations. Using path-integral molecular dynamics simulations at 1 K initiated from the putative classical global minima, the equilibrium structures are found to generally rely on icosahedral shells with the hydrogen molecules pointing toward the anion, producing geometric magic numbers at sizes n = 12, 32, and 44 that are in agreement with recent mass spectrometry measurements. The energetic stability of the clusters is also connected with the extent of vibrational delocalization, measured here by the fluctuations among inherent structures hidden in the vibrational wave function. As the clusters grow, the outer molecules become increasingly free to rotate, and strong finite size effects are also found between magic numbers, associated with more prominent vibrational delocalization. The effective icosahedral structure of the 44-molecule cluster is found to originate from quantum nuclear effects as well, the classical structure showing no particular symmetry.

Vapor-liquid equilibrium and critical asymmetry of square well and short square well chain fluids.

PubMed

Li, Liyan; Sun, Fangfang; Chen, Zhitong; Wang, Long; Cai, Jun

2014-08-07

The critical behavior of square well fluids with variable interaction ranges and of short square well chain fluids have been investigated by grand canonical ensemble Monte Carlo simulations. The critical temperatures and densities were estimated by a finite-size scaling analysis with the help of histogram reweighting technique. The vapor-liquid coexistence curve in the near-critical region was determined using hyper-parallel tempering Monte Carlo simulations. The simulation results for coexistence diameters show that the contribution of |t|(1-α) to the coexistence diameter dominates the singular behavior in all systems investigated. The contribution of |t|(2β) to the coexistence diameter is larger for the system with a smaller interaction range λ. While for short square well chain fluids, longer the chain length, larger the contribution of |t|(2β). The molecular configuration greatly influences the critical asymmetry: a short soft chain fluid shows weaker critical asymmetry than a stiff chain fluid with same chain length.

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

Kirschner, Matthew S.; Ding, Wendu; Li, Yuxiu

In this study, we demonstrate that coherent acoustic phonons derived from plasmonic nanoparticles can modulate electronic interactions with proximal excitonic molecular species. A series of gold bipyramids with systematically varied aspect ratios and corresponding localized surface plasmon resonance energies, functionalized with a J-aggregated thiacarbocyanine dye molecule, produce two hybridized states that exhibit clear anti-crossing behavior with a Rabi splitting energy of 120 meV. In metal nanoparticles, photoexcitation generates coherent acoustic phonons that cause oscillations in the plasmon resonance energy. In the coupled system, these photo-generated oscillations alter the metal nanoparticle’s energetic contribution to the hybridized system and, as a result,more » change the coupling between the plasmon and exciton. We demonstrate that such modulations in the hybridization is consistent across a wide range of bipyramid ensembles. We also use Finite-Difference Time Domain calculations to develop a simple model describing this behavior. Lastly, such oscillatory plasmonic-excitonic nanomaterials (OPENs) offer a route to manipulate and dynamically-tune the interactions of plasmonic/excitonic systems and unlock a range of potential applications.« less

Neutron-19C scattering: Emergence of universal properties in a finite range potential

NASA Astrophysics Data System (ADS)

Shalchi, M. A.; Yamashita, M. T.; Hadizadeh, M. R.; Frederico, T.; Tomio, Lauro

2017-01-01

The low-energy properties of the elastic s-wave scattering for the n-19C are studied near the critical condition for the occurrence of an excited Efimov state in n-n-18C. It is established to which extent the universal scaling laws, strictly valid in the zero-range limit, survive when finite range potentials are considered. By fixing the two-neutrons separation energy in 20C with available experimental data, it is studied the scaling of the real (δ0R) and imaginary parts of the s-wave phase-shift with the variation of the n-18C binding energy. We obtain some universal characteristics given by the pole-position of kcot ⁡ (δ0R) and effective-range parameters. By increasing the n-18C binding energy, it was verified that the excited state of 20C goes to a virtual state, resembling the neutron-deuteron behavior in the triton. It is confirmed that the analytical structure of the unitary cut is not affected by the range of the potential or mass asymmetry of the three-body system.

Self Organized Sorting in Swarms

NASA Astrophysics Data System (ADS)

Copenhagen, Katherine; Quint, David; Gopinathan, Ajay

2014-03-01

Swarming behavior extends across multiple length scales in biology ranging from bacteria to whales. Natural swarms are affected by erratic, or dissenting behavior by individuals within the swarm who may display different types of behaviors than the rest of the swarm. This research investigates the introduction of heterogenous behavior amongst individuals within a swarm and their impact on swarm formation and robustness. We model swarms with a finite number of agents utilizing a velocity alignment interaction and a Lennard-Jones potential, which provides both cohesive and repulsive interactions between neighboring agents. Depending on the parameters governing the swarming interactions and the level of heterogeneity in behavior introduced, we found a variety of collective behavior including sharp transitions from swarming to non-swarming regimes and self organized sorting of individuals based on their types of behavior. Our research sheds light on the varied responses of swarms to internal dissent and suggests optimal strategies to tolerate errant individuals.

Limited communication capacity unveils strategies for human interaction

NASA Astrophysics Data System (ADS)

Miritello, Giovanna; Lara, Rubén; Cebrian, Manuel; Moro, Esteban

2013-06-01

Connectivity is the key process that characterizes the structural and functional properties of social networks. However, the bursty activity of dyadic interactions may hinder the discrimination of inactive ties from large interevent times in active ones. We develop a principled method to detect tie de-activation and apply it to a large longitudinal, cross-sectional communication dataset (~19 months, ~20 million people). Contrary to the perception of ever-growing connectivity, we observe that individuals exhibit a finite communication capacity, which limits the number of ties they can maintain active in time. On average men display higher capacity than women, and this capacity decreases for both genders over their lifespan. Separating communication capacity from activity reveals a diverse range of tie activation strategies, from stable to exploratory. This allows us to draw novel relationships between individual strategies for human interaction and the evolution of social networks at global scale.

Limited communication capacity unveils strategies for human interaction

PubMed Central

Miritello, Giovanna; Lara, Rubén; Cebrian, Manuel; Moro, Esteban

2013-01-01

Connectivity is the key process that characterizes the structural and functional properties of social networks. However, the bursty activity of dyadic interactions may hinder the discrimination of inactive ties from large interevent times in active ones. We develop a principled method to detect tie de-activation and apply it to a large longitudinal, cross-sectional communication dataset (≈19 months, ≈20 million people). Contrary to the perception of ever-growing connectivity, we observe that individuals exhibit a finite communication capacity, which limits the number of ties they can maintain active in time. On average men display higher capacity than women, and this capacity decreases for both genders over their lifespan. Separating communication capacity from activity reveals a diverse range of tie activation strategies, from stable to exploratory. This allows us to draw novel relationships between individual strategies for human interaction and the evolution of social networks at global scale. PMID:23739519

Absence of magnetic order in low-dimensional (RKKY) systems

NASA Astrophysics Data System (ADS)

Pedrocchi, Fabio; Leggett, Anthony; Loss, Daniel

2012-02-01

We extend the Mermin-Wagner theorem to a system of lattice spins which are spin-coupled to itinerant and interacting charge carriers. We use the Bogoliubov inequality to rigorously prove that neither (anti-) ferromagnetic nor helical long-range order is possible in one and two dimensions at any finite temperature. Our proof applies to a wide class of models including any form of electron-electron and single-electron interactions that are independent of spin. In the presence of Rashba or Dresselhaus spin-orbit interactions (SOI) magnetic order is not excluded and intimately connected to equilibrium spin currents. However, in the special case when Rashba and Dresselhaus SOIs are tuned to be equal, magnetic order is excluded again. This opens up a new possibility to control magnetism electrically. [4pt] References: D. Loss, F. L. Pedrocchi, and A. J. Leggett, Phys. Rev. Lett. 107, 107201 (2011).

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

Vesely, P.; Michel, N.; Toivanen, J.

For over four decades, the Skyrme functional within various parametrizations has been used to calculate nuclear properties. In the last few years there was a number of attempts to improve its performance and introduce generalized forms. In particular, the most general phenomenological quasi-local energy density functional, which contains all combinations of density, spin-density, and their derivatives up to the sixth order (N{sup 3}LO), was proposed in reference [1]. Since in the phenomenological functional approaches the particle-particle (pp) interaction channel is treated independently from the particle-hole (ph) channel, there remains a question of what pairing interaction is suitable to use withinmore » the N{sup 3}LO energy functional. In our study, we use the separable, finite-range, translationally invariant form given in [2], which we generalize to the arbitrary angular momentum channel. We discuss the application of this pairing interaction within the N{sup 3}LO energy functional.« less

Reflection and diffraction corrections for nonlinear materials characterization by quasi-static pulse measurement

NASA Astrophysics Data System (ADS)

Nagy, Peter B.; Qu, Jianmin; Jacobs, Laurence J.

2014-02-01

A harmonic acoustic tone burst propagating through an elastic solid with quadratic nonlinearity produces not only a parallel burst of second harmonic but also an often neglected quasi-static pulse associated with the acoustic radiation-induced eigenstrain. Although initial analytical and experimental studies by Yost and Cantrell suggested that the pulse might have a right-angled triangular shape with the peak displacement at the leading edge being proportional to the length of the tone burst, more recent theoretical, analytical, numerical, and experimental studies proved that the pulse has a flat-top shape and the peak displacement is proportional to the propagation length. In this paper, analytical and numerical simulation results are presented to illustrate two types of finite-size effects. First, the finite axial dimension of the specimen cannot be simply accounted for by a linear reflection coefficient that neglects the nonlinear interaction between the combined incident and reflected fields. Second, the quasistatic pulse generated by a transducer of finite aperture suffers more severe divergence than both the fundamental and second harmonic pulses generated by the same transducer. These finite-size effects can make the top of the quasi-static pulse sloped rather than flat and therefore must be taken into consideration in the interpretation of experimental data.

Reflection and diffraction corrections for nonlinear materials characterization by quasi-static pulse measurement

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

Nagy, Peter B.; Qu, Jianmin; Jacobs, Laurence J.

A harmonic acoustic tone burst propagating through an elastic solid with quadratic nonlinearity produces not only a parallel burst of second harmonic but also an often neglected quasi-static pulse associated with the acoustic radiation-induced eigenstrain. Although initial analytical and experimental studies by Yost and Cantrell suggested that the pulse might have a right-angled triangular shape with the peak displacement at the leading edge being proportional to the length of the tone burst, more recent theoretical, analytical, numerical, and experimental studies proved that the pulse has a flat-top shape and the peak displacement is proportional to the propagation length. In thismore » paper, analytical and numerical simulation results are presented to illustrate two types of finite-size effects. First, the finite axial dimension of the specimen cannot be simply accounted for by a linear reflection coefficient that neglects the nonlinear interaction between the combined incident and reflected fields. Second, the quasistatic pulse generated by a transducer of finite aperture suffers more severe divergence than both the fundamental and second harmonic pulses generated by the same transducer. These finite-size effects can make the top of the quasi-static pulse sloped rather than flat and therefore must be taken into consideration in the interpretation of experimental data.« less

Modeling of molecular diffusion and thermal conduction with multi-particle interaction in compressible turbulence

NASA Astrophysics Data System (ADS)

Tai, Y.; Watanabe, T.; Nagata, K.

2018-03-01

A mixing volume model (MVM) originally proposed for molecular diffusion in incompressible flows is extended as a model for molecular diffusion and thermal conduction in compressible turbulence. The model, established for implementation in Lagrangian simulations, is based on the interactions among spatially distributed notional particles within a finite volume. The MVM is tested with the direct numerical simulation of compressible planar jets with the jet Mach number ranging from 0.6 to 2.6. The MVM well predicts molecular diffusion and thermal conduction for a wide range of the size of mixing volume and the number of mixing particles. In the transitional region of the jet, where the scalar field exhibits a sharp jump at the edge of the shear layer, a smaller mixing volume is required for an accurate prediction of mean effects of molecular diffusion. The mixing time scale in the model is defined as the time scale of diffusive effects at a length scale of the mixing volume. The mixing time scale is well correlated for passive scalar and temperature. Probability density functions of the mixing time scale are similar for molecular diffusion and thermal conduction when the mixing volume is larger than a dissipative scale because the mixing time scale at small scales is easily affected by different distributions of intermittent small-scale structures between passive scalar and temperature. The MVM with an assumption of equal mixing time scales for molecular diffusion and thermal conduction is useful in the modeling of the thermal conduction when the modeling of the dissipation rate of temperature fluctuations is difficult.

Effect of salt entropy on protein solubility and Hofmeister series

NASA Astrophysics Data System (ADS)

Dahal, Yuba; Schmit, Jeremy

We present a theory of salt effects on protein solubility that accounts for salting-in, salting-out, and the Hofmeister series. We represent protein charge by the first order multipole expansion to include attractive and repulsive electrostatic interactions in the model. Our model also includes non-electrostatic protein-ion interactions, and ion-solvent interactions via an effective solvated ion radius. We find that the finite size of the ions has significant effects on the translational entropy of the salt, which accounts for the changes in the protein solubility. At low salt the dominant effect comes from the entropic cost of confining ions within the aggregate. At high concentrations the salt drives a depletion attraction that favors aggregation. Our theory explains the reversal in the Hofmeister series observed in lysozyme cloud point measurements and semi-quantitatively describes the solubility of lysozyme and chymosin crystals.

An Analysis of the Effects of Chip-groove Geometry on Machining Performance Using Finite Element Methods

NASA Astrophysics Data System (ADS)

Ee, K. C.; Dillon, O. W.; Jawahir, I. S.

2004-06-01

This paper discusses the influence of major chip-groove parameters of a cutting tool on the chip formation process in orthogonal machining using finite element (FE) methods. In the FE formulation, a thermal elastic-viscoplastic material model is used together with a modified Johnson-Cook material law for the flow stress. The chip back-flow angle and the chip up-curl radius are calculated for a range of cutting conditions by varying the chip-groove parameters. The analysis provides greater understanding of the effectiveness of chip-groove configurations and points a way to correlate cutting conditions with tool-wear when machining with a grooved cutting tool.

Effect of pairwise additivity on finite-temperature behavior of classical ideal gas

NASA Astrophysics Data System (ADS)

Shekaari, Ashkan; Jafari, Mahmoud

2018-05-01

Finite-temperature molecular dynamics simulations have been applied to inquire into the effect of pairwise additivity on the behavior of classical ideal gas within the temperature range of T = 250-4000 K via applying a variety of pair potentials and then examining the temperature dependence of a number of thermodynamical properties. Examining the compressibility factor reveals the most deviation from ideal-gas behavior for the Lennard-Jones system mainly due to the presence of both the attractive and repulsive terms. The systems with either attractive or repulsive intermolecular potentials are found to present no resemblance to real gases, but the most similarity to the ideal one as temperature rises.

Effect of Thermal Diffusivity on the Detectability of TNDE

NASA Technical Reports Server (NTRS)

Zhao, Junduo; Chu, Tsuchin; Russell, Samuel S.

2000-01-01

The effect of thermal diffusively on the defect detectability in Carbon/Epoxy composite panels by transient thermography is presented in this paper. A series of Finite Element Models were constructed and analyzed to simulate the transient heat transfer phenomenon during Thermographic Non-destructive Evaluation (TNDE) of composite panels with square defects. Six common carbon fibers were considered. The models were built for composites with various combinations of fibers and volumetric ratios. Finite Element Analysis of these models showed the trends of the detectable range and the maximum thermal contrast versus the thermal diffusivity of various composites. Additionally, the trends of defect size to depth ratio and the thermal contrast has been investigated.

Numerical solution of acoustic scattering by finite perforated elastic plates

PubMed Central

2016-01-01

We present a numerical method to compute the acoustic field scattered by finite perforated elastic plates. A boundary element method is developed to solve the Helmholtz equation subjected to boundary conditions related to the plate vibration. These boundary conditions are recast in terms of the vibration modes of the plate and its porosity, which enables a direct solution procedure. A parametric study is performed for a two-dimensional problem whereby a cantilevered perforated elastic plate scatters sound from a point quadrupole near the free edge. Both elasticity and porosity tend to diminish the scattered sound, in agreement with previous work considering semi-infinite plates. Finite elastic plates are shown to reduce acoustic scattering when excited at high Helmholtz numbers k0 based on the plate length. However, at low k0, finite elastic plates produce only modest reductions or, in cases related to structural resonance, an increase to the scattered sound level relative to the rigid case. Porosity, on the other hand, is shown to be more effective in reducing the radiated sound for low k0. The combined beneficial effects of elasticity and porosity are shown to be effective in reducing the scattered sound for a broader range of k0 for perforated elastic plates. PMID:27274685

Numerical solution of acoustic scattering by finite perforated elastic plates.

PubMed

Cavalieri, A V G; Wolf, W R; Jaworski, J W

2016-04-01

We present a numerical method to compute the acoustic field scattered by finite perforated elastic plates. A boundary element method is developed to solve the Helmholtz equation subjected to boundary conditions related to the plate vibration. These boundary conditions are recast in terms of the vibration modes of the plate and its porosity, which enables a direct solution procedure. A parametric study is performed for a two-dimensional problem whereby a cantilevered perforated elastic plate scatters sound from a point quadrupole near the free edge. Both elasticity and porosity tend to diminish the scattered sound, in agreement with previous work considering semi-infinite plates. Finite elastic plates are shown to reduce acoustic scattering when excited at high Helmholtz numbers k 0 based on the plate length. However, at low k 0 , finite elastic plates produce only modest reductions or, in cases related to structural resonance, an increase to the scattered sound level relative to the rigid case. Porosity, on the other hand, is shown to be more effective in reducing the radiated sound for low k 0 . The combined beneficial effects of elasticity and porosity are shown to be effective in reducing the scattered sound for a broader range of k 0 for perforated elastic plates.

Theoretical predictions for α -decay chains of 118 290 -298Og isotopes using a finite-range nucleon-nucleon interaction

NASA Astrophysics Data System (ADS)

Ismail, M.; Adel, A.

2018-04-01

The α -decay half-lives of the recently synthesized superheavy nuclei (SHN) are investigated by employing the density dependent cluster model. A realistic nucleon-nucleon (NN ) interaction with a finite-range exchange part is used to calculate the microscopic α -nucleus potential in the well-established double-folding model. The calculated potential is then implemented to find both the assault frequency and the penetration probability of the α particle by means of the Wentzel-Kramers-Brillouin (WKB) approximation in combination with the Bohr-Sommerfeld quantization condition. The calculated values of α -decay half-lives of the recently synthesized Og isotopes and its decay products are in good agreement with the experimental data. Moreover, the calculated values of α -decay half-lives have been compared with those values evaluated using other theoretical models, and it was found that our theoretical values match well with their counterparts. The competition between α decay and spontaneous fission is investigated and predictions for possible decay modes for the unknown nuclei 118 290 -298Og are presented. We studied the behavior of the α -decay half-lives of Og isotopes and their decay products as a function of the mass number of the parent nuclei. We found that the behavior of the curves is governed by proton and neutron magic numbers found from previous studies. The proton numbers Z =114 , 116, 108, 106 and the neutron numbers N =172 , 164, 162, 158 show some magic character. We hope that the theoretical prediction of α -decay chains provides a new perspective to experimentalists.

Characterization of the TIP4P-Ew water model: vapor pressure and boiling point.

PubMed

Horn, Hans W; Swope, William C; Pitera, Jed W

2005-11-15

The liquid-vapor-phase equilibrium properties of the previously developed TIP4P-Ew water model have been studied using thermodynamic integration free-energy simulation techniques in the temperature range of 274-400 K. We stress that free-energy results from simulations need to be corrected in order to be compared to the experiment. This is due to the fact that the thermodynamic end states accessible through simulations correspond to fictitious substances (classical rigid liquids and classical rigid ideal gases) while experiments operate on real substances (liquids and real gases, with quantum effects). After applying analytical corrections the vapor pressure curve obtained from simulated free-energy changes is in excellent agreement with the experimental vapor pressure curve. The boiling point of TIP4P-Ew water under ambient pressure is found to be at 370.3+/-1.9 K, about 7 K higher than the boiling point of TIP4P water (363.7+/-5.1 K; from simulations that employ finite range treatment of electrostatic and Lennard-Jones interactions). This is in contrast to the approximately +15 K by which the temperature of the density maximum and the melting temperature of TIP4P-Ew are shifted relative to TIP4P, indicating that the temperature range over which the liquid phase of TIP4P-Ew is stable is narrower than that of TIP4P and resembles more that of real water. The quality of the vapor pressure results highlights the success of TIP4P-Ew in describing the energetic and entropic aspects of intermolecular interactions in liquid water.

Possible Outcomes of Coplanar High-eccentricity Migration: Hot Jupiters, Close-in Super-Earths, and Counter-orbiting Planets

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

Xue, Yuxin; Masuda, Kento; Suto, Yasushi, E-mail: yuxin@utap.phys.s.u-tokyo.ac.jp

We investigate the formation of close-in planets in near-coplanar eccentric hierarchical triple systems via the secular interaction between an inner planet and an outer perturber (Coplanar High-eccentricity Migration; CHEM). We generalize the previous work on the analytical condition for successful CHEM for point masses interacting only through gravity by taking into account the finite mass effect of the inner planet. We find that efficient CHEM requires that the systems should have m {sub 1}≪m {sub 0} and m {sub 1} ≪ m {sub 2}. In addition to the gravity for point masses, we examine the importance of the short-range forces,more » and provide an analytical estimate of the migration timescale. We perform a series of numerical simulations in CHEM for systems consisting of a Sun-like central star, giant gas inner planet, and planetary outer perturber, including the short-range forces and stellar and planetary dissipative tides. We find that most of such systems end up with a tidal disruption; a small fraction of the systems produce prograde hot Jupiters (HJs), but no retrograde HJ. In addition, we extend CHEM to super-Earth mass range, and show that the formation of close-in super-Earths in prograde orbits is also possible. Finally, we carry out CHEM simulation for the observed hierarchical triple and counter-orbiting HJ systems. We find that CHEM can explain a part of the former systems, but it is generally very difficult to reproduce counter-orbiting HJ systems.« less

Analytical Proof That There is no Effect of Confinement or Curvature on the Maxwell-Boltzmann Collision Frequency

NASA Astrophysics Data System (ADS)

Carnio, Brett N.; Elliott, Janet A. W.

2014-08-01

The number of Maxwell-Boltzmann particles that hit a flat wall in infinite space per unit area per unit time is a well-known result. As new applications are arising in micro and nanotechnologies there are a number of situations in which a rarefied gas interacts with either a flat or curved surface in a small confined geometry. Thus, it is necessary to prove that the Maxwell-Boltzmann collision frequency result holds even if a container's dimensions are on the order of nanometers and also that this result is valid for both a finite container with flat walls (a rectangular container) and a finite container with a curved wall (a cylindrical container). An analytical proof confirms that the Maxwell-Boltzmann collision frequencies for either a finite rectangular container or a finite cylindrical container are both equal to the well-known result obtained for a flat wall in infinite space. A major aspect of this paper is the introduction of a mathematical technique to solve the arising infinite sum of integrals whose integrands depend on the Maxwell-Boltzmann velocity distribution.