Matrix product algorithm for stochastic dynamics on networks applied to nonequilibrium Glauber dynamics

NASA Astrophysics Data System (ADS)

Barthel, Thomas; De Bacco, Caterina; Franz, Silvio

2018-01-01

We introduce and apply an efficient method for the precise simulation of stochastic dynamical processes on locally treelike graphs. Networks with cycles are treated in the framework of the cavity method. Such models correspond, for example, to spin-glass systems, Boolean networks, neural networks, or other technological, biological, and social networks. Building upon ideas from quantum many-body theory, our approach is based on a matrix product approximation of the so-called edge messages—conditional probabilities of vertex variable trajectories. Computation costs and accuracy can be tuned by controlling the matrix dimensions of the matrix product edge messages (MPEM) in truncations. In contrast to Monte Carlo simulations, the algorithm has a better error scaling and works for both single instances as well as the thermodynamic limit. We employ it to examine prototypical nonequilibrium Glauber dynamics in the kinetic Ising model. Because of the absence of cancellation effects, observables with small expectation values can be evaluated accurately, allowing for the study of decay processes and temporal correlations.

Coevolution of Glauber-like Ising dynamics and topology

NASA Astrophysics Data System (ADS)

Mandrà, Salvatore; Fortunato, Santo; Castellano, Claudio

2009-11-01

We study the coevolution of a generalized Glauber dynamics for Ising spins with tunable threshold and of the graph topology where the dynamics takes place. This simple coevolution dynamics generates a rich phase diagram in the space of the two parameters of the model, the threshold and the rewiring probability. The diagram displays phase transitions of different types: spin ordering, percolation, and connectedness. At variance with traditional coevolution models, in which all spins of each connected component of the graph have equal value in the stationary state, we find that, for suitable choices of the parameters, the system may converge to a state in which spins of opposite sign coexist in the same component organized in compact clusters of like-signed spins. Mean field calculations enable one to estimate some features of the phase diagram.

Initial eccentricity fluctuations and their relation to higher-order flow harmonics

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

Lacey, R.; Wei,R.; Jia,J.

2011-06-01

Monte Carlo simulations are used to compute the centrality dependence of the participant eccentricities ({var_epsilon}{sub n}) in Au+Au collisions for the two primary models currently employed for eccentricity estimates - the Glauber and the factorized Kharzeev-Levin-Nardi (fKLN) models. They suggest specific testable predictions for the magnitude and centrality dependence of the flow coefficients v{sub n}, respectively measured relative to the event planes {Psi}{sub n}. They also indicate that the ratios of several of these coefficients may provide an additional constraint for distinguishing between the models. Such a constraint could be important for a more precise determination of the specific viscositymore » of the matter produced in heavy ion collisions.« less

Nonclassical Properties of Q-Deformed Superposition Light Field State

NASA Technical Reports Server (NTRS)

Ren, Min; Shenggui, Wang; Ma, Aiqun; Jiang, Zhuohong

1996-01-01

In this paper, the squeezing effect, the bunching effect and the anti-bunching effect of the superposition light field state which involving q-deformation vacuum state and q-Glauber coherent state are studied, the controllable q-parameter of the squeezing effect, the bunching effect and the anti-bunching effect of q-deformed superposition light field state are obtained.

Glaubers Ising chain between two thermostats

NASA Astrophysics Data System (ADS)

Cornu, F.; Hilhorst, H. J.

2017-04-01

We consider a one-dimensional Ising model with N spins, each in contact with two thermostats of distinct temperatures, T 1 and T 2. Under Glauber dynamics the stationary state happens to coincide with the equilibrium state at an effective intermediate temperature T≤ft({{T}1},{{T}2}\\right) . The system nevertheless carries a nontrivial energy current between the thermostats. By means of the fermionization technique, for a chain initially in equilibrium at an arbitrary temperature T 0 we calculate the Fourier transform of the probability P≤ft(Q;τ \\right) for the time-integrated energy current Q during a finite time interval τ. In the long time limit we determine the corresponding generating function for the cumulants per site and unit of time, {< {{Q}n}>\\text{c}}/(Nτ ) , and explicitly give those with n  =  1, 2, 3, 4. We exhibit various phenomena in specific regimes: kinetic mean-field effects when one thermostat flips any spin less often than the other one, as well as dissipation towards a thermostat at zero temperature. Moreover, when the system size N goes to infinity while the effective temperature T vanishes, the cumulants of Q per unit of time grow linearly with N and are equal to those of a random walk process. In two adequate scaling regimes involving T and N we exhibit the dependence of the first correction upon the ratio of the spin-spin correlation length ξ (T) and the size N.

Measurement of the centrality dependence of the charged-particle pseudorapidity distribution in proton–lead collisions at $$\\sqrt{s_{_\\text {NN}}} = 5.02$$ TeV with the ATLAS detector

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

Aad, G.; Abajyan, T.; Abbott, B.

2016-04-01

The centrality dependence of the mean charged-particle multiplicity as a function of pseudorapidity is measured in approximately 1 μb -1 of proton–lead collisions at a nucleon–nucleon centre-of-mass energy ofmore » $$\\sqrt{s_{_\\text {NN}}} = 5.02$$ TeV using the ATLAS detector at the Large Hadron Collider. Charged particles with absolute pseudorapidity less than 2.7 are reconstructed using the ATLAS pixel detector. The ρ + Ρb collision centrality is characterised by the total transverse energy measured in the Pb-going direction of the forward calorimeter. The charged-particle pseudorapidity distributions are found to vary strongly with centrality, with an increasing asymmetry between the proton-going and Pb-going directions as the collisions become more central. Three different estimations of the number of nucleons participating in the ρ + Ρb collision have been carried out using the Glauber model as well as two Glauber–Gribov inspired extensions to the Glauber model. In conclusion, charged-particle multiplicities per participant pair are found to vary differently for these three models, highlighting the importance of including colour fluctuations in nucleon–nucleon collisions in the modelling of the initial state of ρ + Ρb collisions.« less

Parametric control in coupled fermionic oscillators

NASA Astrophysics Data System (ADS)

Ghosh, Arnab

2014-10-01

A simple model of parametric coupling between two fermionic oscillators is considered. Statistical properties, in particular the mean and variance of quanta for a single mode, are described by means of a time-dependent reduced density operator for the system and the associated P function. The density operator for fermionic fields as introduced by Cahill and Glauber [K. E. Cahill and R. J. Glauber, Phys. Rev. A 59, 1538 (1999), 10.1103/PhysRevA.59.1538] thus can be shown to provide a quantum mechanical description of the fields closely resembling their bosonic counterpart. In doing so, special emphasis is given to population trapping, and quantum control over the states of the system.

On the dynamics of the Ising model of cooperative phenomena

PubMed Central

Montroll, Elliott W.

1981-01-01

A two-dimensional (and to some degree three-dimensional) version of Glauber's one-dimensional spin relaxation model is described. The model is constructed to yield the Ising model of cooperative phenomena at equilibrium. A complete hierarchy of differential equations for multispin correlation functions is constructed. Some remarks are made concerning the solution of them for the initial value problem of determining the relaxation of an initial set of spin distributions. PMID:16592955

Study of p-4He total reaction cross-section using Glauber and Coulomb-modified Glauber models

NASA Astrophysics Data System (ADS)

Tag El-Din, Ibrahim M. A.; Taha, M. M.; Hassan, Samia S. A.

2014-02-01

The total nuclear reaction cross-section σR for p-4He in the energy range from 25 MeV to 1000 MeV is calculated within Glauber and Coulomb-modified Glauber models. The Coulomb-modified Glauber model (CMGM) is introduced via modification of the Coulomb trajectory of the projectile from a straight line, and calculation of the effective radius of interaction. The effects of in-medium nucleon-nucleon (NN) total cross-section, phase variation, high order momentum transfer component of nucleon-nucleon elastic scattering amplitude and Pauli blocking are studied. It is pointed out that the phase variation of the nucleon-nucleon amplitude plays a significant role in describing σR with γ = -1.6 fm2 at in-medium nuclear density ϱ = 0 and γ = -2 fm2 at ϱ = 0.17 fm-3 in the whole energy range. A remarkable fit to the available experimental data is obtained by invoking Pauli blocking and high order momentum transfer of nucleon-nucleon (NN) elastic scattering amplitude for Ep < 100 MeV.

Glauber gluons and multiple parton interactions

NASA Astrophysics Data System (ADS)

Gaunt, Jonathan R.

2014-07-01

We show that for hadronic transverse energy E T in hadron-hadron collisions, the classic Collins-Soper-Sterman (CSS) argument for the cancellation of Glauber gluons breaks down at the level of two Glauber gluons exchanged between the spectators. Through an argument that relates the diagrams with these Glauber gluons to events containing additional soft scatterings, we suggest that this failure of the CSS cancellation actually corresponds to a failure of the `standard' factorisation formula with hard, soft and collinear functions to describe E T at leading power. This is because the observable receives a leading power contribution from multiple parton interaction (or spectator-spectator Glauber) processes. We also suggest that the same argument can be used to show that a whole class of observables, which we refer to as MPI sensitive observables, do not obey the standard factorisation at leading power. MPI sensitive observables are observables whose distributions in hadron-hadron collisions are disrupted strongly by the presence of multiple parton interactions (MPI) in the event. Examples of further MPI sensitive observables include the beam thrust B {/a, b +} and transverse thrust.

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

Rothstein, Ira Z.; Stewart, Iain W.

Starting with QCD, we derive an effective field theory description for forward scattering and factorization violation as part of the soft-collinear effective field theory (SCET) for high energy scattering. These phenomena are mediated by long distance Glauber gluon exchanges, which are static in time, localized in the longitudinal distance, and act as a kernel for forward scattering where |t| << s. In hard scattering, Glauber gluons can induce corrections which invalidate factorization. With SCET, Glauber exchange graphs can be calculated explicitly, and are distinct from graphs involving soft, collinear, or ultrasoft gluons. We derive a complete basis of operators whichmore » describe the leading power effects of Glauber exchange. Key ingredients include regulating light-cone rapidity singularities and subtractions which prevent double counting. Our results include a novel all orders gauge invariant pure glue soft operator which appears between two collinear rapidity sectors. The 1-gluon Feynman rule for the soft operator coincides with the Lipatov vertex, but it also contributes to emissions with ≥ 2 soft gluons. Our Glauber operator basis is derived using tree level and one-loop matching calculations from full QCD to both SCET II and SCET I. The one-loop amplitude’s rapidity renormalization involves mixing of color octet operators and yields gluon Reggeization at the amplitude level. The rapidity renormalization group equation for the leading soft and collinear functions in the forward scattering cross section are each given by the BFKL equation. Various properties of Glauber gluon exchange in the context of both forward scattering and hard scattering factorization are described. For example, we derive an explicit rule for when eikonalization is valid, and provide a direct connection to the picture of multiple Wilson lines crossing a shockwave. In hard scattering operators Glauber subtractions for soft and collinear loop diagrams ensure that we are not sensitive to the directions for soft and collinear Wilson lines. Conversely, certain Glauber interactions can be absorbed into these soft and collinear Wilson lines by taking them to be in specific directions. Finally, we also discuss criteria for factorization violation.« less

An effective field theory for forward scattering and factorization violation

DOE PAGES

Rothstein, Ira Z.; Stewart, Iain W.

2016-08-03

Starting with QCD, we derive an effective field theory description for forward scattering and factorization violation as part of the soft-collinear effective field theory (SCET) for high energy scattering. These phenomena are mediated by long distance Glauber gluon exchanges, which are static in time, localized in the longitudinal distance, and act as a kernel for forward scattering where |t| << s. In hard scattering, Glauber gluons can induce corrections which invalidate factorization. With SCET, Glauber exchange graphs can be calculated explicitly, and are distinct from graphs involving soft, collinear, or ultrasoft gluons. We derive a complete basis of operators whichmore » describe the leading power effects of Glauber exchange. Key ingredients include regulating light-cone rapidity singularities and subtractions which prevent double counting. Our results include a novel all orders gauge invariant pure glue soft operator which appears between two collinear rapidity sectors. The 1-gluon Feynman rule for the soft operator coincides with the Lipatov vertex, but it also contributes to emissions with ≥ 2 soft gluons. Our Glauber operator basis is derived using tree level and one-loop matching calculations from full QCD to both SCET II and SCET I. The one-loop amplitude’s rapidity renormalization involves mixing of color octet operators and yields gluon Reggeization at the amplitude level. The rapidity renormalization group equation for the leading soft and collinear functions in the forward scattering cross section are each given by the BFKL equation. Various properties of Glauber gluon exchange in the context of both forward scattering and hard scattering factorization are described. For example, we derive an explicit rule for when eikonalization is valid, and provide a direct connection to the picture of multiple Wilson lines crossing a shockwave. In hard scattering operators Glauber subtractions for soft and collinear loop diagrams ensure that we are not sensitive to the directions for soft and collinear Wilson lines. Conversely, certain Glauber interactions can be absorbed into these soft and collinear Wilson lines by taking them to be in specific directions. Finally, we also discuss criteria for factorization violation.« less

Dissipative effects in multi-component systems

NASA Astrophysics Data System (ADS)

El, Andrej; Bouras, Ioannis; Xu, Zhe; Greiner, Carsten

2013-05-01

Using a smooth initial condition of Glauber type in the kinetic transport algorithm BAMPS we investigate differences in behavior of a multi-component system and its one-component equivalent with the same η/s value. Flow harmonic coefficients v2 and v4 are shown to have very low sensitivity to the details of microscopic interactions in the system.

Atomic Schroedinger cat-like states

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

Enriquez-Flores, Marco; Rosas-Ortiz, Oscar; Departamento de Fisica, Cinvestav, A.P. 14-740, Mexico D.F. 07000

2010-10-11

After a short overview of the basic mathematical structure of quantum mechanics we analyze the Schroedinger's antinomic example of a living and dead cat mixed in equal parts. Superpositions of Glauber kets are shown to approximate such macroscopic states. Then, two-level atomic states are used to construct mesoscopic kittens as appropriate linear combinations of angular momentum eigenkets for j = 1/2. Some general comments close the present contribution.

User’s Guide and History of ANFO (Ammonium Nitrate/Fuel Oil) as a Nuclear Weapons Effect Simulation Explosive

DTIC Science & Technology

1983-03-31

SHOCK SIMULATION 1659 - Amonium nitrate first prepared by Glauber 1867 - Swedish patent granted to Ohlsson and Norrbein for use of ammonium nitrate ...neceessay aqd identify by block number) Ammonium Nitrate -Fuel Oil Aiiblast - . ANFO . Craters High Explosives Explosive Charge Construction * Nuclear...utilizatilon of ANFO for future W FJOAMw. 1473- EDIT00 or INOW ,Sois 0"LTZ"" DO t 473 UNCLASSIFIED SECUM"TY CLASSIFfCATIOl# OF THIS PAGEI(Whonf D Ia LI L

Coherent vector meson photoproduction from deuterium at intermediate energies

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

Rogers, T.C.; Strikman, M.I.; Sargsian, M.M.

2006-04-15

We analyze the cross section for vector meson photoproduction off a deuteron for the intermediate range of photon energies starting at a few giga-electron-volts above the threshold and higher. We reproduce the steps in the derivation of the conventional nonrelativistic Glauber expression based on an effective diagrammatic method while making corrections for Fermi motion and intermediate-energy kinematic effects. We show that, for intermediate-energy vector meson production, the usual Glauber factorization breaks down, and we derive corrections to the usual Glauber method to linear order in longitudinal nucleon momentum. The purpose of our analysis is to establish methods for probing interestingmore » physics in the production mechanism for {phi} mesons and heavier vector mesons. We demonstrate how neglecting the breakdown of Glauber factorization can lead to errors in measurements of basic cross sections extracted from nuclear data.« less

Glauber-theory approach for molecular vibrational excitations

NASA Technical Reports Server (NTRS)

Chang, T. N.; Poe, R. T.; Ray, P.

1973-01-01

Molecular vibrational excitations by charged-particle impact are investigated within the Glauber-theory approach. Theoretical results for electron-H2 scattering give good agreement with experimental data. We study the physical effects responsible for the structures in the differential cross section.

Applications of the Coulomb-modified Glauber approximation to n = 2 and n = 3 excitation of hydrogenlike ions by incident electrons. II

NASA Technical Reports Server (NTRS)

Thomas, B. K.

1978-01-01

The Coulomb-modified form of the Glauber approximation is applied to the n = 2 and n = 3 excitation of hydrogenlike ions by incident electrons for various values of the target-ion nuclear charge Z sub n. The properly computed e(-)-He(+) 1s - 2s,2p Glauber predictions, including appropriate cascade effects, are compared with available experiment. The Z sub n dependence of the scaled integrated (over scattering angles) cross section is discussed, including the limit as Z sub n approaches infinity.

Nondiffracting wave beams in non-Hermitian Glauber-Fock lattice

NASA Astrophysics Data System (ADS)

Oztas, Z.

2018-05-01

We theoretically study non-Hermitian Glauber-Fock lattice with nonuniform hopping. We show how to engineer this lattice to get nondiffracting wave beams and find an exact analytical solution to nondiffracting localized waves. The exceptional points in the energy spectrum are also analyzed.

Resolving the B →K π puzzle by Glauber-gluon effects

NASA Astrophysics Data System (ADS)

Liu, Xin; Li, Hsiang-nan; Xiao, Zhen-Jun

2016-01-01

We extend the perturbative QCD formalism including the Glauber gluons, which has been shown to accommodate the measured B →π π and B0→ρ0ρ0 branching ratios simultaneously, to the analysis of the B →K π and K K ¯ decays. It is observed that the convolution of the universal Glauber phase factors with the transverse-momentum-dependent kaon wave function reveals weaker (stronger) Glauber effects than in the pion (ρ meson) case as expected. Our predictions for the branching ratios and the direct CP asymmetries of the B →K π and K K ¯ modes at next-to-leading-order accuracy agree well with data. In particular, the predicted difference of the B±→K±π0 and B0→K±π∓ direct CP asymmetries, Δ AK π≡ACPdir(K±π0)[0.021 ±0.016 ]-ACPdir(K±π∓)[-0.081 ±0.017 ]=0.102 ±0.023 , is consistent with the measured Δ AK π=0.119 ±0.022 within uncertainties, and the known B →K π puzzle is resolved. The above B →π π , K π and K K ¯ studies confirm that the Glauber gluons associated with pseudo-Nambu-Goldstone bosons enhance the color-suppressed tree amplitude significantly, but have a small impact on other topological amplitudes.

Nonclassical light revealed by the joint statistics of simultaneous measurements.

PubMed

Luis, Alfredo

2016-04-15

Nonclassicality cannot be a single-observable property, since the statistics of any quantum observable is compatible with classical physics. We develop a general procedure to reveal nonclassical behavior of light states from the joint statistics arising in the practical measurement of multiple observables. Beside embracing previous approaches, this protocol can disclose nonclassical features for standard examples of classical-like behavior, such as SU(2) and Glauber coherent states. When combined with other criteria, this would imply that every light state is nonclassical.

Study of the total reaction cross section via QMD

NASA Astrophysics Data System (ADS)

Yang, Lin-Meng; Guo, Wen-Jun; Zhang, Fan; Ni, Sheng

2013-10-01

This paper presents a new empirical formula to calculate the average nucleon-nucleon (N-N) collision number for the total reaction cross sections (σR). Based on the initial average N-N collision number calculated by quantum molecular dynamics (QMD), quantum correction and Coulomb correction are taken into account within it. The average N-N collision number is calculated by this empirical formula. The total reaction cross sections are obtained within the framework of the Glauber theory. σR of 23Al+12C, 24Al+12C, 25 Al+12C, 26Al+12C and 27Al+12C are calculated in the range of low energy. We also calculate the σR of 27Al+12C with different incident energies. The calculated σR are compared with the experimental data and the results of Glauber theory including the σR of both spherical nuclear and deformed nuclear. It is seen that the calculated σR are larger than σR of spherical nuclear and smaller than σR of deformed nuclear, whereas the results agree well with the experimental data in low-energy range.

Effect of deformation on structure and reaction of Al isotopes using relativistic mean field densities in Glauber model

NASA Astrophysics Data System (ADS)

Panda, R. N.; Sharma, Mahesh K.; Panigrahi, M.; Patra, S. K.

2018-02-01

We have examined the ground state properties of Al isotopes towards the proton rich side from A = 22 to 28 using the well known relativistic mean field (RMF) formalism with NLSH parameter set. The calculated results are compared with the predictions of finite range droplet model and experimental data. The calculation is extended to estimate the reaction cross section for ^{22-28} Al as projectiles with ^{12} C as target. The incident energy of the projectiles are taken as 950 MeV/nucleon, for both spherical and deformed RMF densities as inputs in the Glauber model approximation. Further investigation of enhanced values of total reaction cross section for ^{23} Al and ^{24} Al in comparison to rest of the isotopes indicates the proton skin structure of these isotopes. Specifically, the large value of root mean square radius and total reaction cross section of ^{23} Al could not be ruled out the formation of proton halo.

Effect of deformation on structure and reaction of Al isotopes using relativistic mean field densities in Glauber model

NASA Astrophysics Data System (ADS)

Panda, R. N.; Sharma, Mahesh K.; Panigrahi, M.; Patra, S. K.

2018-06-01

We have examined the ground state properties of Al isotopes towards the proton rich side from A = 22 to 28 using the well known relativistic mean field (RMF) formalism with NLSH parameter set. The calculated results are compared with the predictions of finite range droplet model and experimental data. The calculation is extended to estimate the reaction cross section for ^{22-28}Al as projectiles with ^{12}C as target. The incident energy of the projectiles are taken as 950 MeV/nucleon, for both spherical and deformed RMF densities as inputs in the Glauber model approximation. Further investigation of enhanced values of total reaction cross section for ^{23}Al and ^{24}Al in comparison to rest of the isotopes indicates the proton skin structure of these isotopes. Specifically, the large value of root mean square radius and total reaction cross section of ^{23}Al could not be ruled out the formation of proton halo.

Nonclassical features of trimodal excited coherent Greenberger - Horne - Zeilinger(GHZ) - type state

NASA Astrophysics Data System (ADS)

Merlin, J.; Ahmed, A. B. M.; Mohammed, S. Naina

2017-06-01

We examine the influence of photon excitation on each mode of the Glauber coherent GHZ type tripartite state. Concurrence is adopted as entanglement measure between bipartite entangled state. The pairwise concurrence is calculated and used as a quantifier of intermodal entanglement. The entanglement distribution among three modes is investigated using tangle as a measure and the residual entanglement is also calculated. The effect of the photon addition process on the quadrature squeezing is investigated. The higher order squeezing capacity of the photon addition process is also shown.

Role of initial correlation in coarsening of a ferromagnet

NASA Astrophysics Data System (ADS)

Chakraborty, Saikat; Das, Subir K.

2015-06-01

We study the dynamics of ordering in ferromagnets via Monte Carlo simulations of the Ising model, employing the Glauber spin-flip mechanism, in space dimensions d = 2 and 3, on square and simple cubic lattices. Results for the persistence probability and the domain growth are discussed for quenches to various temperatures (Tf) below the critical one (Tc), from different initial temperatures Ti ≥ Tc. In long time limit, for Ti>Tc, the persistence probability exhibits power-law decay with exponents θ ≃ 0.22 and ≃ 0.18 in d = 2 and 3, respectively. For finite Ti, the early time behavior is a different power-law whose life-time diverges and exponent decreases as Ti → Tc. The two steps are connected via power-law as a function of domain length and the crossover to the second step occurs when this characteristic length exceeds the equilibrium correlation length at T = Ti. Ti = Tc is expected to provide a new universality class for which we obtain θ ≡ θc ≃ 0.035 in d = 2 and ≃0.105 in d = 3. The time dependence of the average domain size ℓ, however, is observed to be rather insensitive to the choice of Ti.

Ising model simulation in directed lattices and networks

NASA Astrophysics Data System (ADS)

Lima, F. W. S.; Stauffer, D.

2006-01-01

On directed lattices, with half as many neighbours as in the usual undirected lattices, the Ising model does not seem to show a spontaneous magnetisation, at least for lower dimensions. Instead, the decay time for flipping of the magnetisation follows an Arrhenius law on the square and simple cubic lattice. On directed Barabási-Albert networks with two and seven neighbours selected by each added site, Metropolis and Glauber algorithms give similar results, while for Wolff cluster flipping the magnetisation decays exponentially with time.

Toward centrality determination at NICA/MPD

NASA Astrophysics Data System (ADS)

Galoyan, A. S.; Uzhinsky, V. V.

2017-03-01

Geometrical properties of nucleus-nucleus interactions at various centralities are calculated for the NICA energy range. A modified version of the Glauber Monte Carlo simulation code has been used for the calculations. It is shown that the geometrical properties of nucleus-nucleus interactions at the energies 5 - 10 GeV (NICA/MPD) and at energy 200 GeV (RHIC) are quite close to each other. A possible determination of centrality at NICA/MPD experiment using calculations of various Monte Carlo event generators are considered.

Time-dependent interaction between a two-level atom and a su(1,1) Lie algebra quantum system

NASA Astrophysics Data System (ADS)

Abdalla, M. Sebaweh; Khalil, E. M.; Obada, A.-S. F.

2017-06-01

The problem of the interaction between a two-level atom and a two-mode field in the parametric amplifier-type is considered. A similar problem appears in an ion trapped in a two-dimensional trap. The problem is transformed into an interaction governed by su(1,1) Lie algebraic operators with phase and coupling parameter depending on time. Under an integrability condition, that relates phase and coupling, a solution to the wavefunction is obtained using the Schrödinger equation. The effects of the functional dependence of the coupling and the initial state of the two-level atom on atomic inversion, the degree of entanglement, the fidelity and the Glauber second-order correlation function are investigated. It is shown that the acceleration term plays an important role in controlling the function behavior of the considered quantities.

Reaction dynamics of {sup 34-38}Mg projectile with carbon target using Glauber model

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

Shama, Mahesh K., E-mail: maheshphy82@gmail.com; Department of Applied Sciences, Chandigarh Engineering College, Landran Mohali-140307; Panda, R. N.

2015-08-28

We have studied nuclear reaction cross-sections for {sup 34-38}Mg isotopes as projectile with {sup 12}C target at projectile energy 240AMeV using Glauber model with the conjunction of densities from relativistic mean filed formalism. We found good agreement with the available experimental data. The halo status of {sup 37}Mg is also investigated.

Which Q-analogue of the squeezed oscillator?

NASA Technical Reports Server (NTRS)

Solomon, Allan I.

1993-01-01

The noise (variance squared) of a component of the electromagnetic field - considered as a quantum oscillator - in the vacuum is equal to one half, in appropriate units (taking Planck's constant and the mass and frequency of the oscillator all equal to 1). A practical definition of a squeezed state is one for which the noise is less than the vacuum value - and the amount of squeezing is determined by the appropriate ratio. Thus the usual coherent (Glauber) states are not squeezed, as they produce the same variance as the vacuum. However, it is not difficult to define states analogous to coherent states which do have this noise-reducing effect. In fact, they are coherent states in the more general group sense but with respect to groups other than the Heisenberg-Weyl Group which defines the Glauber states. The original, conventional squeezed state in quantum optics is that associated with the group SU(1,1). Just as the annihilation operator a of a single photon mode (and its hermitian conjugate a, the creation operator) generates the Heisenberg Weyl algebra, so the pair-photon operator a(sup 2) and its conjugate generates the algebra of the group SU(1,1). Another viewpoint, more productive from the calculational stance, is to note that the automorphism group of the Heisenberg-Weyl algebra is SU(1,1). Needless to say, each of these viewpoints generalizes differently to the quantum group context. Both are discussed. The following topics are addressed: conventional coherent and squeezed states; eigenstate definitions; exponential definitions; algebra (group) definitions; automorphism group definition; example: signal-to-noise ratio; q-coherent and q-squeezed states; M and P q-bosons; eigenstate definitions; exponential definitions; algebra (q-group) definitions; and automorphism q-group definition.

Direct photon elliptic flow at energies available at the BNL Relativistic Heavy Ion Collider and the CERN Large Hadron Collider

NASA Astrophysics Data System (ADS)

Kim, Young-Min; Lee, Chang-Hwan; Teaney, Derek; Zahed, Ismail

2017-07-01

We use an event-by-event hydrodynamical description of the heavy-ion collision process with Glauber initial conditions to calculate the thermal emission of photons. The photon rates in the hadronic phase follow from a spectral function approach and a density expansion, while in the partonic phase they follow from the Arnold-Moore-Yaffe (AMY) perturbative rates. The calculated photon elliptic flows are lower than those reported recently by both the ALICE and PHENIX collaborations.

Centrality and multiparticle production in ultrarelativistic nuclear collisions

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

Drozhzhova, T. A.; Kovalenko, V. N.; Seryakov, A. Yu.

2016-09-15

A critical analysis of methods for selecting central events in high-energy proton–nucleus (pA) and nucleus–nucleus (AA) collisions is presented. A sample of event classes in which background fluctuations associated with the dispersion of the impact parameter of each event or the number of participant nucleons are minimal is examined. At the SPS and LHC energies, the numbers of nucleon–nucleon collisions are estimated with the aid of the Monte Carlo event generators HIJING and AMPT, which take into account energy–momentum conservation, and on the basis of a non-Glauber model involving string fusion and a modified Glauber model. The results obtained inmore » this way demonstrate the need for revising the extensively used application of the Glauber model in normalizing multiplicity yields in experimental data on pA and AA collisions in the soft region of the spectrum.« less

Dynamic control of magnetic nanowires by light-induced domain-wall kickoffs

NASA Astrophysics Data System (ADS)

Heintze, Eric; El Hallak, Fadi; Clauß, Conrad; Rettori, Angelo; Pini, Maria Gloria; Totti, Federico; Dressel, Martin; Bogani, Lapo

2013-03-01

Controlling the speed at which systems evolve is a challenge shared by all disciplines, and otherwise unrelated areas use common theoretical frameworks towards this goal. A particularly widespread model is Glauber dynamics, which describes the time evolution of the Ising model and can be applied to any binary system. Here we show, using molecular nanowires under irradiation, that Glauber dynamics can be controlled by a novel domain-wall kickoff mechanism. In contrast to known processes, the kickoff has unambiguous fingerprints, slowing down the spin-flip attempt rate by several orders of magnitude, and following a scaling law. The required irradiance is very low, a substantial improvement over present methods of magneto-optical switching. These results provide a new way to control and study stochastic dynamic processes. Being general for Glauber dynamics, they can be extended to different kinds of magnetic nanowires and to numerous fields, ranging from social evolution to neural networks and chemical reactivity.

Quantum non-Gaussianity and quantification of nonclassicality

NASA Astrophysics Data System (ADS)

Kühn, B.; Vogel, W.

2018-05-01

The algebraic quantification of nonclassicality, which naturally arises from the quantum superposition principle, is related to properties of regular nonclassicality quasiprobabilities. The latter are obtained by non-Gaussian filtering of the Glauber-Sudarshan P function. They yield lower bounds for the degree of nonclassicality. We also derive bounds for convex combinations of Gaussian states for certifying quantum non-Gaussianity directly from the experimentally accessible nonclassicality quasiprobabilities. Other quantum-state representations, such as s -parametrized quasiprobabilities, insufficiently indicate or even fail to directly uncover detailed information on the properties of quantum states. As an example, our approach is applied to multi-photon-added squeezed vacuum states.

Interface motion in a two-dimensional Ising model with a field

NASA Astrophysics Data System (ADS)

Devillard, Pierre

1991-01-01

We determine by Monte Carlo simulations the width of an interface between the stable phase and the metastable phase in a two-dimensional Ising model with a magnetic field, in the case of nonconversed order parameter (Glauber dynamics). At zero temperature, the width increases as t β with β-1/3, as predicted by earlier theories. As temperature increases, the value of the effective exponent β that we measure decreases toward the value 1/4, which is the value in the absence of magnetic field.

QCD matter thermalization at the RHIC and the LHC

NASA Astrophysics Data System (ADS)

Xu, Zhe; Cheng, Luan; El, Andrej; Gallmeister, Kai; Greiner, Carsten

2009-06-01

Employing the perturbative QCD inspired parton cascade, we investigate kinetic and chemical equilibration of the partonic matter created in central heavy ion collisions at RHIC and LHC energies. Two types of initial conditions are chosen. One is generated by the model of wounded nucleons using the PYTHIA event generator and Glauber geometry. Another is considered as a color glass condensate. We show that kinetic equilibration is almost independent of the chosen initial conditions, whereas there is a sensitive dependence for chemical equilibration. The time scale of thermalization lies between 1 and 1.5 fm/c. The final parton transverse energy obtained from BAMPS calculations is compared with the RHIC data and is estimated for the LHC energy.

Phase ordering dynamics of reconstituting particles

NASA Astrophysics Data System (ADS)

Albarracín, F. A. Gómez; Rosales, H. D.; Grynberg, M. D.

2017-06-01

We consider the large-time dynamics of one-dimensional processes involving adsorption and desorption of extended hard-core particles (dimers, trimers, ..., k -mers), while interacting through their constituent monomers. Desorption can occur whether or not these latter adsorbed together, which leads to reconstitution of k -mers and the appearance of sectors of motion with nonlocal conservation laws for k ≥3 . Dynamic exponents of the sector including the empty chain are evaluated by finite-size scaling analyses of the relaxation times embodied in the spectral gaps of evolution operators. For attractive interactions it is found that in the low-temperature limit such time scales converge to those of the Glauber dynamics, thus suggesting a diffusive universality class for k ≥2 . This is also tested by simulated quenches down to T =0 , where a common scaling function emerges. By contrast, under repulsive interactions the low-temperature dynamics is characterized by metastable states which decay subdiffusively to a highly degenerate and partially jammed phase.

Effect of an anisotropic escape mechanism on elliptic flow in relativistic heavy-ion collisions

NASA Astrophysics Data System (ADS)

Jaiswal, Amaresh; Bhaduri, Partha Pratim

2018-04-01

We study the effect of an anisotropic escape mechanism on elliptic flow in relativistic heavy-ion collisions. We use the Glauber model to generate initial conditions and ignore hydrodynamic expansion in the transverse direction. We employ the Beer-Lambert law to allow for the transmittance of produced hadrons in the medium and calculate the anisotropy generated due to the suppression of particles traversing through the medium. To separate non-flow contribution due to surface bias effects, we ignore hydrodynamic expansion in the transverse direction and consider purely longitudinal boost-invariant expansion. We calculate the transverse momentum dependence of elliptic flow, generated from an anisotropic escape mechanism due to surface bias effects, for various centralities in √{sN N}=200 GeV Au +Au collisions at the Relativistic Heavy Ion Collider and √{sN N}=2.76 TeV Pb +Pb collisions at the Large Hadron Collider. We find that the surface bias effects make a sizable contribution to the total elliptic flow observed in heavy-ion collisions, indicating that the viscosity of the QCD matter extracted from hydrodynamic simulations may be underestimated.

Dynamic phase transitions and dynamic phase diagrams of the Blume-Emery-Griffiths model in an oscillating field: the effective-field theory based on the Glauber-type stochastic dynamics

NASA Astrophysics Data System (ADS)

Ertaş, Mehmet; Keskin, Mustafa

2015-06-01

Using the effective-field theory based on the Glauber-type stochastic dynamics (DEFT), we investigate dynamic phase transitions and dynamic phase diagrams of the Blume-Emery-Griffiths model under an oscillating magnetic field. We presented the dynamic phase diagrams in (T/J, h0/J), (D/J, T/J) and (K/J, T/J) planes, where T, h0, D, K and z are the temperature, magnetic field amplitude, crystal-field interaction, biquadratic interaction and the coordination number. The dynamic phase diagrams exhibit several ordered phases, coexistence phase regions and special critical points, as well as re-entrant behavior depending on interaction parameters. We also compare and discuss the results with the results of the same system within the mean-field theory based on the Glauber-type stochastic dynamics and find that some of the dynamic first-order phase lines and special dynamic critical points disappeared in the DEFT calculation.

Nonclassical states of light with a smooth P function

NASA Astrophysics Data System (ADS)

Damanet, François; Kübler, Jonas; Martin, John; Braun, Daniel

2018-02-01

There is a common understanding in quantum optics that nonclassical states of light are states that do not have a positive semidefinite and sufficiently regular Glauber-Sudarshan P function. Almost all known nonclassical states have P functions that are highly irregular, which makes working with them difficult and direct experimental reconstruction impossible. Here we introduce classes of nonclassical states with regular, non-positive-definite P functions. They are constructed by "puncturing" regular smooth positive P functions with negative Dirac-δ peaks or other sufficiently narrow smooth negative functions. We determine the parameter ranges for which such punctures are possible without losing the positivity of the state, the regimes yielding antibunching of light, and the expressions of the Wigner functions for all investigated punctured states. Finally, we propose some possible experimental realizations of such states.

Optical-model abrasion cross sections for high-energy heavy ions

NASA Technical Reports Server (NTRS)

Townsend, L. W.

1981-01-01

Within the context of eikonal scattering theory, a generalized optical model potential approximation to the nucleus-nucleus multiple scattering series is used in an abrasion-ablation collision model to predict abrasion cross sections for relativistic projectile heavy ions. Unlike the optical limit of Glauber theory, which cannot be used for very light nuclei, the abrasion formalism is valid for any projectile target combination at any incident kinetic energy for which eikonal scattering theory can be utilized. Results are compared with experimental results and predictions from Glauber theory.

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.

Interferometry correlations in central p+Pb collisions

NASA Astrophysics Data System (ADS)

Bożek, Piotr; Bysiak, Sebastian

2018-01-01

We present results on interferometry correlations for pions emitted in central p+Pb collisions at √{s_{NN}}=5.02 TeV in a 3+1-dimensional viscous hydrodynamic model with initial conditions from the Glauber Monte Carlo model. The correlation function is calculated as a function of the pion pair rapidity. The extracted interferometry radii show a weak rapidity dependence, reflecting the lack of boost invariance of the pion distribution. A cross term between the out and long directions is found to be nonzero. The results obtained in the hydrodynamic model are in fair agreement with recent data of the ATLAS Collaboration.

Examination of the 22C radius determination with interaction cross sections

NASA Astrophysics Data System (ADS)

Nagahisa, T.; Horiuchi, W.

2018-05-01

A nuclear radius of 22C is investigated with the total reaction cross sections at medium- to high-incident energies in order to resolve the radius puzzle in which two recent interaction cross-section measurements using 1H and 12C targets show the quite different radii. The cross sections of 22C are calculated consistently for these target nuclei within a reliable microscopic framework, the Glauber theory. To describe appropriately such a reaction involving a spatially extended nucleus, the multiple scattering processes within the Glauber theory are fully taken into account, that is, the multidimensional integration in the Glauber amplitude is evaluated using a Monte Carlo technique without recourse to the optical-limit approximation. We discuss the sensitivity of the spatially extended halo tail to the total reaction cross sections. The root-mean-square matter radius obtained in this study is consistent with that extracted from the recent cross-section measurement on 12C target. We show that the simultaneous reproduction of the two recent measured cross sections is not feasible within this framework.

Glauber exchange amplitudes. [electron scattering from H atoms

NASA Technical Reports Server (NTRS)

Madan, R. N.

1975-01-01

The extrapolation method of Ochkur, valid for intermediate energies (about 50 eV), is applied to the exchange form of the Glauber amplitudes. In the case of elastic scattering of electrons from hydrogen atoms at 54.4 Ev the 'post' and 'prior' forms of the exchange amplitude are equivalent, whereas for the case of inelastic scattering there is a minute discrepancy between the two forms of the amplitude. The results are compared with the close-coupling calculation. The investigation is expected to be useful for optically forbidden exchange-allowed transitions due to electron impact at intermediate energies.

Charge-changing cross-section measurements of C-1612 at around 45 A MeV and development of a Glauber model for incident energies 10 A -2100 A MeV

NASA Astrophysics Data System (ADS)

Tran, D. T.; Ong, H. J.; Nguyen, T. T.; Tanihata, I.; Aoi, N.; Ayyad, Y.; Chan, P. Y.; Fukuda, M.; Hashimoto, T.; Hoang, T. H.; Ideguchi, E.; Inoue, A.; Kawabata, T.; Khiem, L. H.; Lin, W. P.; Matsuta, K.; Mihara, M.; Momota, S.; Nagae, D.; Nguyen, N. D.; Nishimura, D.; Ozawa, A.; Ren, P. P.; Sakaguchi, H.; Tanaka, J.; Takechi, M.; Terashima, S.; Wada, R.; Yamamoto, T.; RCNP-E372 Collaboration

2016-12-01

We have measured for the first time the charge-changing cross sections (σCC) of C-1612 on a 12C target at energies below 100 A MeV. To analyze these low-energy data, we have developed a finite-range Glauber model with a global parameter set within the optical-limit approximation which is applicable to reaction cross section (σR) and σCC measurements at incident energies from 10 A to 2100 A MeV. Adopting the proton-density distribution of 12C known from the electron-scattering data, as well as the bare total nucleon-nucleon cross sections and the real-to-imaginary-part ratios of the forward proton-proton elastic scattering amplitude available in the literatures, we determine the energy-dependent slope parameter βp n of the proton-neutron elastic differential cross section so as to reproduce the existing σR and interaction cross-section data for 12C+12C over a wide range of incident energies. The Glauber model thus formulated is applied to calculate the σR's of 12C on a 9Be and 27Al targets at various incident energies. Our calculations show excellent agreement with the experimental data. Applying our model to the σR and σCC for the so-called neutron-skin 16C nucleus, we reconfirm the importance of measurements at incident energies below 100 A MeV. The proton root-mean-square radii of C-1612 are extracted using the measured σCC's and the existing σR data. The results for C-1412 are consistent with the values from the electron scatterings, demonstrating the feasibility, usefulness of the σCC measurement, and the present Glauber model.

Importance of correlations and fluctuations on the initial source eccentricity in high-energy nucleus-nucleus collisions

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

Alver, B.; Ballintijn, M.; Busza, W.

2008-01-15

In relativistic heavy-ion collisions, anisotropic collective flow is driven, event by event, by the initial eccentricity of the matter created in the nuclear overlap zone. Interpretation of the anisotropic flow data thus requires a detailed understanding of the effective initial source eccentricity of the event sample. In this paper, we investigate various ways of defining this effective eccentricity using the Monte Carlo Glauber (MCG) approach. In particular, we examine the participant eccentricity, which quantifies the eccentricity of the initial source shape by the major axes of the ellipse formed by the interaction points of the participating nucleons. We show thatmore » reasonable variation of the density parameters in the Glauber calculation, as well as variations in how matter production is modeled, do not significantly modify the already established behavior of the participant eccentricity as a function of collision centrality. Focusing on event-by-event fluctuations and correlations of the distributions of participating nucleons, we demonstrate that, depending on the achieved event-plane resolution, fluctuations in the elliptic flow magnitude v{sub 2} lead to most measurements being sensitive to the root-mean-square rather than the mean of the v{sub 2} distribution. Neglecting correlations among participants, we derive analytical expressions for the participant eccentricity cumulants as a function of the number of participating nucleons, N{sub part}, keeping nonnegligible contributions up to O(1/N{sub part}{sup 3}). We find that the derived expressions yield the same results as obtained from mixed-event MCG calculations which remove the correlations stemming from the nuclear collision process. Most importantly, we conclude from the comparison with MCG calculations that the fourth-order participant eccentricity cumulant does not approach the spatial anisotropy obtained assuming a smooth nuclear matter distribution. In particular, for the Cu+Cu system, these quantities deviate from each other by almost a factor of 2 over a wide range in centrality. This deviation reflects the essential role of participant spatial correlations in the interaction of two nuclei.« less

Autonomous multispecies reaction-diffusion systems with more-than-two-site interactions

NASA Astrophysics Data System (ADS)

Shariati, Ahmad; Aghamohammadi, Amir; Khorrami, Mohammad

2001-12-01

Autonomous multispecies systems with more-than-two-neighbor interactions are studied. Conditions necessary and sufficient for the closedness of the evolution equations of the n-point functions are obtained. The average numbers of the particles at each site for one species and three-site interactions, and its generalization to the more-than-three-site interactions, are explicitly obtained. Generalizations of the Glauber model in different directions, using generalized rates, generalized numbers of states at each site, and generalized numbers of interacting sites, are also investigated.

Nuclear modification factor RCP for φ meson production in d+Au collisions at √SNN=200 GeV measured by the PHENIX experiment at RHIC

NASA Astrophysics Data System (ADS)

Guo, Lei

2009-10-01

In d+Au collisions, vector mesons produced in hard scattering are sensitive to various nuclear effects such as parton shadowing/saturation in the small x region (forward rapidity) leading to suppression, and antishadowing (large x region, backward rapidity) or the Cronin effect which both can produce enhancement. Since approaches such as the Color Glass Condensate (CGC) and pQCD-based Glauber-Eikonal models do not agree on the nature of these nuclear effects on particle production at large rapidity, it is essential that they be tested with experimental data in this kinematic regime. Knowledge of the difference between the forward and backward rapidity regions, in d+Au collisions, could also be used to separate the initial-state nuclear wave function modifications and final state in-medium effects in Au+Au collisions. In addition, the relative ratio for the production of ρ, φ and φ can provide information on the production mechanisms of light vector mesons. The PHENIX collaboration at RHIC has recently collected data in d+Au collisions at √s=200 GeV during the 2008 run. The latest work on the RCP measurements of φ, through the di-muon decays at forward and backward rapidities (1.2<η<2.2), will be discussed.

Effects of longitudinal asymmetry in heavy-ion collisions

NASA Astrophysics Data System (ADS)

Raniwala, Rashmi; Raniwala, Sudhir; Loizides, Constantin

2018-02-01

In collisions of identical nuclei at a given impact parameter, the number of nucleons participating in the overlap region of each nucleus can be unequal due to nuclear density fluctuations. The asymmetry due to the unequal number of participating nucleons, referred to as longitudinal asymmetry, causes a shift in the center-of-mass rapidity of the participant zone. The information of the event asymmetry allows us to isolate and study the effect of longitudinal asymmetry on rapidity distribution of final state particles. In a Monte Carlo Glauber model the average rapidity shift is found to be almost linearly related to the asymmetry. Using toy models, as well as Monte Carlo data for Pb-Pb collisions at 2.76 TeV generated with hijing, two different versions of ampt and dpmjet models, we demonstrate that the effect of asymmetry on final state rapidity distribution can be quantitatively related to the average rapidity shift via a third-order polynomial with a dominantly linear term. The coefficients of the polynomial are proportional to the rapidity shift with the dependence being sensitive to the details of the rapidity distribution. Experimental estimates of the spectator asymmetry through the measurement of spectator nucleons in a zero-degree calorimeter may hence be used to further constrain the initial conditions in ultra-relativistic heavy-ion collisions.

Rényi information flow in the Ising model with single-spin dynamics.

PubMed

Deng, Zehui; Wu, Jinshan; Guo, Wenan

2014-12-01

The n-index Rényi mutual information and transfer entropies for the two-dimensional kinetic Ising model with arbitrary single-spin dynamics in the thermodynamic limit are derived as functions of ensemble averages of observables and spin-flip probabilities. Cluster Monte Carlo algorithms with different dynamics from the single-spin dynamics are thus applicable to estimate the transfer entropies. By means of Monte Carlo simulations with the Wolff algorithm, we calculate the information flows in the Ising model with the Metropolis dynamics and the Glauber dynamics, respectively. We find that not only the global Rényi transfer entropy, but also the pairwise Rényi transfer entropy, peaks in the disorder phase.

Accuracy of Reaction Cross Section for Exotic Nuclei in Glauber Model Based on MCMC Diagnostics

NASA Astrophysics Data System (ADS)

Rueter, Keiti; Novikov, Ivan

2017-01-01

Parameters of a nuclear density distribution for an exotic nuclei with halo or skin structures can be determined from the experimentally measured reaction cross-section. In the presented work, to extract parameters such as nuclear size information for a halo and core, we compare experimental data on reaction cross-sections with values obtained using expressions of the Glauber Model. These calculations are performed using a Markov Chain Monte Carlo algorithm. We discuss the accuracy of the Monte Carlo approach and its dependence on k*, the power law turnover point in the discreet power spectrum of the random number sequence and on the lag-1 autocorrelation time of the random number sequence.

Nonequilibrium magnetic properties in a two-dimensional kinetic mixed Ising system within the effective-field theory and Glauber-type stochastic dynamics approach.

PubMed

Ertaş, Mehmet; Deviren, Bayram; Keskin, Mustafa

2012-11-01

Nonequilibrium magnetic properties in a two-dimensional kinetic mixed spin-2 and spin-5/2 Ising system in the presence of a time-varying (sinusoidal) magnetic field are studied within the effective-field theory (EFT) with correlations. The time evolution of the system is described by using Glauber-type stochastic dynamics. The dynamic EFT equations are derived by employing the Glauber transition rates for two interpenetrating square lattices. We investigate the time dependence of the magnetizations for different interaction parameter values in order to find the phases in the system. We also study the thermal behavior of the dynamic magnetizations, the hysteresis loop area, and dynamic correlation. The dynamic phase diagrams are presented in the reduced magnetic field amplitude and reduced temperature plane and we observe that the system exhibits dynamic tricritical and reentrant behaviors. Moreover, the system also displays a double critical end point (B), a zero-temperature critical point (Z), a critical end point (E), and a triple point (TP). We also performed a comparison with the mean-field prediction in order to point out the effects of correlations and found that some of the dynamic first-order phase lines, which are artifacts of the mean-field approach, disappeared.

Improved Monte Carlo Glauber predictions at present and future nuclear colliders

NASA Astrophysics Data System (ADS)

Loizides, Constantin; Kamin, Jason; d'Enterria, David

2018-05-01

We present the results of an improved Monte Carlo Glauber (MCG) model of relevance for collisions involving nuclei at center-of-mass energies of the BNL Relativistic Heavy Ion Collider (√{sNN}=0.2 TeV), CERN Large Hadron Collider (LHC) (√{sNN}=2.76 -8.8 TeV ), and proposed future hadron colliders (√{sNN}≈10 -63 TeV). The inelastic p p cross sections as a function of √{sNN} are obtained from a precise data-driven parametrization that exploits the many available measurements at LHC collision energies. We describe the nuclear density of a lead nucleus with two separated two-parameter Fermi distributions for protons and neutrons to account for their different densities close to the nuclear periphery. Furthermore, we model the nucleon degrees of freedom inside the nucleus through a lattice with a minimum nodal separation, combined with a "recentering and reweighting" procedure, that overcomes some limitations of previous MCG approaches. The nuclear overlap function, number of participant nucleons and binary nucleon-nucleon collisions, participant eccentricity and triangularity, overlap area, and average path length are presented in intervals of percentile centrality for lead-lead (PbPb) and proton-lead (p Pb ) collisions at all collision energies. We demonstrate for collisions at √{sNN}=5.02 TeV that the central values of the Glauber quantities change by up to 7% in a few bins of reaction centrality, due to the improvements implemented, though typically they remain within the previously assigned systematic uncertainties, while their new associated uncertainties are generally smaller (mostly below 5%) at all centralities than for earlier calculations. Tables for all quantities versus centrality at present and foreseen collision energies involving Pb nuclei, as well as for collisions of XeXe at √{sNN}=5.44 TeV , and AuAu and CuCu at √{sNN}=0.2 TeV , are provided. The source code for the improved Monte Carlo Glauber model is made publicly available.

Double simple-harmonic-oscillator formulation of the thermal equilibrium of a fluid interacting with a coherent source of phonons

NASA Technical Reports Server (NTRS)

Defacio, B.; Vannevel, Alan; Brander, O.

1993-01-01

A formulation is given for a collection of phonons (sound) in a fluid at a non-zero temperature which uses the simple harmonic oscillator twice; one to give a stochastic thermal 'noise' process and the other which generates a coherent Glauber state of phonons. Simple thermodynamic observables are calculated and the acoustic two point function, 'contrast' is presented. The role of 'coherence' in an equilibrium system is clarified by these results and the simple harmonic oscillator is a key structure in both the formulation and the calculations.

Simulation's Ensemble is Better Than Ensemble Simulation

NASA Astrophysics Data System (ADS)

Yan, X.

2017-12-01

Simulation's ensemble is better than ensemble simulation Yan Xiaodong State Key Laboratory of Earth Surface Processes and Resource Ecology (ESPRE) Beijing Normal University,19 Xinjiekouwai Street, Haidian District, Beijing 100875, China Email: yxd@bnu.edu.cnDynamical system is simulated from initial state. However initial state data is of great uncertainty, which leads to uncertainty of simulation. Therefore, multiple possible initial states based simulation has been used widely in atmospheric science, which has indeed been proved to be able to lower the uncertainty, that was named simulation's ensemble because multiple simulation results would be fused . In ecological field, individual based model simulation (forest gap models for example) can be regarded as simulation's ensemble compared with community based simulation (most ecosystem models). In this talk, we will address the advantage of individual based simulation and even their ensembles.

The knockout reaction of {sup 15}C on a {sup 9}Be target at intermediate energies

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

Sadeghi, H., E-mail: H-Sadeghi@araku.ac.ir; Fereidonnejad, R.; Ghambari, M.

2016-05-15

In this work, neutron knockout reactions of {sup 15}C on a {sup 9}Be target at energy 103 and 250 MeV/nucleon are studied. Using the Eikonal approximation of the Glauber model, total neutron removal cross sections, the stripping and diffractive cross sections as well as {sup 14}C longitudinal momentum distributions are determined in both {sup 15}C ground state and exited states of the wave function. We compared the results of our calculations with the available experimental data obtained recently. The calculated cross sections of {sup 15}C and {sup 14}C reactions, as well as the momentum distribution are in relatively good agreementmore » with available data.« less

Correlated Event-by-Event Fluctuations of Flow Harmonics in Pb-Pb Collisions at √{sN N }=2.76 TeV

NASA Astrophysics Data System (ADS)

Adam, J.; Adamová, D.; Aggarwal, M. M.; Aglieri Rinella, G.; Agnello, M.; Agrawal, N.; Ahammed, Z.; Ahmad, S.; Ahn, S. U.; Aiola, S.; Akindinov, A.; Alam, S. N.; Albuquerque, D. S. D.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alfaro Molina, R.; Alici, A.; Alkin, A.; Almaraz, J. R. M.; Alme, J.; Alt, T.; Altinpinar, S.; Altsybeev, I.; Alves Garcia Prado, C.; Andrei, C.; Andronic, A.; Anguelov, V.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arcelli, S.; Arnaldi, R.; Arnold, O. W.; Arsene, I. C.; Arslandok, M.; Audurier, B.; Augustinus, A.; Averbeck, R.; Azmi, M. D.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Balasubramanian, S.; Baldisseri, A.; Baral, R. C.; Barbano, A. M.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartalini, P.; Barth, K.; Bartke, J.; Bartsch, E.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batista Camejo, A.; Batyunya, B.; Batzing, P. C.; Bearden, I. G.; Beck, H.; Bedda, C.; Behera, N. K.; Belikov, I.; Bellini, F.; Bello Martinez, H.; Bellwied, R.; Belmont, R.; Belmont-Moreno, E.; Beltran, L. G. E.; Belyaev, V.; Bencedi, G.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Bertens, R. A.; Berzano, D.; Betev, L.; Bhasin, A.; Bhat, I. R.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Biro, G.; Biswas, R.; Biswas, S.; Bjelogrlic, S.; Blair, J. T.; Blau, D.; Blume, C.; Bock, F.; Bogdanov, A.; Bøggild, H.; Boldizsár, L.; Bombara, M.; Book, J.; Borel, H.; Borissov, A.; Borri, M.; Bossú, F.; Botta, E.; Bourjau, C.; Braun-Munzinger, P.; Bregant, M.; Breitner, T.; Broker, T. A.; Browning, T. A.; Broz, M.; Brucken, E. J.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buncic, P.; Busch, O.; Buthelezi, Z.; Butt, J. B.; Buxton, J. T.; Cabala, J.; Caffarri, D.; Cai, X.; Caines, H.; Calero Diaz, L.; Caliva, A.; Calvo Villar, E.; Camerini, P.; Carena, F.; Carena, W.; Carnesecchi, F.; Castillo Castellanos, J.; Castro, A. J.; Casula, E. A. R.; Ceballos Sanchez, C.; Cepila, J.; Cerello, P.; Cerkala, J.; Chang, B.; Chapeland, S.; Chartier, M.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Chauvin, A.; Chelnokov, V.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Cho, S.; Chochula, P.; Choi, K.; Chojnacki, M.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Conesa Balbastre, G.; Conesa Del Valle, Z.; Connors, M. E.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortés Maldonado, I.; Cortese, P.; Cosentino, M. R.; Costa, F.; Crochet, P.; Cruz Albino, R.; Cuautle, E.; Cunqueiro, L.; Dahms, T.; Dainese, A.; Danisch, M. C.; Danu, A.; Das, D.; Das, I.; Das, S.; Dash, A.; Dash, S.; de, S.; de Caro, A.; de Cataldo, G.; de Conti, C.; de Cuveland, J.; de Falco, A.; de Gruttola, D.; De Marco, N.; de Pasquale, S.; de Souza, R. D.; Deisting, A.; Deloff, A.; Dénes, E.; Deplano, C.; Dhankher, P.; di Bari, D.; di Mauro, A.; di Nezza, P.; di Ruzza, B.; Diaz Corchero, M. A.; Dietel, T.; Dillenseger, P.; Divià, R.; Djuvsland, Ø.; Dobrin, A.; Domenicis Gimenez, D.; Dönigus, B.; Dordic, O.; Drozhzhova, T.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Dupieux, P.; Ehlers, R. J.; Elia, D.; Endress, E.; Engel, H.; Epple, E.; Erazmus, B.; Erdemir, I.; Erhardt, F.; Espagnon, B.; Estienne, M.; Esumi, S.; Eum, J.; Evans, D.; Evdokimov, S.; Eyyubova, G.; Fabbietti, L.; Fabris, D.; Faivre, J.; Fantoni, A.; Fasel, M.; Feldkamp, L.; Feliciello, A.; Feofilov, G.; Ferencei, J.; Fernández Téllez, A.; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Feuillard, V. J. G.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Fleck, M. G.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Francisco, A.; Frankenfeld, U.; Fronze, G. G.; Fuchs, U.; Furget, C.; Furs, A.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A. M.; Gajdosova, K.; Gallio, M.; Galvan, C. D.; Gangadharan, D. R.; Ganoti, P.; Gao, C.; Garabatos, C.; Garcia-Solis, E.; Gargiulo, C.; Gasik, P.; Gauger, E. F.; Germain, M.; Gheata, M.; Ghosh, P.; Ghosh, S. K.; Gianotti, P.; Giubellino, P.; Giubilato, P.; Gladysz-Dziadus, E.; Glässel, P.; Goméz Coral, D. M.; Gomez Ramirez, A.; Gonzalez, A. S.; Gonzalez, V.; González-Zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Grabski, V.; Grachov, O. A.; Graczykowski, L. K.; Graham, K. L.; Grelli, A.; Grigoras, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grinyov, B.; Grion, N.; Gronefeld, J. M.; Grosse-Oetringhaus, J. 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H.; Kaplin, V.; Kar, S.; Karasu Uysal, A.; Karavichev, O.; Karavicheva, T.; Karayan, L.; Karpechev, E.; Kebschull, U.; Keidel, R.; Keijdener, D. L. D.; Keil, M.; Mohisin Khan, M.; Khan, P.; Khan, S. A.; Khanzadeev, A.; Kharlov, Y.; Kileng, B.; Kim, D. W.; Kim, D. J.; Kim, D.; Kim, H.; Kim, J. S.; Kim, J.; Kim, M.; Kim, S.; Kim, T.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Kiss, G.; Klay, J. L.; Klein, C.; Klein, J.; Klein-Bösing, C.; Klewin, S.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Kobdaj, C.; Kofarago, M.; Kollegger, T.; Kolojvari, A.; Kondratiev, V.; Kondratyeva, N.; Kondratyuk, E.; Konevskikh, A.; Kopcik, M.; Kour, M.; Kouzinopoulos, C.; Kovalenko, O.; Kovalenko, V.; Kowalski, M.; Koyithatta Meethaleveedu, G.; Králik, I.; Kravčáková, A.; Krivda, M.; Krizek, F.; Kryshen, E.; Krzewicki, M.; Kubera, A. M.; Kučera, V.; Kuhn, C.; Kuijer, P. G.; Kumar, A.; Kumar, J.; Kumar, L.; Kumar, S.; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kweon, M. 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M.; Wiechula, J.; Wikne, J.; Wilk, G.; Wilkinson, J.; Williams, M. C. S.; Windelband, B.; Winn, M.; Yang, P.; Yano, S.; Yasin, Z.; Yin, Z.; Yokoyama, H.; Yoo, I.-K.; Yoon, J. H.; Yurchenko, V.; Zaborowska, A.; Zaccolo, V.; Zaman, A.; Zampolli, C.; Zanoli, H. J. C.; Zaporozhets, S.; Zardoshti, N.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zgura, I. S.; Zhalov, M.; Zhang, H.; Zhang, X.; Zhang, Y.; Zhang, C.; Zhang, Z.; Zhao, C.; Zhigareva, N.; Zhou, D.; Zhou, Y.; Zhou, Z.; Zhu, H.; Zhu, J.; Zichichi, A.; Zimmermann, A.; Zimmermann, M. B.; Zinovjev, G.; Zyzak, M.; Alice Collaboration

2016-10-01

We report the measurements of correlations between event-by-event fluctuations of amplitudes of anisotropic flow harmonics in nucleus-nucleus collisions, obtained for the first time using a new analysis method based on multiparticle cumulants in mixed harmonics. This novel method is robust against systematic biases originating from nonflow effects and by construction any dependence on symmetry planes is eliminated. We demonstrate that correlations of flow harmonics exhibit a better sensitivity to medium properties than the individual flow harmonics. The new measurements are performed in Pb-Pb collisions at the center-of-mass energy per nucleon pair of √{sN N }=2.76 TeV by the ALICE experiment at the Large Hadron Collider. The centrality dependence of correlation between event-by-event fluctuations of the elliptic v2 and quadrangular v4 flow harmonics, as well as of anticorrelation between v2 and triangular v3 flow harmonics are presented. The results cover two different regimes of the initial state configurations: geometry dominated (in midcentral collisions) and fluctuation dominated (in the most central collisions). Comparisons are made to predictions from Monte Carlo Glauber, viscous hydrodynamics, ampt, and hijing models. Together with the existing measurements of the individual flow harmonics the presented results provide further constraints on the initial conditions and the transport properties of the system produced in heavy-ion collisions.

Correlated Event-by-Event Fluctuations of Flow Harmonics in Pb-Pb Collisions at sqrt[s_{NN}]=2.76  TeV.

PubMed

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Mas, A; Masciocchi, S; Masera, M; Masoni, A; Mastroserio, A; Matyja, A; Mayer, C; Mazer, J; Mazzoni, M A; Mcdonald, D; Meddi, F; Melikyan, Y; Menchaca-Rocha, A; Meninno, E; Mercado Pérez, J; Meres, M; Miake, Y; Mieskolainen, M M; Mikhaylov, K; Milano, L; Milosevic, J; Mischke, A; Mishra, A N; Miśkowiec, D; Mitra, J; Mitu, C M; Mohammadi, N; Mohanty, B; Molnar, L; Montaño Zetina, L; Montes, E; Moreira De Godoy, D A; Moreno, L A P; Moretto, S; Morreale, A; Morsch, A; Muccifora, V; Mudnic, E; Mühlheim, D; Muhuri, S; Mukherjee, M; Mulligan, J D; Munhoz, M G; Münning, K; Munzer, R H; Murakami, H; Murray, S; Musa, L; Musinsky, J; Naik, B; Nair, R; Nandi, B K; Nania, R; Nappi, E; Naru, M U; Natal da Luz, H; Nattrass, C; Navarro, S R; Nayak, K; Nayak, R; Nayak, T K; Nazarenko, S; Nedosekin, A; Nellen, L; Ng, F; Nicassio, M; Niculescu, M; Niedziela, J; Nielsen, B S; Nikolaev, S; Nikulin, S; Nikulin, V; Noferini, F; Nomokonov, P; Nooren, G; Noris, J C C; Norman, J; Nyanin, A; Nystrand, J; Oeschler, H; 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Wagner, J; Wang, H; Wang, M; Watanabe, D; Watanabe, Y; Weber, M; Weber, S G; Weiser, D F; Wessels, J P; Westerhoff, U; Whitehead, A M; Wiechula, J; Wikne, J; Wilk, G; Wilkinson, J; Williams, M C S; Windelband, B; Winn, M; Yang, P; Yano, S; Yasin, Z; Yin, Z; Yokoyama, H; Yoo, I-K; Yoon, J H; Yurchenko, V; Zaborowska, A; Zaccolo, V; Zaman, A; Zampolli, C; Zanoli, H J C; Zaporozhets, S; Zardoshti, N; Zarochentsev, A; Závada, P; Zaviyalov, N; Zbroszczyk, H; Zgura, I S; Zhalov, M; Zhang, H; Zhang, X; Zhang, Y; Zhang, C; Zhang, Z; Zhao, C; Zhigareva, N; Zhou, D; Zhou, Y; Zhou, Z; Zhu, H; Zhu, J; Zichichi, A; Zimmermann, A; Zimmermann, M B; Zinovjev, G; Zyzak, M

2016-10-28

We report the measurements of correlations between event-by-event fluctuations of amplitudes of anisotropic flow harmonics in nucleus-nucleus collisions, obtained for the first time using a new analysis method based on multiparticle cumulants in mixed harmonics. This novel method is robust against systematic biases originating from nonflow effects and by construction any dependence on symmetry planes is eliminated. We demonstrate that correlations of flow harmonics exhibit a better sensitivity to medium properties than the individual flow harmonics. The new measurements are performed in Pb-Pb collisions at the center-of-mass energy per nucleon pair of sqrt[s_{NN}]=2.76  TeV by the ALICE experiment at the Large Hadron Collider. The centrality dependence of correlation between event-by-event fluctuations of the elliptic v_{2} and quadrangular v_{4} flow harmonics, as well as of anticorrelation between v_{2} and triangular v_{3} flow harmonics are presented. The results cover two different regimes of the initial state configurations: geometry dominated (in midcentral collisions) and fluctuation dominated (in the most central collisions). Comparisons are made to predictions from Monte Carlo Glauber, viscous hydrodynamics, ampt, and hijing models. Together with the existing measurements of the individual flow harmonics the presented results provide further constraints on the initial conditions and the transport properties of the system produced in heavy-ion collisions.

Coarsening and persistence in a one-dimensional system of orienting arrowheads: Domain-wall kinetics with A +B →0

NASA Astrophysics Data System (ADS)

Khandkar, Mahendra D.; Stinchcombe, Robin; Barma, Mustansir

2017-01-01

We demonstrate the large-scale effects of the interplay between shape and hard-core interactions in a system with left- and right-pointing arrowheads <> on a line, with reorientation dynamics. This interplay leads to the formation of two types of domain walls, >< (A ) and <> (B ). The correlation length in the equilibrium state diverges exponentially with increasing arrowhead density, with an ordered state of like orientations arising in the limit. In this high-density limit, the A domain walls diffuse, while the B walls are static. In time, the approach to the ordered state is described by a coarsening process governed by the kinetics of domain-wall annihilation A +B →0 , quite different from the A +A →0 kinetics pertinent to the Glauber-Ising model. The survival probability of a finite set of walls is shown to decay exponentially with time, in contrast to the power-law decay known for A +A →0 . In the thermodynamic limit with a finite density of walls, coarsening as a function of time t is studied by simulation. While the number of walls falls as t-1/2, the fraction of persistent arrowheads decays as t-θ where θ is close to 1/4 , quite different from the Ising value. The global persistence too has θ =1/4 , as follows from a heuristic argument. In a generalization where the B walls diffuse slowly, θ varies continuously, increasing with increasing diffusion constant.

Coarsening and persistence in a one-dimensional system of orienting arrowheads: Domain-wall kinetics with A+B→0.

PubMed

Khandkar, Mahendra D; Stinchcombe, Robin; Barma, Mustansir

2017-01-01

We demonstrate the large-scale effects of the interplay between shape and hard-core interactions in a system with left- and right-pointing arrowheads <> on a line, with reorientation dynamics. This interplay leads to the formation of two types of domain walls, >< (A) and <> (B). The correlation length in the equilibrium state diverges exponentially with increasing arrowhead density, with an ordered state of like orientations arising in the limit. In this high-density limit, the A domain walls diffuse, while the B walls are static. In time, the approach to the ordered state is described by a coarsening process governed by the kinetics of domain-wall annihilation A+B→0, quite different from the A+A→0 kinetics pertinent to the Glauber-Ising model. The survival probability of a finite set of walls is shown to decay exponentially with time, in contrast to the power-law decay known for A+A→0. In the thermodynamic limit with a finite density of walls, coarsening as a function of time t is studied by simulation. While the number of walls falls as t^{-1/2}, the fraction of persistent arrowheads decays as t^{-θ} where θ is close to 1/4, quite different from the Ising value. The global persistence too has θ=1/4, as follows from a heuristic argument. In a generalization where the B walls diffuse slowly, θ varies continuously, increasing with increasing diffusion constant.

Recently measured large AN for forward neutrons in p↑A collisions at √{sN N}=200 GeV explained through simulations of ultraperipheral collisions and hadronic interactions

NASA Astrophysics Data System (ADS)

Mitsuka, Gaku

2017-04-01

The PHENIX experiment at the BNL Relativistic Heavy Ion Collider recently reported transverse single-spin asymmetry, AN, for forward neutrons in p↑A collisions at √{sNN}=200 GeV . AN in p↑Al and p↑Au collisions were measured as -0.015 and 0.18, respectively. These values are clearly different from the measured AN=-0.08 in p↑p collisions. In this paper, I propose that a large AN for forward neutrons in ultraperipheral p↑A collisions may explain the PHENIX measurements. The proposed model is demonstrated using two Monte Carlo simulations. In the ultraperipheral collision simulation, I use the starlight event generator for the simulation of the virtual photon flux and then use the maid2007 unitary isobar model for the simulation of neutron production in the interactions of a virtual photon with a polarized proton. In the p↑A hadronic interaction simulation, the differential cross sections for forward neutron production are predicted by a simple one-pion exchange model and the Glauber model. The simulated AN values for both the contribution of ultraperipheral collisions and the hadronic interactions are in good agreement with the PHENIX results.

Hilbert's 17th Problem and the Quantumness of States

NASA Astrophysics Data System (ADS)

Korbicz, J. K.; Cirac, J. I.; Wehr, Jan; Lewenstein, M.

2005-04-01

A state of a quantum system can be regarded as classical (quantum) with respect to measurements of a set of canonical observables if and only if there exists (does not exist) a well defined, positive phase-space distribution, the so called Glauber-Sudarshan P representation. We derive a family of classicality criteria that requires that the averages of positive functions calculated using P representation must be positive. For polynomial functions, these criteria are related to Hilbert’s 17th problem, and have physical meaning of generalized squeezing conditions; alternatively, they may be interpreted as nonclassicality witnesses. We show that every generic nonclassical state can be detected by a polynomial that is a sum-of-squares of other polynomials. We introduce a very natural hierarchy of states regarding their degree of quantumness, which we relate to the minimal degree of a sum-of-squares polynomial that detects them.

Entropy production in a Glauber–Ising irreversible model with dynamical competition

NASA Astrophysics Data System (ADS)

Barbosa, Oscar A.; Tomé, Tânia

2018-06-01

An out of equilibrium Glauber–Ising model, evolving in accordance with an irreversible and stochastic Markovian dynamics, is analyzed in order to improve our comprehension concerning critical behavior and phase transitions in nonequilibrium systems. Therefore, a lattice model ruled by the competition between two Glauber dynamics acting on interlaced square lattices is proposed. Previous results have shown how the entropy production provides information about irreversibility and criticality. Mean-field approximations and Monte Carlo simulations were used in the analysis. The results obtained here show a continuous phase transition, reflected in the entropy production as a logarithmic divergence of its derivative, which suggests a shared universality class with the irreversible models invariant under the symmetry operations of the Ising model.

Tests of constituent-quark generation methods which maintain both the nucleon center of mass and the desired radial distribution in Monte Carlo Glauber models

DOE PAGES

Mitchell, J. T.; Perepelitsa, D. V.; Tannenbaum, M. J.; ...

2016-05-23

Here, several methods of generating three constituent quarks in a nucleon are evaluated which explicitly maintain the nucleon's center of mass and desired radial distribution and can be used within Monte Carlo Glauber frameworks. The geometric models provided by each method are used to generate distributions over the number of constituent quark participants ( N qp) in p+p,d+Au, and Au+Au collisions. The results are compared with each other and to a previous result of N qp calculations, without this explicit constraint, used in measurements of √S NN = 200 GeV p+p,d+Au, and Au+Au collisions at the BNL Relativistic Heavy Ionmore » Collider.« less

A novel Kinetic Monte Carlo algorithm for Non-Equilibrium Simulations

NASA Astrophysics Data System (ADS)

Jha, Prateek; Kuzovkov, Vladimir; Grzybowski, Bartosz; Olvera de La Cruz, Monica

2012-02-01

We have developed an off-lattice kinetic Monte Carlo simulation scheme for reaction-diffusion problems in soft matter systems. The definition of transition probabilities in the Monte Carlo scheme are taken identical to the transition rates in a renormalized master equation of the diffusion process and match that of the Glauber dynamics of Ising model. Our scheme provides several advantages over the Brownian dynamics technique for non-equilibrium simulations. Since particle displacements are accepted/rejected in a Monte Carlo fashion as opposed to moving particles following a stochastic equation of motion, nonphysical movements (e.g., violation of a hard core assumption) are not possible (these moves have zero acceptance). Further, the absence of a stochastic ``noise'' term resolves the computational difficulties associated with generating statistically independent trajectories with definitive mean properties. Finally, since the timestep is independent of the magnitude of the interaction forces, much longer time-steps can be employed than Brownian dynamics. We discuss the applications of this scheme for dynamic self-assembly of photo-switchable nanoparticles and dynamical problems in polymeric systems.

Survey of A asymmetries in semi-exclusive electron scattering on 4He and 12C

NASA Astrophysics Data System (ADS)

Protopopescu, D.; Hersman, F. W.; Holtrop, M.; Adams, G.; Ambrozewicz, P.; Anciant, E.; Anghinolfi, M.; Asavapibhop, B.; Asryan, G.; Audit, G.; Auger, T.; Avakian, H.; Bagdasaryan, H.; Ball, J. P.; Barrow, S.; Battaglieri, M.; Beard, K.; Bektasoglu, M.; Bellis, M.; Benmouna, N.; Berman, B. L.; Bertozzi, W.; Bianchi, N.; Biselli, A. S.; Boiarinov, S.; Bonner, B. E.; Bouchigny, S.; Bradford, R.; Branford, D.; Briscoe, W. J.; Brooks, W. K.; Burkert, V. D.; Butuceanu, C.; Calarco, J. R.; Carman, D. S.; Carnahan, B.; Cetina, C.; Chen, S.; Cole, P. L.; Coleman, A.; Cords, D.; Corvisiero, P.; Crabb, D.; Crannell, H.; Cummings, J. P.; Debruyne, D.; De Sanctis, E.; DeVita, R.; Degtyarenko, P. V.; Dennis, L.; Dharmawardane, K. V.; Dhuga, K. S.; Djalali, C.; Dodge, G. E.; Doughty, D.; Dragovitsch, P.; Dugger, M.; Dytman, S.; Dzyubak, O. P.; Egiyan, H.; Egiyan, K. S.; Elouadrhiri, L.; Empl, A.; Eugenio, P.; Fatemi, R.; Feuerbach, R. J.; Forest, T. A.; Funsten, H.; Gavalian, G.; Gilad, S.; Gilfoyle, G. P.; Giovanetti, K. L.; Girard, P.; Gordon, C. I. O.; Gothe, R. W.; Griffioen, K. A.; Guidal, M.; Guillo, M.; Guler, N.; Guo, L.; Gyurjyan, V.; Hadjidakis, C.; Hakobyan, R. S.; Hardie, J.; Heddle, D.; Hicks, K.; Hleiqawi, I.; Hu, J.; Hyde-Wright, C. E.; Ingram, W.; Ireland, D.; Ito, M. M.; Jenkins, D.; Joo, K.; Juengst, H. G.; Kelley, J. H.; Kellie, J. D.; Khandaker, M.; Kim, K. Y.; Kim, K.; Kim, W.; Klein, A.; Klein, F. J.; Klimenko, A. V.; Klusman, M.; Kossov, M.; Kramer, L. H.; Kuhn, S. E.; Kuhn, J.; Lachniet, J.; Laget, J. M.; Langheinrich, J.; Lawrence, D.; Lee, T.; Li, Ji; Livingston, K.; Lukashin, K.; Manak, J. J.; Marchand, C.; McAleer, S.; McLauchlan, S. T.; McNabb, J. W. C.; Mecking, B. A.; Melone, J. J.; Mestayer, M. D.; Meyer, C. A.; Mikhailov, K.; Minehart, R.; Mirazita, M.; Miskimen, R.; Morand, L.; Morrow, S. A.; Muccifora, V.; Mueller, J.; Mutchler, G. S.; Napolitano, J.; Nasseripour, R.; Nelson, S. O.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Niczyporuk, B. B.; Niyazov, R. A.; Nozar, M.; O'Rielly, G. V.; Osipenko, M.; Ostrovidov, A.; Park, K.; Pasyuk, E.; Peterson, G.; Philips, S. A.; Pivnyuk, N.; Pocanic, D.; Pogorelko, O.; Polli, E.; Pozdniakov, S.; Preedom, B. M.; Price, J. W.; Prok, Y.; Qin, L. M.; Raue, B. A.; Riccardi, G.; Ricco, G.; Ripani, M.; Ritchie, B. G.; Ronchetti, F.; Rosner, G.; Rossi, P.; Rowntree, D.; Rubin, P. D.; Ryckebusch, J.; Sabatié, F.; Sabourov, K.; Salgado, C.; Santoro, J. P.; Sapunenko, V.; Schumacher, R. A.; Serov, V. S.; Sharabian, Y. G.; Shaw, J.; Simionatto, S.; Skabelin, A. V.; Smith, E. S.; Smith, L. C.; Sober, D. I.; Spraker, M.; Stavinsky, A.; Stepanyan, S.; Stokes, B. E.; Stoler, P.; Strauch, S.; Taiuti, M.; Taylor, S.; Tedeschi, D. J.; Thoma, U.; Thompson, R.; Tkabladze, A.; Todor, L.; Tur, C.; Ungaro, M.; Vineyard, M. F.; Vlassov, A. V.; Wang, K.; Weinstein, L. B.; Weller, H.; Weygand, D. P.; Whisnant, C. S.; Williams, M.; Wolin, E.; Wood, M. H.; Yegneswaran, A.; Yun, J.; Zana, L.; Zhang, B.; CLAS Collaboration

2005-02-01

Single spin azimuthal asymmetries A were measured at Jefferson Lab using 2.2 and 4.4 GeV longitudinally polarised electrons incident on 4He and 12C targets in the CLAS detector. A is related to the imaginary part of the longitudinal-transverse interference and in quasifree nucleon knockout it provides an unambiguous signature for final state interactions (FSI). Experimental values of A were found to be below 5%, typically |A|⩽3% for data with good statistical precision. Optical model in eikonal approximation (OMEA) and relativistic multiple-scattering Glauber approximation (RMSGA) calculations are shown to be consistent with the measured asymmetries.

Charged particle production in p+Pb collisions measured by the ATLAS detector

NASA Astrophysics Data System (ADS)

Shulga, Evgeny; ATLAS Collaboration

2017-01-01

Per-event charged particle spectra and nuclear modification factors are measured with the ATLAS detector at the LHC in p+Pb interactions at √sNN = 5.02 TeV. Results are presented as a function of transverse momentum, rapidity, and in different intervals of collision centrality, which is characterised in p+Pb collisions by the total transverse energy measured over the pseudorapidity interval -3.2 < η < -4.9 in the direction of the lead beam. Three different calculations of the number of nucleons participating in p+Pb collisions have been performed, assuming the Glauber model and its Glauber-Gribov Colour Fluctuation extensions. The results using different models are compared with each other, as well as with other measurements made under the same conditions and also with centrality definition based on different rapidity intervals.

On the long-term memory of the Greenland Ice Sheet

NASA Astrophysics Data System (ADS)

Rogozhina, I.; Martinec, Z.; Hagedoorn, J. M.; Thomas, M.; Fleming, K.

2011-03-01

In this study, the memory of the Greenland Ice Sheet (GIS) with respect to its past states is analyzed. According to ice core reconstructions, the present-day GIS reflects former climatic conditions dating back to at least 250 thousand years before the present (kyr BP). This fact must be considered when initializing an ice sheet model. The common initialization techniques are paleoclimatic simulations driven by atmospheric forcing inferred from ice core records and steady state simulations driven by the present-day or past climatic conditions. When paleoclimatic simulations are used, the information about the past climatic conditions is partly reflected in the resulting present-day state of the GIS. However, there are several important questions that need to be clarified. First, for how long does the model remember its initial state? Second, it is generally acknowledged that, prior to 100 kyr BP, the longest Greenland ice core record (GRIP) is distorted by ice-flow irregularities. The question arises as to what extent do the uncertainties inherent in the GRIP-based forcing influence the resulting GIS? Finally, how is the modeled thermodynamic state affected by the choice of initialization technique (paleo or steady state)? To answer these questions, a series of paleoclimatic and steady state simulations is carried out. We conclude that (1) the choice of an ice-covered initial configuration shortens the initialization simulation time to 100 kyr, (2) the uncertainties in the GRIP-based forcing affect present-day modeled ice-surface topographies and temperatures only slightly, and (3) the GIS forced by present-day climatic conditions is overall warmer than that resulting from a paleoclimatic simulation.

Decay properties and reaction dynamics of zirconium isotopes in the relativistic mean-field model

NASA Astrophysics Data System (ADS)

Panigrahi, M.; Panda, R. N.; Kumar, Bharat; Patra, S. K.

In the framework of relativistic mean-field theory, the ground state properties like binding energy, charge radius and quadrupole deformation parameter for various isotopes of zirconium from the valley of stability to drip-line region have been studied. The results are compared with the experimental data and we found reasonable agreement. The calculations are carried out for β-decay energy and β-decay half-life up to the drip-line. Total reaction and elastic differential cross-sections are also studied for few zirconium isotopes as projectiles with 12C as target, using different parameter sets namely NL3*, DD-ME2 and DD-PC1 in conjunction with Glauber model.

Trajectory phase transitions and dynamical Lee-Yang zeros of the Glauber-Ising chain.

PubMed

Hickey, James M; Flindt, Christian; Garrahan, Juan P

2013-07-01

We examine the generating function of the time-integrated energy for the one-dimensional Glauber-Ising model. At long times, the generating function takes on a large-deviation form and the associated cumulant generating function has singularities corresponding to continuous trajectory (or "space-time") phase transitions between paramagnetic trajectories and ferromagnetically or antiferromagnetically ordered trajectories. In the thermodynamic limit, the singularities make up a whole curve of critical points in the complex plane of the counting field. We evaluate analytically the generating function by mapping the generator of the biased dynamics to a non-Hermitian Hamiltonian of an associated quantum spin chain. We relate the trajectory phase transitions to the high-order cumulants of the time-integrated energy which we use to extract the dynamical Lee-Yang zeros of the generating function. This approach offers the possibility to detect continuous trajectory phase transitions from the finite-time behavior of measurable quantities.

Extended Glauber Model of Antiproton-Nucleus Annihilation for All Energies and Mass Numbers

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

Lee, Teck-Ghee; Wong, Cheuk-Yin

2014-01-01

Previous analytical formulas in the Glauber model for high-energy nucleus-nucleus collisions developed by Wong are utilized and extended to study Antiproton-nucleus annihilations for both high and low energies, after taking into account the effects of Coulomb and nuclear interactions, and the change of the antiproton momentum inside a nucleus. The extended analytical formulas capture the main features of the experimental antiproton-nucleus annihilation cross sections for all energies and mass numbers. At high antiproton energies, they exhibit the granular property for the lightest nuclei and the black-disk limit for the heavy nuclei. At low antiproton energies, they display the effect ofmore » the antiproton momentum increase due to the nuclear interaction for the light nuclei, and the effect of the magnification due to the attractive Coulomb interaction for the heavy nuclei.« less

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

Daleu, C. L.; Plant, R. S.; Woolnough, S. J.

Here, as part of an international intercomparison project, a set of single-column models (SCMs) and cloud-resolving models (CRMs) are run under the weak-temperature gradient (WTG) method and the damped gravity wave (DGW) method. For each model, the implementation of the WTG or DGW method involves a simulated column which is coupled to a reference state defined with profiles obtained from the same model in radiative-convective equilibrium. The simulated column has the same surface conditions as the reference state and is initialized with profiles from the reference state. We performed systematic comparison of the behavior of different models under a consistentmore » implementation of the WTG method and the DGW method and systematic comparison of the WTG and DGW methods in models with different physics and numerics. CRMs and SCMs produce a variety of behaviors under both WTG and DGW methods. Some of the models reproduce the reference state while others sustain a large-scale circulation which results in either substantially lower or higher precipitation compared to the value of the reference state. CRMs show a fairly linear relationship between precipitation and circulation strength. SCMs display a wider range of behaviors than CRMs. Some SCMs under the WTG method produce zero precipitation. Within an individual SCM, a DGW simulation and a corresponding WTG simulation can produce different signed circulation. When initialized with a dry troposphere, DGW simulations always result in a precipitating equilibrium state. The greatest sensitivities to the initial moisture conditions occur for multiple stable equilibria in some WTG simulations, corresponding to either a dry equilibrium state when initialized as dry or a precipitating equilibrium state when initialized as moist. Multiple equilibria are seen in more WTG simulations for higher SST. In some models, the existence of multiple equilibria is sensitive to some parameters in the WTG calculations.« less

Pilot-in-the-Loop CFD Method Development

DTIC Science & Technology

2017-04-20

the methods on the NAVAIR Manned Flight Simulator. Activities this period During this report period, we implemented the CRAFT CFD code on the...Penn State VLRCROE Flight simulator and performed the first Pilot-in-the-Loop PILCFD tests at Penn State using the COCOA5 clusters. The initial tests...integration of the flight simulator and Penn State computing infrastructure. Initial tests showed slower performance than real-time (3x slower than real

Light induced kickoff of magnetic domain walls in Ising chains

NASA Astrophysics Data System (ADS)

Bogani, Lapo

2012-02-01

Controlling the speed at which systems evolve is a challenge shared by all disciplines, and otherwise unrelated areas use common theoretical frameworks towards this goal. A particularly widespread model is Glauber dynamics, which describes the time evolution of the Ising model and can be applied to any binary system. Here we show, using molecular nanowires under irradiation, that Glauber dynamics can be controlled by a novel domain-wall kickoff mechanism. Contrary to known processes, the kickoff has unambiguous fingerprints, slowing down the spin-flip attempt rate by several orders of magnitude, and following a scaling law. The required irradiation power is very low, a substantial improvement over present methods of magnetooptical switching: in our experimental demonstration we switched molecular nanowires with light, using powers thousands of times lower than in previous optical switching methods. This manipulation of stochastic dynamic processes is extremely clean, leading to fingerprint signatures and scaling laws. These observations can be used, in material science, to better study domain-wall displacements and solitons in discrete lattices. These results provide a new way to control and study stochastic dynamic processes. Being general for Glauber dynamics, they can be extended to different kinds of magnetic nanowires and to a myriad of fields, ranging from social evolution to neural networks and chemical reactivity. For nanoelectronics and molecular spintronics the kickoff affords external control of molecular spin-valves and a magnetic fingerprint in single molecule measurements. It can also be applied to the dynamics of mechanical switches and the related study of phasons and order-disorder transitions.

Transverse momentum, rapidity, and centrality dependence of inclusive charged-particle production in √{sNN} = 5.02 TeVp + Pb collisions measured by the ATLAS experiment

NASA Astrophysics Data System (ADS)

Aad, G.; Abbott, B.; Abdallah, J.; Abdinov, O.; Abeloos, B.; Aben, R.; Abouzeid, O. S.; Abraham, N. L.; Abramowicz, H.; Abreu, H.; Abreu, R.; Abulaiti, Y.; Acharya, B. S.; Adamczyk, L.; Adams, D. L.; Adelman, J.; Adomeit, S.; Adye, T.; Affolder, A. A.; Agatonovic-Jovin, T.; Agricola, J.; Aguilar-Saavedra, J. A.; Ahlen, S. P.; Ahmadov, F.; Aielli, G.; Akerstedt, H.; Åkesson, T. P. A.; Akimov, A. V.; Alberghi, G. L.; Albert, J.; Albrand, S.; Alconada Verzini, M. J.; Aleksa, M.; Aleksandrov, I. N.; Alexa, C.; Alexander, G.; Alexopoulos, T.; Alhroob, M.; Aliev, M.; Alimonti, G.; Alison, J.; Alkire, S. P.; Allbrooke, B. M. M.; Allen, B. W.; Allport, P. P.; Aloisio, A.; Alonso, A.; Alonso, F.; Alpigiani, C.; Alstaty, M.; Alvarez Gonzalez, B.; Álvarez Piqueras, D.; Alviggi, M. G.; Amadio, B. T.; Amako, K.; Amaral Coutinho, Y.; Amelung, C.; Amidei, D.; Amor Dos Santos, S. P.; Amorim, A.; Amoroso, S.; Amundsen, G.; Anastopoulos, C.; Ancu, L. S.; Andari, N.; Andeen, T.; Anders, C. F.; Anders, G.; Anders, J. K.; Anderson, K. J.; Andreazza, A.; Andrei, V.; Angelidakis, S.; Angelozzi, I.; Anger, P.; Angerami, A.; Anghinolfi, F.; Anisenkov, A. V.; Anjos, N.; Annovi, A.; Antonelli, M.; Antonov, A.; Anulli, F.; Aoki, M.; Aperio Bella, L.; Arabidze, G.; Arai, Y.; Araque, J. P.; Arce, A. T. H.; Arduh, F. A.; Arguin, J.-F.; Argyropoulos, S.; Arik, M.; Armbruster, A. J.; Armitage, L. J.; Arnaez, O.; Arnold, H.; Arratia, M.; Arslan, O.; Artamonov, A.; Artoni, G.; Artz, S.; Asai, S.; Asbah, N.; Ashkenazi, A.; Åsman, B.; Asquith, L.; Assamagan, K.; Astalos, R.; Atkinson, M.; Atlay, N. B.; Augsten, K.; Avolio, G.; Axen, B.; Ayoub, M. K.; Azuelos, G.; Baak, M. A.; Baas, A. E.; Baca, M. J.; Bachacou, H.; Bachas, K.; Backes, M.; Backhaus, M.; Bagiacchi, P.; Bagnaia, P.; Bai, Y.; Baines, J. T.; Baker, O. K.; Baldin, E. M.; Balek, P.; Balestri, T.; Balli, F.; Balunas, W. K.; Banas, E.; Banerjee, Sw.; Bannoura, A. A. E.; Barak, L.; Barberio, E. L.; Barberis, D.; Barbero, M.; Barillari, T.; Barklow, T.; Barlow, N.; Barnes, S. L.; Barnett, B. M.; Barnett, R. M.; Barnovska, Z.; Baroncelli, A.; Barone, G.; Barr, A. J.; Barranco Navarro, L.; Barreiro, F.; Barreiro Guimarães da Costa, J.; Bartoldus, R.; Barton, A. E.; Bartos, P.; Basalaev, A.; Bassalat, A.; Bates, R. L.; Batista, S. J.; Batley, J. R.; Battaglia, M.; Bauce, M.; Bauer, F.; Bawa, H. S.; Beacham, J. B.; Beattie, M. D.; Beau, T.; Beauchemin, P. H.; Bechtle, P.; Beck, H. P.; Becker, K.; Becker, M.; Beckingham, M.; Becot, C.; Beddall, A. J.; Beddall, A.; Bednyakov, V. A.; Bedognetti, M.; Bee, C. P.; Beemster, L. J.; Beermann, T. A.; Begel, M.; Behr, J. K.; Belanger-Champagne, C.; Bell, A. S.; Bella, G.; Bellagamba, L.; Bellerive, A.; Bellomo, M.; Belotskiy, K.; Beltramello, O.; Belyaev, N. L.; Benary, O.; Benchekroun, D.; Bender, M.; Bendtz, K.; Benekos, N.; Benhammou, Y.; Benhar Noccioli, E.; Benitez, J.; Benjamin, D. P.; Bensinger, J. R.; Bentvelsen, S.; Beresford, L.; Beretta, M.; Berge, D.; Bergeaas Kuutmann, E.; Berger, N.; Beringer, J.; Berlendis, S.; Bernard, N. R.; Bernius, C.; Bernlochner, F. U.; Berry, T.; Berta, P.; Bertella, C.; Bertoli, G.; Bertolucci, F.; Bertram, I. A.; Bertsche, C.; Bertsche, D.; Besjes, G. J.; Bessidskaia Bylund, O.; Bessner, M.; Besson, N.; Betancourt, C.; Bethke, S.; Bevan, A. J.; Bhimji, W.; Bianchi, R. M.; Bianchini, L.; Bianco, M.; Biebel, O.; Biedermann, D.; Bielski, R.; Biesuz, N. V.; Biglietti, M.; Bilbao de Mendizabal, J.; Bilokon, H.; Bindi, M.; Binet, S.; Bingul, A.; Bini, C.; Biondi, S.; Bjergaard, D. M.; Black, C. W.; Black, J. E.; Black, K. M.; Blackburn, D.; Blair, R. E.; Blanchard, J.-B.; Blanco, J. E.; Blazek, T.; Bloch, I.; Blocker, C.; Blum, W.; Blumenschein, U.; Blunier, S.; Bobbink, G. J.; Bobrovnikov, V. S.; Bocchetta, S. S.; Bocci, A.; Bock, C.; Boehler, M.; Boerner, D.; Bogaerts, J. A.; Bogavac, D.; Bogdanchikov, A. G.; Bohm, C.; Boisvert, V.; Bokan, P.; Bold, T.; Boldyrev, A. S.; Bomben, M.; Bona, M.; Boonekamp, M.; Borisov, A.; Borissov, G.; Bortfeldt, J.; Bortoletto, D.; Bortolotto, V.; Bos, K.; Boscherini, D.; Bosman, M.; Bossio Sola, J. D.; Boudreau, J.; Bouffard, J.; Bouhova-Thacker, E. V.; Boumediene, D.; Bourdarios, C.; Boutle, S. K.; Boveia, A.; Boyd, J.; Boyko, I. R.; Bracinik, J.; Brandt, A.; Brandt, G.; Brandt, O.; Bratzler, U.; Brau, B.; Brau, J. E.; Braun, H. M.; Breaden Madden, W. D.; Brendlinger, K.; Brennan, A. J.; Brenner, L.; Brenner, R.; Bressler, S.; Bristow, T. M.; Britton, D.; Britzger, D.; Brochu, F. M.; Brock, I.; Brock, R.; Brooijmans, G.; Brooks, T.; Brooks, W. K.; Brosamer, J.; Brost, E.; Broughton, J. H.; Bruckman de Renstrom, P. A.; Bruncko, D.; Bruneliere, R.; Bruni, A.; Bruni, G.; Brunt, Bh; Bruschi, M.; Bruscino, N.; Bryant, P.; Bryngemark, L.; Buanes, T.; Buat, Q.; Buchholz, P.; Buckley, A. G.; Budagov, I. A.; Buehrer, F.; Bugge, M. K.; Bulekov, O.; Bullock, D.; Burckhart, H.; Burdin, S.; Burgard, C. D.; Burghgrave, B.; Burka, K.; Burke, S.; Burmeister, I.; Busato, E.; Büscher, D.; Büscher, V.; Bussey, P.; Butler, J. M.; Buttar, C. M.; Butterworth, J. M.; Butti, P.; Buttinger, W.; Buzatu, A.; Buzykaev, A. R.; Cabrera Urbán, S.; Caforio, D.; Cairo, V. M.; Cakir, O.; Calace, N.; Calafiura, P.; Calandri, A.; Calderini, G.; Calfayan, P.; Caloba, L. P.; Calvet, D.; Calvet, S.; Calvet, T. P.; Camacho Toro, R.; Camarda, S.; Camarri, P.; Cameron, D.; Caminal Armadans, R.; Camincher, C.; Campana, S.; Campanelli, M.; Camplani, A.; Campoverde, A.; Canale, V.; Canepa, A.; Cano Bret, M.; Cantero, J.; Cantrill, R.; Cao, T.; Capeans Garrido, M. D. M.; Caprini, I.; Caprini, M.; Capua, M.; Caputo, R.; Carbone, R. M.; Cardarelli, R.; Cardillo, F.; Carli, I.; Carli, T.; Carlino, G.; Carminati, L.; Caron, S.; Carquin, E.; Carrillo-Montoya, G. D.; Carter, J. R.; Carvalho, J.; Casadei, D.; Casado, M. P.; Casolino, M.; Casper, D. W.; Castaneda-Miranda, E.; Castelijn, R.; Castelli, A.; Castillo Gimenez, V.; Castro, N. F.; Catinaccio, A.; Catmore, J. R.; Cattai, A.; Caudron, J.; Cavaliere, V.; Cavallaro, E.; Cavalli, D.; Cavalli-Sforza, M.; Cavasinni, V.; Ceradini, F.; Cerda Alberich, L.; Cerio, B. C.; Cerqueira, A. S.; Cerri, A.; Cerrito, L.; Cerutti, F.; Cerv, M.; Cervelli, A.; Cetin, S. A.; Chafaq, A.; Chakraborty, D.; Chan, S. K.; Chan, Y. L.; Chang, P.; Chapman, J. D.; Charlton, D. G.; Chatterjee, A.; Chau, C. C.; Chavez Barajas, C. A.; Che, S.; Cheatham, S.; Chegwidden, A.; Chekanov, S.; Chekulaev, S. V.; Chelkov, G. A.; Chelstowska, M. A.; Chen, C.; Chen, H.; Chen, K.; Chen, S.; Chen, S.; Chen, X.; Chen, Y.; Cheng, H. C.; Cheng, H. J.; Cheng, Y.; Cheplakov, A.; Cheremushkina, E.; Cherkaoui El Moursli, R.; Chernyatin, V.; Cheu, E.; Chevalier, L.; Chiarella, V.; Chiarelli, G.; Chiodini, G.; Chisholm, A. S.; Chitan, A.; Chizhov, M. V.; Choi, K.; Chomont, A. R.; Chouridou, S.; Chow, B. K. B.; Christodoulou, V.; Chromek-Burckhart, D.; Chudoba, J.; Chuinard, A. J.; Chwastowski, J. J.; Chytka, L.; Ciapetti, G.; Ciftci, A. K.; Cinca, D.; Cindro, V.; Cioara, I. A.; Ciocio, A.; Cirotto, F.; Citron, Z. H.; Citterio, M.; Ciubancan, M.; Clark, A.; Clark, B. L.; Clark, M. R.; Clark, P. J.; Clarke, R. N.; Clement, C.; Coadou, Y.; Cobal, M.; Coccaro, A.; Cochran, J.; Coffey, L.; Colasurdo, L.; Cole, B.; Colijn, A. P.; Collot, J.; Colombo, T.; Compostella, G.; Conde Muiño, P.; Coniavitis, E.; Connell, S. H.; Connelly, I. A.; Consorti, V.; Constantinescu, S.; Conti, G.; Conventi, F.; Cooke, M.; Cooper, B. D.; Cooper-Sarkar, A. M.; Cormier, K. J. R.; Cornelissen, T.; Corradi, M.; Corriveau, F.; Corso-Radu, A.; Cortes-Gonzalez, A.; Cortiana, G.; Costa, G.; Costa, M. J.; Costanzo, D.; Cottin, G.; Cowan, G.; Cox, B. E.; Cranmer, K.; Crawley, S. J.; Cree, G.; Crépé-Renaudin, S.; Crescioli, F.; Cribbs, W. A.; Crispin Ortuzar, M.; Cristinziani, M.; Croft, V.; Crosetti, G.; Cuhadar Donszelmann, T.; Cummings, J.; Curatolo, M.; Cúth, J.; Cuthbert, C.; Czirr, H.; Czodrowski, P.; D'Amen, G.; D'Auria, S.; D'Onofrio, M.; da Cunha Sargedas de Sousa, M. J.; da Via, C.; Dabrowski, W.; Dado, T.; Dai, T.; Dale, O.; Dallaire, F.; Dallapiccola, C.; Dam, M.; Dandoy, J. R.; Dang, N. P.; Daniells, A. C.; Dann, N. S.; Danninger, M.; Dano Hoffmann, M.; Dao, V.; Darbo, G.; Darmora, S.; Dassoulas, J.; Dattagupta, A.; Davey, W.; David, C.; Davidek, T.; Davies, M.; Davison, P.; Dawe, E.; Dawson, I.; Daya-Ishmukhametova, R. K.; de, K.; de Asmundis, R.; de Benedetti, A.; de Castro, S.; de Cecco, S.; de Groot, N.; de Jong, P.; de la Torre, H.; de Lorenzi, F.; de Maria, A.; de Pedis, D.; de Salvo, A.; de Sanctis, U.; de Santo, A.; de Vivie de Regie, J. B.; Dearnaley, W. J.; Debbe, R.; Debenedetti, C.; Dedovich, D. V.; Dehghanian, N.; Deigaard, I.; Del Gaudio, M.; Del Peso, J.; Del Prete, T.; Delgove, D.; Deliot, F.; Delitzsch, C. M.; Deliyergiyev, M.; Dell'Acqua, A.; Dell'Asta, L.; Dell'Orso, M.; Della Pietra, M.; Della Volpe, D.; Delmastro, M.; Delsart, P. A.; Deluca, C.; Demarco, D. A.; Demers, S.; Demichev, M.; Demilly, A.; Denisov, S. P.; Denysiuk, D.; Derendarz, D.; Derkaoui, J. E.; Derue, F.; Dervan, P.; Desch, K.; Deterre, C.; Dette, K.; Deviveiros, P. O.; Dewhurst, A.; Dhaliwal, S.; di Ciaccio, A.; di Ciaccio, L.; di Clemente, W. K.; di Donato, C.; di Girolamo, A.; di Girolamo, B.; di Micco, B.; di Nardo, R.; di Simone, A.; di Sipio, R.; di Valentino, D.; Diaconu, C.; Diamond, M.; Dias, F. A.; Diaz, M. A.; Diehl, E. B.; Dietrich, J.; Diglio, S.; Dimitrievska, A.; Dingfelder, J.; Dita, P.; Dita, S.; Dittus, F.; Djama, F.; Djobava, T.; Djuvsland, J. I.; Do Vale, M. A. B.; Dobos, D.; Dobre, M.; Doglioni, C.; Dohmae, T.; Dolejsi, J.; Dolezal, Z.; Dolgoshein, B. 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I.; Mindur, B.; Mineev, M.; Ming, Y.; Mir, L. M.; Mistry, K. P.; Mitani, T.; Mitrevski, J.; Mitsou, V. A.; Miucci, A.; Miyagawa, P. S.; Mjörnmark, J. U.; Moa, T.; Mochizuki, K.; Mohapatra, S.; Molander, S.; Moles-Valls, R.; Monden, R.; Mondragon, M. C.; Mönig, K.; Monk, J.; Monnier, E.; Montalbano, A.; Montejo Berlingen, J.; Monticelli, F.; Monzani, S.; Moore, R. W.; Morange, N.; Moreno, D.; Moreno Llácer, M.; Morettini, P.; Mori, D.; Mori, T.; Morii, M.; Morinaga, M.; Morisbak, V.; Moritz, S.; Morley, A. K.; Mornacchi, G.; Morris, J. D.; Mortensen, S. S.; Morvaj, L.; Mosidze, M.; Moss, J.; Motohashi, K.; Mount, R.; Mountricha, E.; Mouraviev, S. V.; Moyse, E. J. W.; Muanza, S.; Mudd, R. D.; Mueller, F.; Mueller, J.; Mueller, R. S. P.; Mueller, T.; Muenstermann, D.; Mullen, P.; Mullier, G. A.; Munoz Sanchez, F. J.; Murillo Quijada, J. A.; Murray, W. J.; Musheghyan, H.; Muškinja, M.; Myagkov, A. G.; Myska, M.; Nachman, B. P.; Nackenhorst, O.; Nagai, K.; Nagai, R.; Nagano, K.; Nagasaka, Y.; Nagata, K.; Nagel, M.; Nagy, E.; Nairz, A. M.; Nakahama, Y.; Nakamura, K.; Nakamura, T.; Nakano, I.; Namasivayam, H.; Naranjo Garcia, R. F.; Narayan, R.; Narrias Villar, D. I.; Naryshkin, I.; Naumann, T.; Navarro, G.; Nayyar, R.; Neal, H. A.; Nechaeva, P. Yu.; Neep, T. J.; Nef, P. D.; Negri, A.; Negrini, M.; Nektarijevic, S.; Nellist, C.; Nelson, A.; Nemecek, S.; Nemethy, P.; Nepomuceno, A. A.; Nessi, M.; Neubauer, M. S.; Neumann, M.; Neves, R. M.; Nevski, P.; Newman, P. R.; Nguyen, D. H.; Nguyen Manh, T.; Nickerson, R. B.; Nicolaidou, R.; Nielsen, J.; Nikiforov, A.; Nikolaenko, V.; Nikolic-Audit, I.; Nikolopoulos, K.; Nilsen, J. K.; Nilsson, P.; Ninomiya, Y.; Nisati, A.; Nisius, R.; Nobe, T.; Nodulman, L.; Nomachi, M.; Nomidis, I.; Nooney, T.; Norberg, S.; Nordberg, M.; Norjoharuddeen, N.; Novgorodova, O.; Nowak, S.; Nozaki, M.; Nozka, L.; Ntekas, K.; Nurse, E.; Nuti, F.; O'Grady, F.; O'Neil, D. C.; O'Rourke, A. A.; O'Shea, V.; Oakham, F. G.; Oberlack, H.; Obermann, T.; Ocariz, J.; Ochi, A.; Ochoa, I.; Ochoa-Ricoux, J. P.; Oda, S.; Odaka, S.; Ogren, H.; Oh, A.; Oh, S. H.; Ohm, C. C.; Ohman, H.; Oide, H.; Okawa, H.; Okumura, Y.; Okuyama, T.; Olariu, A.; Oleiro Seabra, L. F.; Olivares Pino, S. A.; Oliveira Damazio, D.; Olszewski, A.; Olszowska, J.; Onofre, A.; Onogi, K.; Onyisi, P. U. E.; Oreglia, M. J.; Oren, Y.; Orestano, D.; Orlando, N.; Orr, R. S.; Osculati, B.; Ospanov, R.; Otero Y Garzon, G.; Otono, H.; Ouchrif, M.; Ould-Saada, F.; Ouraou, A.; Oussoren, K. P.; Ouyang, Q.; Owen, M.; Owen, R. E.; Ozcan, V. E.; Ozturk, N.; Pachal, K.; Pacheco Pages, A.; Padilla Aranda, C.; Pagáčová, M.; Pagan Griso, S.; Paige, F.; Pais, P.; Pajchel, K.; Palacino, G.; Palestini, S.; Palka, M.; Pallin, D.; Palma, A.; St. Panagiotopoulou, E.; Pandini, C. E.; Panduro Vazquez, J. G.; Pani, P.; Panitkin, S.; Pantea, D.; Paolozzi, L.; Papadopoulou, Th. D.; Papageorgiou, K.; Paramonov, A.; Paredes Hernandez, D.; Parker, A. J.; Parker, M. A.; Parker, K. A.; Parodi, F.; Parsons, J. A.; Parzefall, U.; Pascuzzi, V. R.; Pasqualucci, E.; Passaggio, S.; Pastore, Fr.; Pásztor, G.; Pataraia, S.; Pater, J. R.; Pauly, T.; Pearce, J.; Pearson, B.; Pedersen, L. E.; Pedersen, M.; Pedraza Lopez, S.; Pedro, R.; Peleganchuk, S. V.; Pelikan, D.; Penc, O.; Peng, C.; Peng, H.; Penwell, J.; Peralva, B. S.; Perego, M. M.; Perepelitsa, D. V.; Perez Codina, E.; Perini, L.; Pernegger, H.; Perrella, S.; Peschke, R.; Peshekhonov, V. D.; Peters, K.; Peters, R. F. Y.; Petersen, B. A.; Petersen, T. C.; Petit, E.; Petridis, A.; Petridou, C.; Petroff, P.; Petrolo, E.; Petrov, M.; Petrucci, F.; Pettersson, N. E.; Peyaud, A.; Pezoa, R.; Phillips, P. W.; Piacquadio, G.; Pianori, E.; Picazio, A.; Piccaro, E.; Piccinini, M.; Pickering, M. A.; Piegaia, R.; Pilcher, J. E.; Pilkington, A. D.; Pin, A. W. J.; Pinamonti, M.; Pinfold, J. L.; Pingel, A.; Pires, S.; Pirumov, H.; Pitt, M.; Plazak, L.; Pleier, M.-A.; Pleskot, V.; Plotnikova, E.; Plucinski, P.; Pluth, D.; Poettgen, R.; Poggioli, L.; Pohl, D.; Polesello, G.; Poley, A.; Policicchio, A.; Polifka, R.; Polini, A.; Pollard, C. S.; Polychronakos, V.; Pommès, K.; Pontecorvo, L.; Pope, B. G.; Popeneciu, G. A.; Popovic, D. S.; Poppleton, A.; Pospisil, S.; Potamianos, K.; Potrap, I. N.; Potter, C. J.; Potter, C. T.; Poulard, G.; Poveda, J.; Pozdnyakov, V.; Pozo Astigarraga, M. E.; Pralavorio, P.; Pranko, A.; Prell, S.; Price, D.; Price, L. E.; Primavera, M.; Prince, S.; Proissl, M.; Prokofiev, K.; Prokoshin, F.; Protopopescu, S.; Proudfoot, J.; Przybycien, M.; Puddu, D.; Puldon, D.; Purohit, M.; Puzo, P.; Qian, J.; Qin, G.; Qin, Y.; Quadt, A.; Quayle, W. B.; Queitsch-Maitland, M.; Quilty, D.; Raddum, S.; Radeka, V.; Radescu, V.; Radhakrishnan, S. K.; Radloff, P.; Rados, P.; Ragusa, F.; Rahal, G.; Raine, J. A.; Rajagopalan, S.; Rammensee, M.; Rangel-Smith, C.; Ratti, M. G.; Rauscher, F.; Rave, S.; Ravenscroft, T.; Ravinovich, I.; Raymond, M.; Read, A. L.; Readioff, N. P.; Reale, M.; Rebuzzi, D. M.; Redelbach, A.; Redlinger, G.; Reece, R.; Reeves, K.; Rehnisch, L.; Reichert, J.; Reisin, H.; Rembser, C.; Ren, H.; Rescigno, M.; Resconi, S.; Rezanova, O. L.; Reznicek, P.; Rezvani, R.; Richter, R.; Richter, S.; Richter-Was, E.; Ricken, O.; Ridel, M.; Rieck, P.; Riegel, C. J.; Rieger, J.; Rifki, O.; Rijssenbeek, M.; Rimoldi, A.; Rimoldi, M.; Rinaldi, L.; Ristić, B.; Ritsch, E.; Riu, I.; Rizatdinova, F.; Rizvi, E.; Rizzi, C.; Robertson, S. H.; Robichaud-Veronneau, A.; Robinson, D.; Robinson, J. E. M.; Robson, A.; Roda, C.; Rodina, Y.; Rodriguez Perez, A.; Rodriguez Rodriguez, D.; Roe, S.; Rogan, C. S.; Røhne, O.; Romaniouk, A.; Romano, M.; Romano Saez, S. M.; Romero Adam, E.; Rompotis, N.; Ronzani, M.; Roos, L.; Ros, E.; Rosati, S.; Rosbach, K.; Rose, P.; Rosenthal, O.; Rosien, N.-A.; Rossetti, V.; Rossi, E.; Rossi, L. P.; Rosten, J. H. N.; Rosten, R.; Rotaru, M.; Roth, I.; Rothberg, J.; Rousseau, D.; Royon, C. R.; Rozanov, A.; Rozen, Y.; Ruan, X.; Rubbo, F.; Rudolph, M. S.; Rühr, F.; Ruiz-Martinez, A.; Rurikova, Z.; Rusakovich, N. A.; Ruschke, A.; Russell, H. L.; Rutherfoord, J. P.; Ruthmann, N.; Ryabov, Y. F.; Rybar, M.; Rybkin, G.; Ryu, S.; Ryzhov, A.; Rzehorz, G. F.; Saavedra, A. F.; Sabato, G.; Sacerdoti, S.; Sadrozinski, H. F.-W.; Sadykov, R.; Safai Tehrani, F.; Saha, P.; Sahinsoy, M.; Saimpert, M.; Saito, T.; Sakamoto, H.; Sakurai, Y.; Salamanna, G.; Salamon, A.; Salazar Loyola, J. E.; Salek, D.; Sales de Bruin, P. H.; Salihagic, D.; Salnikov, A.; Salt, J.; Salvatore, D.; Salvatore, F.; Salvucci, A.; Salzburger, A.; Sammel, D.; Sampsonidis, D.; Sanchez, A.; Sánchez, J.; Sanchez Martinez, V.; Sandaker, H.; Sandbach, R. L.; Sander, H. G.; Sandhoff, M.; Sandoval, C.; Sandstroem, R.; Sankey, D. P. C.; Sannino, M.; Sansoni, A.; Santoni, C.; Santonico, R.; Santos, H.; Santoyo Castillo, I.; Sapp, K.; Sapronov, A.; Saraiva, J. G.; Sarrazin, B.; Sasaki, O.; Sasaki, Y.; Sato, K.; Sauvage, G.; Sauvan, E.; Savage, G.; Savard, P.; Sawyer, C.; Sawyer, L.; Saxon, J.; Sbarra, C.; Sbrizzi, A.; Scanlon, T.; Scannicchio, D. A.; Scarcella, M.; Scarfone, V.; Schaarschmidt, J.; Schacht, P.; Schachtner, B. M.; Schaefer, D.; Schaefer, R.; Schaeffer, J.; Schaepe, S.; Schaetzel, S.; Schäfer, U.; Schaffer, A. C.; Schaile, D.; Schamberger, R. D.; Scharf, V.; Schegelsky, V. A.; Scheirich, D.; Schernau, M.; Schiavi, C.; Schier, S.; Schillo, C.; Schioppa, M.; Schlenker, S.; Schmidt-Sommerfeld, K. R.; Schmieden, K.; Schmitt, C.; Schmitt, S.; Schmitz, S.; Schneider, B.; Schnoor, U.; Schoeffel, L.; Schoening, A.; Schoenrock, B. D.; Schopf, E.; Schott, M.; Schovancova, J.; Schramm, S.; Schreyer, M.; Schuh, N.; Schultens, M. J.; Schultz-Coulon, H.-C.; Schulz, H.; Schumacher, M.; Schumm, B. A.; Schune, Ph.; Schwartzman, A.; Schwarz, T. A.; Schwegler, Ph.; Schweiger, H.; Schwemling, Ph.; Schwienhorst, R.; Schwindling, J.; Schwindt, T.; Sciolla, G.; Scuri, F.; Scutti, F.; Searcy, J.; Seema, P.; Seidel, S. C.; Seiden, A.; Seifert, F.; Seixas, J. M.; Sekhniaidze, G.; Sekhon, K.; Sekula, S. J.; Seliverstov, D. M.; Semprini-Cesari, N.; Serfon, C.; Serin, L.; Serkin, L.; Sessa, M.; Seuster, R.; Severini, H.; Sfiligoj, T.; Sforza, F.; Sfyrla, A.; Shabalina, E.; Shaikh, N. W.; Shan, L. Y.; Shang, R.; Shank, J. T.; Shapiro, M.; Shatalov, P. B.; Shaw, K.; Shaw, S. M.; Shcherbakova, A.; Shehu, C. Y.; Sherwood, P.; Shi, L.; Shimizu, S.; Shimmin, C. O.; Shimojima, M.; Shiyakova, M.; Shmeleva, A.; Shoaleh Saadi, D.; Shochet, M. J.; Shojaii, S.; Shrestha, S.; Shulga, E.; Shupe, M. A.; Sicho, P.; Sickles, A. M.; Sidebo, P. E.; Sidiropoulou, O.; Sidorov, D.; Sidoti, A.; Siegert, F.; Sijacki, Dj.; Silva, J.; Silverstein, S. B.; Simak, V.; Simard, O.; Simic, Lj.; Simion, S.; Simioni, E.; Simmons, B.; Simon, D.; Simon, M.; Sinervo, P.; Sinev, N. B.; Sioli, M.; Siragusa, G.; Sivoklokov, S. Yu.; Sjölin, J.; Sjursen, T. B.; Skinner, M. B.; Skottowe, H. P.; Skubic, P.; Slater, M.; Slavicek, T.; Slawinska, M.; Sliwa, K.; Slovak, R.; Smakhtin, V.; Smart, B. H.; Smestad, L.; Smiesko, J.; Smirnov, S. Yu.; Smirnov, Y.; Smirnova, L. N.; Smirnova, O.; Smith, M. N. K.; Smith, R. W.; Smizanska, M.; Smolek, K.; Snesarev, A. A.; Snyder, S.; Sobie, R.; Socher, F.; Soffer, A.; Soh, D. A.; Sokhrannyi, G.; Solans Sanchez, C. A.; Solar, M.; Soldatov, E. Yu.; Soldevila, U.; Solodkov, A. A.; Soloshenko, A.; Solovyanov, O. V.; Solovyev, V.; Sommer, P.; Son, H.; Song, H. Y.; Sood, A.; Sopczak, A.; Sopko, V.; Sorin, V.; Sosa, D.; Sotiropoulou, C. L.; Soualah, R.; Soukharev, A. M.; South, D.; Sowden, B. C.; Spagnolo, S.; Spalla, M.; Spangenberg, M.; Spanò, F.; Sperlich, D.; Spettel, F.; Spighi, R.; Spigo, G.; Spiller, L. A.; Spousta, M.; St. Denis, R. D.; Stabile, A.; Stamen, R.; Stamm, S.; Stanecka, E.; Stanek, R. W.; Stanescu, C.; Stanescu-Bellu, M.; Stanitzki, M. M.; Stapnes, S.; Starchenko, E. A.; Stark, G. H.; Stark, J.; Staroba, P.; Starovoitov, P.; Stärz, S.; Staszewski, R.; Steinberg, P.; Stelzer, B.; Stelzer, H. J.; Stelzer-Chilton, O.; Stenzel, H.; Stewart, G. A.; Stillings, J. A.; Stockton, M. C.; Stoebe, M.; Stoicea, G.; Stolte, P.; Stonjek, S.; Stradling, A. R.; Straessner, A.; Stramaglia, M. E.; Strandberg, J.; Strandberg, S.; Strandlie, A.; Strauss, M.; Strizenec, P.; Ströhmer, R.; Strom, D. M.; Stroynowski, R.; Strubig, A.; Stucci, S. A.; Stugu, B.; Styles, N. A.; Su, D.; Su, J.; Subramaniam, R.; Suchek, S.; Sugaya, Y.; Suk, M.; Sulin, V. V.; Sultansoy, S.; Sumida, T.; Sun, S.; Sun, X.; Sundermann, J. E.; Suruliz, K.; Susinno, G.; Sutton, M. R.; Suzuki, S.; Svatos, M.; Swiatlowski, M.; Sykora, I.; Sykora, T.; Ta, D.; Taccini, C.; Tackmann, K.; Taenzer, J.; Taffard, A.; Tafirout, R.; Taiblum, N.; Takai, H.; Takashima, R.; Takeshita, T.; Takubo, Y.; Talby, M.; Talyshev, A. A.; Tan, K. G.; Tanaka, J.; Tanaka, R.; Tanaka, S.; Tannenwald, B. B.; Tapia Araya, S.; Tapprogge, S.; Tarem, S.; Tartarelli, G. F.; Tas, P.; Tasevsky, M.; Tashiro, T.; Tassi, E.; Tavares Delgado, A.; Tayalati, Y.; Taylor, A. C.; Taylor, G. N.; Taylor, P. T. E.; Taylor, W.; Teischinger, F. A.; Teixeira-Dias, P.; Temming, K. K.; Temple, D.; Ten Kate, H.; Teng, P. K.; Teoh, J. J.; Tepel, F.; Terada, S.; Terashi, K.; Terron, J.; Terzo, S.; Testa, M.; Teuscher, R. J.; Theveneaux-Pelzer, T.; Thomas, J. P.; Thomas-Wilsker, J.; Thompson, E. N.; Thompson, P. D.; Thompson, A. S.; Thomsen, L. A.; Thomson, E.; Thomson, M.; Tibbetts, M. J.; Ticse Torres, R. E.; Tikhomirov, V. O.; Tikhonov, Yu. A.; Timoshenko, S.; Tipton, P.; Tisserant, S.; Todome, K.; Todorov, T.; Todorova-Nova, S.; Tojo, J.; Tokár, S.; Tokushuku, K.; Tolley, E.; Tomlinson, L.; Tomoto, M.; Tompkins, L.; Toms, K.; Tong, B.; Torrence, E.; Torres, H.; Torró Pastor, E.; Toth, J.; Touchard, F.; Tovey, D. R.; Trefzger, T.; Tricoli, A.; Trigger, I. M.; Trincaz-Duvoid, S.; Tripiana, M. F.; Trischuk, W.; Trocmé, B.; Trofymov, A.; Troncon, C.; Trottier-McDonald, M.; Trovatelli, M.; Truong, L.; Trzebinski, M.; Trzupek, A.; Tseng, J. C.-L.; Tsiareshka, P. V.; Tsipolitis, G.; Tsirintanis, N.; Tsiskaridze, S.; Tsiskaridze, V.; Tskhadadze, E. G.; Tsui, K. M.; Tsukerman, I. I.; Tsulaia, V.; Tsuno, S.; Tsybychev, D.; Tudorache, A.; Tudorache, V.; Tuna, A. N.; Tupputi, S. A.; Turchikhin, S.; Turecek, D.; Turgeman, D.; Turra, R.; Turvey, A. J.; Tuts, P. M.; Tyndel, M.; Ucchielli, G.; Ueda, I.; Ueno, R.; Ughetto, M.; Ukegawa, F.; Unal, G.; Undrus, A.; Unel, G.; Ungaro, F. C.; Unno, Y.; Unverdorben, C.; Urban, J.; Urquijo, P.; Urrejola, P.; Usai, G.; Usanova, A.; Vacavant, L.; Vacek, V.; Vachon, B.; Valderanis, C.; Valdes Santurio, E.; Valencic, N.; Valentinetti, S.; Valero, A.; Valery, L.; Valkar, S.; Vallecorsa, S.; Valls Ferrer, J. A.; van den Wollenberg, W.; van der Deijl, P. C.; van der Geer, R.; van der Graaf, H.; van Eldik, N.; van Gemmeren, P.; van Nieuwkoop, J.; van Vulpen, I.; van Woerden, M. C.; Vanadia, M.; Vandelli, W.; Vanguri, R.; Vaniachine, A.; Vankov, P.; Vardanyan, G.; Vari, R.; Varnes, E. W.; Varol, T.; Varouchas, D.; Vartapetian, A.; Varvell, K. E.; Vasquez, J. G.; Vazeille, F.; Vazquez Schroeder, T.; Veatch, J.; Veloce, L. M.; Veloso, F.; Veneziano, S.; Ventura, A.; Venturi, M.; Venturi, N.; Venturini, A.; Vercesi, V.; Verducci, M.; Verkerke, W.; Vermeulen, J. C.; Vest, A.; Vetterli, M. C.; Viazlo, O.; Vichou, I.; Vickey, T.; Vickey Boeriu, O. E.; Viehhauser, G. H. A.; Viel, S.; Vigani, L.; Vigne, R.; Villa, M.; Villaplana Perez, M.; Vilucchi, E.; Vincter, M. G.; Vinogradov, V. B.; Vittori, C.; Vivarelli, I.; Vlachos, S.; Vlasak, M.; Vogel, M.; Vokac, P.; Volpi, G.; Volpi, M.; von der Schmitt, H.; von Toerne, E.; Vorobel, V.; Vorobev, K.; Vos, M.; Voss, R.; Vossebeld, J. H.; Vranjes, N.; Vranjes Milosavljevic, M.; Vrba, V.; Vreeswijk, M.; Vuillermet, R.; Vukotic, I.; Vykydal, Z.; Wagner, P.; Wagner, W.; Wahlberg, H.; Wahrmund, S.; Wakabayashi, J.; Walder, J.; Walker, R.; Walkowiak, W.; Wallangen, V.; Wang, C.; Wang, C.; Wang, F.; Wang, H.; Wang, H.; Wang, J.; Wang, J.; Wang, K.; Wang, R.; Wang, S. M.; Wang, T.; Wang, T.; Wang, W.; Wang, X.; Wanotayaroj, C.; Warburton, A.; Ward, C. P.; Wardrope, D. R.; Washbrook, A.; Watkins, P. M.; Watson, A. T.; Watson, M. F.; Watts, G.; Watts, S.; Waugh, B. M.; Webb, S.; Weber, M. S.; Weber, S. W.; Webster, J. S.; Weidberg, A. R.; Weinert, B.; Weingarten, J.; Weiser, C.; Weits, H.; Wells, P. S.; Wenaus, T.; Wengler, T.; Wenig, S.; Wermes, N.; Werner, M.; Werner, P.; Wessels, M.; Wetter, J.; Whalen, K.; Whallon, N. L.; Wharton, A. M.; White, A.; White, M. J.; White, R.; Whiteson, D.; Wickens, F. J.; Wiedenmann, W.; Wielers, M.; Wienemann, P.; Wiglesworth, C.; Wiik-Fuchs, L. A. M.; Wildauer, A.; Wilk, F.; Wilkens, H. G.; Williams, H. H.; Williams, S.; Willis, C.; Willocq, S.; Wilson, J. A.; Wingerter-Seez, I.; Winklmeier, F.; Winston, O. J.; Winter, B. T.; Wittgen, M.; Wittkowski, J.; Wollstadt, S. J.; Wolter, M. W.; Wolters, H.; Wosiek, B. K.; Wotschack, J.; Woudstra, M. J.; Wozniak, K. W.; Wu, M.; Wu, M.; Wu, S. L.; Wu, X.; Wu, Y.; Wyatt, T. R.; Wynne, B. M.; Xella, S.; Xu, D.; Xu, L.; Yabsley, B.; Yacoob, S.; Yakabe, R.; Yamaguchi, D.; Yamaguchi, Y.; Yamamoto, A.; Yamamoto, S.; Yamanaka, T.; Yamauchi, K.; Yamazaki, Y.; Yan, Z.; Yang, H.; Yang, H.; Yang, Y.; Yang, Z.; Yao, W.-M.; Yap, Y. C.; Yasu, Y.; Yatsenko, E.; Yau Wong, K. H.; Ye, J.; Ye, S.; Yeletskikh, I.; Yen, A. L.; Yildirim, E.; Yorita, K.; Yoshida, R.; Yoshihara, K.; Young, C.; Young, C. J. S.; Youssef, S.; Yu, D. R.; Yu, J.; Yu, J. M.; Yu, J.; Yuan, L.; Yuen, S. P. Y.; Yusuff, I.; Zabinski, B.; Zaidan, R.; Zaitsev, A. M.; Zakharchuk, N.; Zalieckas, J.; Zaman, A.; Zambito, S.; Zanello, L.; Zanzi, D.; Zeitnitz, C.; Zeman, M.; Zemla, A.; Zeng, J. C.; Zeng, Q.; Zengel, K.; Zenin, O.; Ženiš, T.; Zerwas, D.; Zhang, D.; Zhang, F.; Zhang, G.; Zhang, H.; Zhang, J.; Zhang, L.; Zhang, R.; Zhang, R.; Zhang, X.; Zhang, Z.; Zhao, X.; Zhao, Y.; Zhao, Z.; Zhemchugov, A.; Zhong, J.; Zhou, B.; Zhou, C.; Zhou, L.; Zhou, L.; Zhou, M.; Zhou, N.; Zhu, C. G.; Zhu, H.; Zhu, J.; Zhu, Y.; Zhuang, X.; Zhukov, K.; Zibell, A.; Zieminska, D.; Zimine, N. I.; Zimmermann, C.; Zimmermann, S.; Zinonos, Z.; Zinser, M.; Ziolkowski, M.; Živković, L.; Zobernig, G.; Zoccoli, A.; Zur Nedden, M.; Zurzolo, G.; Zwalinski, L.; Atlas Collaboration

2016-12-01

Measurements of the per-event charged-particle yield as a function of the charged-particle transverse momentum and rapidity are performed using p + Pb collision data collected by the ATLAS experiment at the LHC at a centre-of-mass energy of √{sNN} = 5.02TeV. Charged particles are reconstructed over pseudorapidity | η | < 2.3 and transverse momentum between 0.1 GeV and 22 GeV in a dataset corresponding to an integrated luminosity of 1 μb-1. The results are presented in the form of charged-particle nuclear modification factors, where the p + Pb charged-particle multiplicities are compared between central and peripheral p + Pb collisions as well as to charged-particle cross sections measured in pp collisions. The p + Pb collision centrality is characterized by the total transverse energy measured in - 4.9 < η < - 3.1, which is in the direction of the outgoing lead beam. Three different estimations of the number of nucleons participating in the p + Pb collision are carried out using the Glauber model and two Glauber-Gribov colour-fluctuation extensions to the Glauber model. The values of the nuclear modification factors are found to vary significantly as a function of rapidity and transverse momentum. A broad peak is observed for all centralities and rapidities in the nuclear modification factors for charged-particle transverse momentum values around 3 GeV. The magnitude of the peak increases for more central collisions as well as rapidity ranges closer to the direction of the outgoing lead nucleus.

Inverse Ising problem in continuous time: A latent variable approach

NASA Astrophysics Data System (ADS)

Donner, Christian; Opper, Manfred

2017-12-01

We consider the inverse Ising problem: the inference of network couplings from observed spin trajectories for a model with continuous time Glauber dynamics. By introducing two sets of auxiliary latent random variables we render the likelihood into a form which allows for simple iterative inference algorithms with analytical updates. The variables are (1) Poisson variables to linearize an exponential term which is typical for point process likelihoods and (2) Pólya-Gamma variables, which make the likelihood quadratic in the coupling parameters. Using the augmented likelihood, we derive an expectation-maximization (EM) algorithm to obtain the maximum likelihood estimate of network parameters. Using a third set of latent variables we extend the EM algorithm to sparse couplings via L1 regularization. Finally, we develop an efficient approximate Bayesian inference algorithm using a variational approach. We demonstrate the performance of our algorithms on data simulated from an Ising model. For data which are simulated from a more biologically plausible network with spiking neurons, we show that the Ising model captures well the low order statistics of the data and how the Ising couplings are related to the underlying synaptic structure of the simulated network.

(3+1)D Quasiparticle Anisotropic Hydrodynamics for Ultrarelativistic Heavy-Ion Collisions.

PubMed

Alqahtani, Mubarak; Nopoush, Mohammad; Ryblewski, Radoslaw; Strickland, Michael

2017-07-28

We present the first comparisons of experimental data with phenomenological results from (3+1)D quasiparticle anisotropic hydrodynamics (aHydroQP). We compare particle spectra, average transverse momentum, and elliptic flow. The dynamical equations used for the hydrodynamic stage utilize aHydroQP, which naturally includes both shear and bulk viscous effects. The (3+1)D aHydroQP evolution obtained is self-consistently converted to hadrons using anisotropic Cooper-Frye freeze-out. Hadron production and decays are modeled using a customized version of therminator 2. In this first study, we utilized smooth Glauber-type initial conditions and a single effective freeze-out temperature T_{FO}=130  MeV with all hadronic species in full chemical equilibrium. With this rather simple setup, we find a very good description of many heavy-ion observables.

On the importance of an accurate representation of the initial state of the system in classical dynamics simulations

NASA Astrophysics Data System (ADS)

García-Vela, A.

2000-05-01

A definition of a quantum-type phase-space distribution is proposed in order to represent the initial state of the system in a classical dynamics simulation. The central idea is to define an initial quantum phase-space state of the system as the direct product of the coordinate and momentum representations of the quantum initial state. The phase-space distribution is then obtained as the square modulus of this phase-space state. The resulting phase-space distribution closely resembles the quantum nature of the system initial state. The initial conditions are sampled with the distribution, using a grid technique in phase space. With this type of sampling the distribution of initial conditions reproduces more faithfully the shape of the original phase-space distribution. The method is applied to generate initial conditions describing the three-dimensional state of the Ar-HCl cluster prepared by ultraviolet excitation. The photodissociation dynamics is simulated by classical trajectories, and the results are compared with those of a wave packet calculation. The classical and quantum descriptions are found in good agreement for those dynamical events less subject to quantum effects. The classical result fails to reproduce the quantum mechanical one for the more strongly quantum features of the dynamics. The properties and applicability of the phase-space distribution and the sampling technique proposed are discussed.

Abrasion-ablation model for neutron production in heavy ion reactions

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.; Wilson, John W.; Townsend, Lawrence W.

1995-01-01

In heavy ion reactions, neutron production at forward angles is observed to occur with a Gaussian shape that is centered near the beam energy and extends to energies well above that of the beam. This paper presents an abrasion-ablation model for making quantitative predictions of the neutron spectrum. To describe neutrons produced from the abrasion step of the reaction where the projectile and target overlap, the authors use the Glauber model and include effects of final-state interactions. They then use the prefragment mass distribution from abrasion with a statistical evaporation model to estimate the neutron spectrum resulting from ablation. Measurements of neutron production from Ne and Nb beams are compared with calculations, and good agreement is found.

Survey of A{sub LT'} asymmetries in semi-exclusive electron scattering on He4 and C12

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

Dan Protopopescu; et. Al.

2005-02-21

Single spin azimuthal asymmetries A{sub LT'} were measured at Jefferson Lab using 2.2 and 4.4 GeV longitudinally polarized electrons incident on {sup 4}He and {sup 12}C targets in the CLAS detector. A{sub LT'} is related to the imaginary part of the longitudinal-transverse interference and in quasifree nucleon knockout it provides an unambiguous signature for final state interactions (FSI). Experimental values of A{sub LT'} were found to be below 5%, typically |A{sub LT'}| < 3% for data with good statistical precision. Optical Model in Eikonal Approximation (OMEA) and Relativistic Multiple-Scattering Glauber Approximation (RMSGA) calculations are shown to be consistent with themore » measured asymmetries.« less

Intercomparison of methods of coupling between convection and large-scale circulation. 1. Comparison over uniform surface conditions

DOE PAGES

Daleu, C. L.; Plant, R. S.; Woolnough, S. J.; ...

2015-10-24

Here, as part of an international intercomparison project, a set of single-column models (SCMs) and cloud-resolving models (CRMs) are run under the weak-temperature gradient (WTG) method and the damped gravity wave (DGW) method. For each model, the implementation of the WTG or DGW method involves a simulated column which is coupled to a reference state defined with profiles obtained from the same model in radiative-convective equilibrium. The simulated column has the same surface conditions as the reference state and is initialized with profiles from the reference state. We performed systematic comparison of the behavior of different models under a consistentmore » implementation of the WTG method and the DGW method and systematic comparison of the WTG and DGW methods in models with different physics and numerics. CRMs and SCMs produce a variety of behaviors under both WTG and DGW methods. Some of the models reproduce the reference state while others sustain a large-scale circulation which results in either substantially lower or higher precipitation compared to the value of the reference state. CRMs show a fairly linear relationship between precipitation and circulation strength. SCMs display a wider range of behaviors than CRMs. Some SCMs under the WTG method produce zero precipitation. Within an individual SCM, a DGW simulation and a corresponding WTG simulation can produce different signed circulation. When initialized with a dry troposphere, DGW simulations always result in a precipitating equilibrium state. The greatest sensitivities to the initial moisture conditions occur for multiple stable equilibria in some WTG simulations, corresponding to either a dry equilibrium state when initialized as dry or a precipitating equilibrium state when initialized as moist. Multiple equilibria are seen in more WTG simulations for higher SST. In some models, the existence of multiple equilibria is sensitive to some parameters in the WTG calculations.« less

Discovering Qualitative Empirical Laws.

DTIC Science & Technology

1985-07-15

the tasks of conceptual clustering and language acquisition.- However, let us first review briefly some events from the history of science , since it...was qtr interest in this area that led us to construct GLAUBER. - < - Upon examining the history of science , one finds that the discovery of

Light scattering methods to test inorganic PCMs for application in buildings

NASA Astrophysics Data System (ADS)

De Paola, M. G.; Calabrò, V.; De Simone, M.

2017-10-01

Thermal performance and stability over time are key parameters for the characterization and application of PCMs in the building sector. Generally, inorganic PCMs are dispersions of hydrated salts and additives in water that counteract phase segregation phenomena and subcooling. Traditional methods or in “house” methods can be used for evaluating thermal properties, while stability can be estimated over time by using optical techniques. By considering this double approach, in this work thermal and structural analyses of Glauber salt based composite PCMs are conducted by means of non-conventional equipment: T-history method (thermal analysis) and Turbiscan (stability analysis). Three samples with the same composition (Glauber salt with additives) were prepared by using different sonication times and their thermal performances were compared by testing both the thermal cycling and the thermal properties. The stability of the mixtures was verified by the identification of destabilization phenomena, the evaluation of the migration velocities of particles and the estimation of variation of particle size.

Construction of phase diagrams for nanoscaled Ising thin films on the honeycomb lattice using cellular automata simulation approach

NASA Astrophysics Data System (ADS)

Ghaemi, Mehrdad; Javadi, Nabi

2017-11-01

The phase diagrams of the three-layer Ising model on the honeycomb lattice with a diluted surface have been constructed using the probabilistic cellular automata based on Glauber algorithm. The effects of the exchange interactions on the phase diagrams have been investigated. A general mathematical expression for the critical temperature is obtained in terms of relative coupling r = J1/J and Δs = (Js/J) - 1, where J and Js represent the nearest neighbor coupling within inner- and surface-layers, respectively, and each magnetic site in the surface-layer is coupled with the nearest neighbor site in the inner-layer via the exchange coupling J1. In the case of antiferromagnetic coupling between surface-layer and inner-layer, system reveals many interesting phenomena, such as the possibility of existence of compensation line before the critical temperature.

Monthly mean simulation experiments with a course-mesh global atmospheric model

NASA Technical Reports Server (NTRS)

Spar, J.; Klugman, R.; Lutz, R. J.; Notario, J. J.

1978-01-01

Substitution of observed monthly mean sea-surface temperatures (SSTs) as lower boundary conditions, in place of climatological SSTs, failed to improve the model simulations. While the impact of SST anomalies on the model output is greater at sea level than at upper levels the impact on the monthly mean simulations is not beneficial at any level. Shifts of one and two days in initialization time produced small, but non-trivial, changes in the model-generated monthly mean synoptic fields. No improvements in the mean simulations resulted from the use of either time-averaged initial data or re-initialization with time-averaged early model output. The noise level of the model, as determined from a multiple initial state perturbation experiment, was found to be generally low, but with a noisier response to initial state errors in high latitudes than the tropics.

Simulation of the elementary evolution operator with the motional states of an ion in an anharmonic trap

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

Santos, Ludovic; Vaeck, Nathalie; Justum, Yves

2015-04-07

Following a recent proposal of L. Wang and D. Babikov [J. Chem. Phys. 137, 064301 (2012)], we theoretically illustrate the possibility of using the motional states of a Cd{sup +} ion trapped in a slightly anharmonic potential to simulate the single-particle time-dependent Schrödinger equation. The simulated wave packet is discretized on a spatial grid and the grid points are mapped on the ion motional states which define the qubit network. The localization probability at each grid point is obtained from the population in the corresponding motional state. The quantum gate is the elementary evolution operator corresponding to the time-dependent Schrödingermore » equation of the simulated system. The corresponding matrix can be estimated by any numerical algorithm. The radio-frequency field which is able to drive this unitary transformation among the qubit states of the ion is obtained by multi-target optimal control theory. The ion is assumed to be cooled in the ground motional state, and the preliminary step consists in initializing the qubits with the amplitudes of the initial simulated wave packet. The time evolution of the localization probability at the grids points is then obtained by successive applications of the gate and reading out the motional state population. The gate field is always identical for a given simulated potential, only the field preparing the initial wave packet has to be optimized for different simulations. We check the stability of the simulation against decoherence due to fluctuating electric fields in the trap electrodes by applying dissipative Lindblad dynamics.« less

Violation of Bell's inequalities in quantum optics

NASA Technical Reports Server (NTRS)

Reid, M. D.; Walls, D. F.

1984-01-01

An optical field produced by intracavity four-wave mixing is shown to exhibit the following nonclassical features: photon antibunching, squeezing, and violation of Cauchy-Schwarz and Bell's inequalities. These intrinsic quantum mechanical effects are shown to be associated with the nonexistence of a positive normalizable Glauber-Sudarshan P function.

A critical review of RHIC experimental results

NASA Astrophysics Data System (ADS)

Trainor, Thomas A.

2014-07-01

The relativistic heavy-ion collider (RHIC) was constructed to achieve an asymptotic state of nuclear matter in heavy-ion collisions, a near-ideal gas of deconfined quarks and gluons denoted quark-gluon plasma or QGP. RHIC collisions are indeed very different from the hadronic processes observed at the Bevalac and AGS, but high-energy elementary-collision mechanisms are also non-hadronic. The two-component model (TCM) combines measured properties of elementary collisions with the Glauber eikonal model to provide an alternative asymptotic limit for A-A collisions. RHIC data have been interpreted to indicate formation of a strongly-coupled QGP (sQGP) or "perfect liquid". In this review, I consider the experimental evidence that seems to support such conclusions and alternative evidence that may conflict with those conclusions and suggest different interpretations.

Monte Carlo calculations of diatomic molecule gas flows including rotational mode excitation

NASA Technical Reports Server (NTRS)

Yoshikawa, K. K.; Itikawa, Y.

1976-01-01

The direct simulation Monte Carlo method was used to solve the Boltzmann equation for flows of an internally excited nonequilibrium gas, namely, of rotationally excited homonuclear diatomic nitrogen. The semi-classical transition probability model of Itikawa was investigated for its ability to simulate flow fields far from equilibrium. The behavior of diatomic nitrogen was examined for several different nonequilibrium initial states that are subjected to uniform mean flow without boundary interactions. A sample of 1000 model molecules was observed as the gas relaxed to a steady state starting from three specified initial states. The initial states considered are: (1) complete equilibrium, (2) nonequilibrium, equipartition (all rotational energy states are assigned the mean energy level obtained at equilibrium with a Boltzmann distribution at the translational temperature), and (3) nonequipartition (the mean rotational energy is different from the equilibrium mean value with respect to the translational energy states). In all cases investigated the present model satisfactorily simulated the principal features of the relaxation effects in nonequilibrium flow of diatomic molecules.

Mesoscale research activities with the LAMPS model

NASA Technical Reports Server (NTRS)

Kalb, M. W.

1985-01-01

Researchers achieved full implementation of the LAMPS mesoscale model on the Atmospheric Sciences Division computer and derived balanced and real wind initial states for three case studies: March 6, April 24, April 26, 1982. Numerical simulations were performed for three separate studies: (1) a satellite moisture data impact study using Vertical Atmospheric Sounder (VAS) precipitable water as a constraint on model initial state moisture analyses; (2) an evaluation of mesoscale model precipitation simulation accuracy with and without convective parameterization; and (3) the sensitivity of model precipitation to mesoscale detail of moisture and vertical motion in an initial state.

Micro-Hall magnetometry on a Co-organic chain compound

NASA Astrophysics Data System (ADS)

Rolland, L.; Simonet, V.; Wernsdorfer, W.; Bogani, L.; Sessoli, R.

2004-05-01

The static and dynamical properties of Co-organic chains, with strong magnetic anisotropy, are studied by micro-Hall magnetometry. The low-temperature hysteresis cycles are discussed with respect to the helical structure of the chains. Thermally activated relaxation of the magnetization is observed, compatible with the Glauber model for a 1D Ising system.

Elastic scattering, polarization and absorption of relativistic antiprotons on nuclei

NASA Astrophysics Data System (ADS)

Larionov, A. B.; Lenske, H.

2017-01-01

We perform Glauber model calculations of the antiproton-nucleus elastic and quasielastic scattering and absorption in the beam momentum range ∼ 0.5 ÷ 10 GeV / c. A good agreement of our calculations with available LEAR data and with earlier Glauber model studies of the p bar A elastic scattering allows us to make predictions at the beam momenta of ∼10 GeV/c, i.e. at the regime of the PANDA experiment at FAIR. The comparison with the proton-nucleus elastic scattering cross sections shows that the diffractive minima are much deeper in the p bar A case due to smaller absolute value of the ratio of the real-to-imaginary part of the elementary elastic amplitude. Significant polarization signal for p bar A elastic scattering at 10 GeV/c is expected. We have also revealed a strong dependence of the p bar A absorption cross section on the slope parameter of the transverse momentum dependence of the elementary p bar N amplitude. The p bar A optical potential is discussed.

Initial state with shear in peripheral heavy ion collisions

NASA Astrophysics Data System (ADS)

Magas, V. K.; Gordillo, J.; Strottman, D.; Xie, Y. L.; Csernai, L. P.

2018-06-01

In the present work we propose a new way of constructing the initial state for further hydrodynamic simulation of relativistic heavy ion collisions based on Bjorken-like solution applied streak by streak in the transverse plane. Previous fluid dynamical calculations in Cartesian coordinates with an initial state based on a streak by streak Yang-Mills field led for peripheral higher energy collisions to large angular momentum, initial shear flow and significant local vorticity. Recent experiments verified the existence of this vorticity via the resulting polarization of emitted Λ and Λ ¯ particles. At the same time parton cascade models indicated the existence of more compact initial state configurations, which we are going to simulate in our approach. The proposed model satisfies all the conservation laws, including conservation of a strong initial angular momentum, which is present in noncentral collisions. As a consequence of this large initial angular momentum we observe the rotation of the whole system as well as the fluid shear in the initial state, which leads to large flow vorticity. Another advantage of the proposed model is that the initial state can be given in both [t,x,y,z] and [τ ,x ,y ,η ] coordinates and thus can be tested by all 3+1D hydrodynamical codes which exist in the field.

A generic multibody simulation

NASA Technical Reports Server (NTRS)

Hopping, K. A.; Kohn, W.

1986-01-01

Described is a dynamic simulation package which can be configured for orbital test scenarios involving multiple bodies. The rotational and translational state integration methods are selectable for each individual body and may be changed during a run if necessary. Characteristics of the bodies are determined by assigning components consisting of mass properties, forces, and moments, which are the outputs of user-defined environmental models. Generic model implementation is facilitated by a transformation processor which performs coordinate frame inversions. Transformations are defined in the initialization file as part of the simulation configuration. The simulation package includes an initialization processor, which consists of a command line preprocessor, a general purpose grammar, and a syntax scanner. These permit specifications of the bodies, their interrelationships, and their initial states in a format that is not dependent on a particular test scenario.

The Adiabatic Invariant of the n-Degree-of-Freedom Harmonic Oscillator

ERIC Educational Resources Information Center

Devaud, M.; Leroy, V.; Bacri, J.-C.; Hocquet, T.

2008-01-01

In this graduate-level theoretical paper, we propose a general derivation of the adiabatic invariant of the n-degree-of-freedom harmonic oscillator, available whichever the physical nature of the oscillator and of the parametrical excitation it undergoes. This derivation is founded on the use of the classical Glauber variables and ends up with…

21 CFR 186.1797 - Sodium sulfate.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Sodium sulfate. 186.1797 Section 186.1797 Food and....1797 Sodium sulfate. (a) Sodium sulfate (Na2SO4, CAS Reg. No. 7757-82-6), also known as Glauber's salt... by the neutralization of sulfuric acid with sodium hydroxide. (b) The ingredient is used as a...

Unpredictable convection in a small box: Molecular-dynamics experiments

NASA Astrophysics Data System (ADS)

Rapaport, D. C.

1992-08-01

The Rayleigh-Bénard problem has been studied using discrete-particle simulation of a two-dimensional fluid in a square box. The presence of temporal periodicity in the convective roll structure was observed, but, more significantly, different simulation runs under identical conditions but with initial states that differed in ways that are seemingly irrelevant at the macroscopic level exhibited very different forms of pattern evolution. The final state always consisted of a horizontally adjacent pair of rolls, but not all initial states evolved to produce well-established periodic behavior, despite the fact that very long runs were undertaken. Results for both hard- and soft-disk fluids are described; the simulations included systems with over 105 particles.

Analysis of gene network robustness based on saturated fixed point attractors

PubMed Central

2014-01-01

The analysis of gene network robustness to noise and mutation is important for fundamental and practical reasons. Robustness refers to the stability of the equilibrium expression state of a gene network to variations of the initial expression state and network topology. Numerical simulation of these variations is commonly used for the assessment of robustness. Since there exists a great number of possible gene network topologies and initial states, even millions of simulations may be still too small to give reliable results. When the initial and equilibrium expression states are restricted to being saturated (i.e., their elements can only take values 1 or −1 corresponding to maximum activation and maximum repression of genes), an analytical gene network robustness assessment is possible. We present this analytical treatment based on determination of the saturated fixed point attractors for sigmoidal function models. The analysis can determine (a) for a given network, which and how many saturated equilibrium states exist and which and how many saturated initial states converge to each of these saturated equilibrium states and (b) for a given saturated equilibrium state or a given pair of saturated equilibrium and initial states, which and how many gene networks, referred to as viable, share this saturated equilibrium state or the pair of saturated equilibrium and initial states. We also show that the viable networks sharing a given saturated equilibrium state must follow certain patterns. These capabilities of the analytical treatment make it possible to properly define and accurately determine robustness to noise and mutation for gene networks. Previous network research conclusions drawn from performing millions of simulations follow directly from the results of our analytical treatment. Furthermore, the analytical results provide criteria for the identification of model validity and suggest modified models of gene network dynamics. The yeast cell-cycle network is used as an illustration of the practical application of this analytical treatment. PMID:24650364

Initialization of high resolution surface wind simulations using NWS gridded data

Treesearch

J. Forthofer; K. Shannon; Bret Butler

2010-01-01

WindNinja is a standalone computer model designed to provide the user with simulations of surface wind flow. It is deterministic and steady state. It is currently being modified to allow the user to initialize the flow calculation using National Digital Forecast Database. It essentially allows the user to downscale the coarse scale simulations from meso-scale models to...

Transverse limited phase space model with Glauber geometry for high-energy nucleus-nucleus collisions

NASA Astrophysics Data System (ADS)

Huang, Ding Wei; Yen, Edward

1989-08-01

We propose a detailed model, combining the concepts from a partition temperature model and wounded nucleon model, to describe high-energy nucleus-nucleus collisions. One partition temperature is associated with collisions at a fixed wounded nucleon number. The (pseudo-) rapidity distributions are calculated and compared with experimental data. Predictions at higher energy are also presented.

Multiple-scattering model for inclusive proton production in heavy ion collisions

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.

1994-01-01

A formalism is developed for evaluating the momentum distribution for proton production in nuclear abrasion during heavy ion collisions using the Glauber multiple-scattering series. Several models for the one-body density matrix of nuclei are considered for performing numerical calculations. Calculations for the momentum distribution of protons in abrasion are compared with experimental data for inclusive proton production.

Conditional flood frequency and catchment state: a simulation approach

NASA Astrophysics Data System (ADS)

Brettschneider, Marco; Bourgin, François; Merz, Bruno; Andreassian, Vazken; Blaquiere, Simon

2017-04-01

Catchments have memory and the conditional flood frequency distribution for a time period ahead can be seen as non-stationary: it varies with the catchment state and climatic factors. From a risk management perspective, understanding the link of conditional flood frequency to catchment state is a key to anticipate potential periods of higher flood risk. Here, we adopt a simulation approach to explore the link between flood frequency obtained by continuous rainfall-runoff simulation and the initial state of the catchment. The simulation chain is based on i) a three state rainfall generator applied at the catchment scale, whose parameters are estimated for each month, and ii) the GR4J lumped rainfall-runoff model, whose parameters are calibrated with all available data. For each month, a large number of stochastic realizations of the continuous rainfall generator for the next 12 months are used as inputs for the GR4J model in order to obtain a large number of stochastic realizations for the next 12 months. This process is then repeated for 50 different initial states of the soil moisture reservoir of the GR4J model and for all the catchments. Thus, 50 different conditional flood frequency curves are obtained for the 50 different initial catchment states. We will present an analysis of the link between the catchment states, the period of the year and the strength of the conditioning of the flood frequency compared to the unconditional flood frequency. A large sample of diverse catchments in France will be used.

Novel QCD Phenomenology

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

Brodsky, Stanley J.; /SLAC /Southern Denmark U., CP3-Origins

2011-08-12

I review a number of topics where conventional wisdom in hadron physics has been challenged. For example, hadrons can be produced at large transverse momentum directly within a hard higher-twist QCD subprocess, rather than from jet fragmentation. Such 'direct' processes can explain the deviations from perturbative QCD predictions in measurements of inclusive hadron cross sections at fixed x{sub T} = 2p{sub T}/{radical}s, as well as the 'baryon anomaly', the anomalously large proton-to-pion ratio seen in high centrality heavy ion collisions. Initial-state and final-state interactions of the struck quark, the soft-gluon rescattering associated with its Wilson line, lead to Bjorken-scaling single-spinmore » asymmetries, diffractive deep inelastic scattering, the breakdown of the Lam-Tung relation in Drell-Yan reactions, as well as nuclear shadowing and antishadowing. The Gribov-Glauber theory predicts that antishadowing of nuclear structure functions is not universal, but instead depends on the flavor quantum numbers of each quark and antiquark, thus explaining the anomalous nuclear dependence measured in deep-inelastic neutrino scattering. Since shadowing and antishadowing arise from the physics of leading-twist diffractive deep inelastic scattering, one cannot attribute such phenomena to the structure of the nucleus itself. It is thus important to distinguish 'static' structure functions, the probability distributions computed from the square of the target light-front wavefunctions, versus 'dynamical' structure functions which include the effects of the final-state rescattering of the struck quark. The importance of the J = 0 photon-quark QCD contact interaction in deeply virtual Compton scattering is also emphasized. The scheme-independent BLM method for setting the renormalization scale is discussed. Eliminating the renormalization scale ambiguity greatly improves the precision of QCD predictions and increases the sensitivity of searches for new physics at the LHC. Other novel features of QCD are discussed, including the consequences of confinement for quark and gluon condensates.« less

Simulation of Top Quark Pair Production as a Background for Higgs Events at the Compact Muon Solenoid

NASA Astrophysics Data System (ADS)

Justus, Christopher

2005-04-01

In this study, we simulated top-antitop (tt-bar) quark events at the Compact Muon Solenoid (CMS), an experiment presently being constructed at the Large Hadron Collider in Geneva, Switzerland. The tt-bar process is an important background for Higgs events. We used a chain of software to simulate and reconstruct processes that will occur inside the detector. CMKIN was used to generate and store Monte Carlo Events. OSCAR, a GEANT4 based CMS detector simulator, was used to simulate the CMS detector and how particles would interact with the detector. Next, we used ORCA to simulate the response of the readout electronics at CMS. Last, we used the Jet/MET Root maker to create root files of jets and missing energy. We are now using this software analysis chain to complete a systematic study of initial state radiation at hadron colliders. This study is essential because tt-bar is the main background for the Higgs boson and these processes are extremely sensitive to initial state radiation. Results of our initial state radiation study will be presented. We started this study at the new LHC Physics Center (LPC) located at Fermi National Accelerator Laboratory, and we are now completing the study at the University of Rochester.

Parametrically coupled fermionic oscillators: Correlation functions and phase-space description

NASA Astrophysics Data System (ADS)

Ghosh, Arnab

2015-01-01

A fermionic analog of a parametric amplifier is used to describe the joint quantum state of the two interacting fermionic modes. Based on a two-mode generalization of the time-dependent density operator, time evolution of the fermionic density operator is determined in terms of its two-mode Wigner and P function. It is shown that the equation of motion of the Wigner function corresponds to a fermionic analog of Liouville's equation. The equilibrium density operator for fermionic fields developed by Cahill and Glauber is thus extended to a dynamical context to show that the mathematical structures of both the correlation functions and the weight factors closely resemble their bosonic counterpart. It has been shown that the fermionic correlation functions are marked by a characteristic upper bound due to Fermi statistics, which can be verified in the matter wave counterpart of photon down-conversion experiments.

A comparative study of turbulence decay using Navier-Stokes and a discrete particle simulation

NASA Technical Reports Server (NTRS)

Goswami, A.; Baganoff, D.; Lele, S.; Feiereisen, W.

1993-01-01

A comparative study of the two dimensional temporal decay of an initial turbulent state of flow is presented using a direct Navier-Stokes simulation and a particle method, ranging from the near continuum to more rarefied regimes. Various topics related to matching the initial conditions between the two simulations are considered. The determination of the initial velocity distribution function in the particle method was found to play an important role in the comparison. This distribution was first developed by matching the initial Navier-Stokes state of stress, but was found to be inadequate beyond the near continuum regime. An alternative approach of using the Lees two-sided Maxwellian to match the initial strain-rate is discussed. Results of the comparison of the temporal decay of mean kinetic energy are presented for a range of Knudsen numbers. As expected, good agreement was observed for the near continuum regime, but the differences found for the more rarefied conditions were unexpectedly small.

Impact of Land Surface Initialization Approach on Subseasonal Forecast Skill: a Regional Analysis in the Southern Hemisphere

NASA Technical Reports Server (NTRS)

Hirsch, Annette L.; Kala, Jatin; Pitman, Andy J.; Carouge, Claire; Evans, Jason P.; Haverd, Vanessa; Mocko, David

2014-01-01

The authors use a sophisticated coupled land-atmosphere modeling system for a Southern Hemisphere subdomain centered over southeastern Australia to evaluate differences in simulation skill from two different land surface initialization approaches. The first approach uses equilibrated land surface states obtained from offline simulations of the land surface model, and the second uses land surface states obtained from reanalyses. The authors find that land surface initialization using prior offline simulations contribute to relative gains in subseasonal forecast skill. In particular, relative gains in forecast skill for temperature of 10%-20% within the first 30 days of the forecast can be attributed to the land surface initialization method using offline states. For precipitation there is no distinct preference for the land surface initialization method, with limited gains in forecast skill irrespective of the lead time. The authors evaluated the asymmetry between maximum and minimum temperatures and found that maximum temperatures had the largest gains in relative forecast skill, exceeding 20% in some regions. These results were statistically significant at the 98% confidence level at up to 60 days into the forecast period. For minimum temperature, using reanalyses to initialize the land surface contributed to relative gains in forecast skill, reaching 40% in parts of the domain that were statistically significant at the 98% confidence level. The contrasting impact of the land surface initialization method between maximum and minimum temperature was associated with different soil moisture coupling mechanisms. Therefore, land surface initialization from prior offline simulations does improve predictability for temperature, particularly maximum temperature, but with less obvious improvements for precipitation and minimum temperature over southeastern Australia.

Time-reversed, flow-reversed ballistics simulations

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

Zernow, L.; Chapyak, E. J.; Scheffler, D. R.

2001-01-01

Two-dimensional simulations of planar sheet jet formation are studied to examine the hydrodynamic issues involved when simulations are carried out in the inverse direction, that is, with reversed time and flow. Both a realistic copper equation of state and a shockless equation of state were used. These studies are an initial step in evaluating this technique as a ballistics design tool.

Attitude determination of a high altitude balloon system. Part 2: Development of the parameter determination process

NASA Technical Reports Server (NTRS)

Nigro, N. J.; Elkouh, A. F.

1975-01-01

The attitude of the balloon system is determined as a function of time if: (a) a method for simulating the motion of the system is available, and (b) the initial state is known. The initial state is obtained by fitting the system motion (as measured by sensors) to the corresponding output predicted by the mathematical model. In the case of the LACATE experiment the sensors consisted of three orthogonally oriented rate gyros and a magnetometer all mounted on the research platform. The initial state was obtained by fitting the angular velocity components measured with the gyros to the corresponding values obtained from the solution of the math model. A block diagram illustrating the attitude determination process employed for the LACATE experiment is shown. The process consists of three essential parts; a process for simulating the balloon system, an instrumentation system for measuring the output, and a parameter estimation process for systematically and efficiently solving the initial state. Results are presented and discussed.

Quantum dynamics of thermalizing systems

NASA Astrophysics Data System (ADS)

White, Christopher David; Zaletel, Michael; Mong, Roger S. K.; Refael, Gil

2018-01-01

We introduce a method "DMT" for approximating density operators of 1D systems that, when combined with a standard framework for time evolution (TEBD), makes possible simulation of the dynamics of strongly thermalizing systems to arbitrary times. We demonstrate that the method performs well for both near-equilibrium initial states (Gibbs states with spatially varying temperatures) and far-from-equilibrium initial states, including quenches across phase transitions and pure states.

Stochastic switching of TiO2-based memristive devices with identical initial memory states

PubMed Central

2014-01-01

In this work, we show that identical TiO2-based memristive devices that possess the same initial resistive states are only phenomenologically similar as their internal structures may vary significantly, which could render quite dissimilar switching dynamics. We experimentally demonstrated that the resistive switching of practical devices with similar initial states could occur at different programming stimuli cycles. We argue that similar memory states can be transcribed via numerous distinct active core states through the dissimilar reduced TiO2-x filamentary distributions. Our hypothesis was finally verified via simulated results of the memory state evolution, by taking into account dissimilar initial filamentary distribution. PMID:24994953

Coherent diffractive photoproduction of ρ0 mesons on gold nuclei at 200 GeV/nucleon-pair at the Relativistic Heavy Ion Collider

NASA Astrophysics Data System (ADS)

Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Ajitanand, N. N.; Alekseev, I.; Anderson, D. M.; Aoyama, R.; Aparin, A.; Arkhipkin, D.; Aschenauer, E. C.; Ashraf, M. U.; Attri, A.; Averichev, G. S.; Bai, X.; Bairathi, V.; Behera, A.; Bellwied, R.; Bhasin, A.; Bhati, A. K.; Bhattarai, P.; Bielcik, J.; Bielcikova, J.; Bland, L. C.; Bordyuzhin, I. G.; Bouchet, J.; Brandenburg, J. D.; Brandin, A. V.; Brown, D.; Bunzarov, I.; Butterworth, J.; Caines, H.; Calderón de la Barca Sánchez, M.; Campbell, J. M.; Cebra, D.; Chakaberia, I.; Chaloupka, P.; Chang, Z.; Chankova-Bunzarova, N.; Chatterjee, A.; Chattopadhyay, S.; Chen, X.; Chen, J. H.; Chen, X.; Cheng, J.; Cherney, M.; Christie, W.; Contin, G.; Crawford, H. J.; Das, S.; De Silva, L. C.; Debbe, R. R.; Dedovich, T. G.; Deng, J.; Derevschikov, A. A.; Didenko, L.; Dilks, C.; Dong, X.; Drachenberg, J. L.; Draper, J. E.; Dunkelberger, L. E.; Dunlop, J. C.; Efimov, L. G.; Elsey, N.; Engelage, J.; Eppley, G.; Esha, R.; Esumi, S.; Evdokimov, O.; Ewigleben, J.; Eyser, O.; Fatemi, R.; Fazio, S.; Federic, P.; Federicova, P.; Fedorisin, J.; Feng, Z.; Filip, P.; Finch, E.; Fisyak, Y.; Flores, C. E.; Fulek, L.; Gagliardi, C. A.; Garand, D.; Geurts, F.; Gibson, A.; Girard, M.; Grosnick, D.; Gunarathne, D. S.; Guo, Y.; Gupta, A.; Gupta, S.; Guryn, W.; Hamad, A. I.; Hamed, A.; Harlenderova, A.; Harris, J. W.; He, L.; Heppelmann, S.; Heppelmann, S.; Hirsch, A.; Hoffmann, G. W.; Horvat, S.; Huang, T.; Huang, B.; Huang, X.; Huang, H. Z.; Humanic, T. J.; Huo, P.; Igo, G.; Jacobs, W. W.; Jentsch, A.; Jia, J.; Jiang, K.; Jowzaee, S.; Judd, E. G.; Kabana, S.; Kalinkin, D.; Kang, K.; Kauder, K.; Ke, H. W.; Keane, D.; Kechechyan, A.; Khan, Z.; Kikoła, D. P.; Kisel, I.; Kisiel, A.; Klein, S. R.; Kochenda, L.; Kocmanek, M.; Kollegger, T.; Kosarzewski, L. K.; Kraishan, A. F.; Kravtsov, P.; Krueger, K.; Kulathunga, N.; Kumar, L.; Kvapil, J.; Kwasizur, J. H.; Lacey, R.; Landgraf, J. M.; Landry, K. D.; Lauret, J.; Lebedev, A.; Lednicky, R.; Lee, J. H.; Li, X.; Li, C.; Li, W.; Li, Y.; Lidrych, J.; Lin, T.; Lisa, M. A.; Liu, H.; Liu, P.; Liu, Y.; Liu, F.; Ljubicic, T.; Llope, W. J.; Lomnitz, M.; Longacre, R. S.; Luo, S.; Luo, X.; Ma, G. L.; Ma, L.; Ma, Y. G.; Ma, R.; Magdy, N.; Majka, R.; Mallick, D.; Margetis, S.; Markert, C.; Matis, H. S.; Meehan, K.; Mei, J. C.; Miller, Z. W.; Minaev, N. G.; Mioduszewski, S.; Mishra, D.; Mizuno, S.; Mohanty, B.; Mondal, M. M.; Morozov, D. A.; Mustafa, M. K.; Nasim, Md.; Nayak, T. K.; Nelson, J. M.; Nie, M.; Nigmatkulov, G.; Niida, T.; Nogach, L. V.; Nonaka, T.; Nurushev, S. B.; Odyniec, G.; Ogawa, A.; Oh, K.; Okorokov, V. A.; Olvitt, D.; Page, B. S.; Pak, R.; Pandit, Y.; Panebratsev, Y.; Pawlik, B.; Pei, H.; Perkins, C.; Pile, P.; Pluta, J.; Poniatowska, K.; Porter, J.; Posik, M.; Poskanzer, A. M.; Pruthi, N. K.; Przybycien, M.; Putschke, J.; Qiu, H.; Quintero, A.; Ramachandran, S.; Ray, R. L.; Reed, R.; Rehbein, M. J.; Ritter, H. G.; Roberts, J. B.; Rogachevskiy, O. V.; Romero, J. L.; Roth, J. D.; Ruan, L.; Rusnak, J.; Rusnakova, O.; Sahoo, N. R.; Sahu, P. K.; Salur, S.; Sandweiss, J.; Saur, M.; Schambach, J.; Schmah, A. M.; Schmidke, W. B.; Schmitz, N.; Schweid, B. R.; Seger, J.; Sergeeva, M.; Seyboth, P.; Shah, N.; Shahaliev, E.; Shanmuganathan, P. V.; Shao, M.; Sharma, A.; Sharma, M. K.; Shen, W. Q.; Shi, Z.; Shi, S. S.; Shou, Q. Y.; Sichtermann, E. P.; Sikora, R.; Simko, M.; Singha, S.; Skoby, M. J.; Smirnov, N.; Smirnov, D.; Solyst, W.; Song, L.; Sorensen, P.; Spinka, H. M.; Srivastava, B.; Stanislaus, T. D. S.; Strikhanov, M.; Stringfellow, B.; Sugiura, T.; Sumbera, M.; Summa, B.; Sun, Y.; Sun, X. M.; Sun, X.; Surrow, B.; Svirida, D. N.; Tang, A. H.; Tang, Z.; Taranenko, A.; Tarnowsky, T.; Tawfik, A.; Thäder, J.; Thomas, J. H.; Timmins, A. R.; Tlusty, D.; Todoroki, T.; Tokarev, M.; Trentalange, S.; Tribble, R. E.; Tribedy, P.; Tripathy, S. K.; Trzeciak, B. A.; Tsai, O. D.; Ullrich, T.; Underwood, D. G.; Upsal, I.; Van Buren, G.; van Nieuwenhuizen, G.; Vasiliev, A. N.; Videbæk, F.; Vokal, S.; Voloshin, S. A.; Vossen, A.; Wang, G.; Wang, Y.; Wang, F.; Wang, Y.; Webb, J. C.; Webb, G.; Wen, L.; Westfall, G. D.; Wieman, H.; Wissink, S. W.; Witt, R.; Wu, Y.; Xiao, Z. G.; Xie, W.; Xie, G.; Xu, J.; Xu, N.; Xu, Q. H.; Xu, Y. F.; Xu, Z.; Yang, Y.; Yang, Q.; Yang, C.; Yang, S.; Ye, Z.; Ye, Z.; Yi, L.; Yip, K.; Yoo, I.-K.; Yu, N.; Zbroszczyk, H.; Zha, W.; Zhang, Z.; Zhang, X. P.; Zhang, J. B.; Zhang, S.; Zhang, J.; Zhang, Y.; Zhang, J.; Zhang, S.; Zhao, J.; Zhong, C.; Zhou, L.; Zhou, C.; Zhu, X.; Zhu, Z.; Zyzak, M.; STAR Collaboration

2017-11-01

The STAR Collaboration reports on the photoproduction of π+π- pairs in gold-gold collisions at a center-of-mass energy of 200 GeV/nucleon-pair. These pion pairs are produced when a nearly real photon emitted by one ion scatters from the other ion. We fit the π+π- invariant-mass spectrum with a combination of ρ0 and ω resonances and a direct π+π- continuum. This is the first observation of the ω in ultraperipheral collisions, and the first measurement of ρ -ω interference at energies where photoproduction is dominated by Pomeron exchange. The ω amplitude is consistent with the measured γ p →ω p cross section, a classical Glauber calculation, and the ω →π+π- branching ratio. The ω phase angle is similar to that observed at much lower energies, showing that the ρ -ω phase difference does not depend significantly on photon energy. The ρ0 differential cross section d σ /d t exhibits a clear diffraction pattern, compatible with scattering from a gold nucleus, with two minima visible. The positions of the diffractive minima agree better with the predictions of a quantum Glauber calculation that does not include nuclear shadowing than with a calculation that does include shadowing.

Modeling target normal sheath acceleration using handoffs between multiple simulations

NASA Astrophysics Data System (ADS)

McMahon, Matthew; Willis, Christopher; Mitchell, Robert; King, Frank; Schumacher, Douglass; Akli, Kramer; Freeman, Richard

2013-10-01

We present a technique to model the target normal sheath acceleration (TNSA) process using full-scale LSP PIC simulations. The technique allows for a realistic laser, full size target and pre-plasma, and sufficient propagation length for the accelerated ions and electrons. A first simulation using a 2D Cartesian grid models the laser-plasma interaction (LPI) self-consistently and includes field ionization. Electrons accelerated by the laser are imported into a second simulation using a 2D cylindrical grid optimized for the initial TNSA process and incorporating an equation of state. Finally, all of the particles are imported to a third simulation optimized for the propagation of the accelerated ions and utilizing a static field solver for initialization. We also show use of 3D LPI simulations. Simulation results are compared to recent ion acceleration experiments using SCARLET laser at The Ohio State University. This work was performed with support from ASOFR under contract # FA9550-12-1-0341, DARPA, and allocations of computing time from the Ohio Supercomputing Center.

Numerical Simulations of Close and Contact Binary Systems Having Bipolytropic Equation of State

NASA Astrophysics Data System (ADS)

Kadam, Kundan; Clayton, Geoffrey C.; Motl, Patrick M.; Marcello, Dominic; Frank, Juhan

2017-01-01

I present the results of the numerical simulations of the mass transfer in close and contact binary systems with both stars having a bipolytropic (composite polytropic) equation of state. The initial binary systems are obtained by a modifying Hachisu’s self-consistent field technique. Both the stars have fully resolved cores with a molecular weight jump at the core-envelope interface. The initial properties of these simulations are chosen such that they satisfy the mass-radius relation, composition and period of a late W-type contact binary system. The simulations are carried out using two different Eulerian hydrocodes, Flow-ER with a fixed cylindrical grid, and Octo-tiger with an AMR capable cartesian grid. The detailed comparison of the simulations suggests an agreement between the results obtained from the two codes at different resolutions. The set of simulations can be treated as a benchmark, enabling us to reliably simulate mass transfer and merger scenarios of binary systems involving bipolytropic components.

United States Air Force Research Initiation Program for 1988. Volume 2

DTIC Science & Technology

1990-04-01

Specialty: Modeling and Simulation ENGINEERING AND SERVICES CENTER (Tyndall Air Force Base) Dr. Wayne A. Charlie Dr. Peter Jeffers (1987) Colorado State...Michael Sydor University of New Hampshire University of Minnesota Specialty: Systems Modeling & Controls Specialty: Optics, Material Science Dr. John...9MG-025 4 Modeling and Simulation on Micro- Dr. Joseph J. Feeley (1987) computers, 1989 760-7MG-070 5 Two Dimensional MHD Simulation of Dr. Manuel A

Bond Length Dependence on Quantum States as Shown by Spectroscopy

ERIC Educational Resources Information Center

Lim, Kieran F.

2005-01-01

A discussion on how a spreadsheet simulation of linear-molecular spectra could be used to explore the dependence of rotational band spacing and contours on average bond lengths in the initial and final quantum states is presented. The simulation of hydrogen chloride IR, iodine UV-vis, and nitrogen UV-vis spectra clearly show whether the average…

RAINIER: A simulation tool for distributions of excited nuclear states and cascade fluctuations

NASA Astrophysics Data System (ADS)

Kirsch, L. E.; Bernstein, L. A.

2018-06-01

A new code has been developed named RAINIER that simulates the γ-ray decay of discrete and quasi-continuum nuclear levels for a user-specified range of energy, angular momentum, and parity including a realistic treatment of level spacing and transition width fluctuations. A similar program, DICEBOX, uses the Monte Carlo method to simulate level and width fluctuations but is restricted in its initial level population algorithm. On the other hand, modern reaction codes such as TALYS and EMPIRE populate a wide range of states in the residual nucleus prior to γ-ray decay, but do not go beyond the use of deterministic functions and therefore neglect cascade fluctuations. This combination of capabilities allows RAINIER to be used to determine quasi-continuum properties through comparison with experimental data. Several examples are given that demonstrate how cascade fluctuations influence experimental high-resolution γ-ray spectra from reactions that populate a wide range of initial states.

Dynamic simulation of coronal mass ejections

NASA Technical Reports Server (NTRS)

Steinolfson, R. S.; Wu, S. T.

1980-01-01

A model is developed for the formation and propagation through the lower corona of the loop-like coronal transients in which mass is ejected from near the solar surface to the outer corona. It is assumed that the initial state for the transient is a coronal streamer. The initial state for the streamer is a polytropic, hydrodynamic solution to the steady-state radial equation of motion coupled with a force-free dipole magnetic field. The numerical solution of the complete time-dependent equations then gradually approaches a stationary coronal streamer configuration. The streamer configuration becomes the initial state for the coronal transient. The streamer and transient simulations are performed completely independent of each other. The transient is created by a sudden increase in the pressure at the base of the closed-field region in the streamer configuration. Both coronal streamers and coronal transients are calculated for values of the plasma beta (the ratio of thermal to magnetic pressure) varying from 0.1 to 100.

Performance bounds on parallel self-initiating discrete-event

NASA Technical Reports Server (NTRS)

Nicol, David M.

1990-01-01

The use is considered of massively parallel architectures to execute discrete-event simulations of what is termed self-initiating models. A logical process in a self-initiating model schedules its own state re-evaluation times, independently of any other logical process, and sends its new state to other logical processes following the re-evaluation. The interest is in the effects of that communication on synchronization. The performance is considered of various synchronization protocols by deriving upper and lower bounds on optimal performance, upper bounds on Time Warp's performance, and lower bounds on the performance of a new conservative protocol. The analysis of Time Warp includes the overhead costs of state-saving and rollback. The analysis points out sufficient conditions for the conservative protocol to outperform Time Warp. The analysis also quantifies the sensitivity of performance to message fan-out, lookahead ability, and the probability distributions underlying the simulation.

Metastability on the hierarchical lattice

NASA Astrophysics Data System (ADS)

den Hollander, Frank; Jovanovski, Oliver

2017-07-01

We study metastability for Glauber spin-flip dynamics on the N-dimensional hierarchical lattice with n hierarchical levels. Each vertex carries an Ising spin that can take the values -1 or +1 . Spins interact with an external magnetic field h>0 . Pairs of spins interact with each other according to a ferromagnetic pair potential J=\\{J_i\\}i=1n , where J_i>0 is the strength of the interaction between spins at hierarchical distance i. Spins flip according to a Metropolis dynamics at inverse temperature β. In the limit as β\\to∞ , we analyse the crossover time from the metastable state \\boxminus (all spins -1 ) to the stable state \\boxplus (all spins +1 ). Under the assumption that J is non-increasing, we identify the mean transition time up to a multiplicative factor 1+o_β(1) . On the scale of its mean, the transition time is exponentially distributed. We also identify the set of configurations representing the gate for the transition. For the special case where Ji = \\tilde{J}/Ni , 1 ≤slant i ≤slant n , with \\tilde{J}>0 the relevant formulas simplify considerably. Also the hierarchical mean-field limit N\\to∞ can be analysed in detail.

Quasielastic charge-exchange reaction p/sup 3/ He. -->. n/sub F/ ppp at intermediate energies

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

Blinov, A.V.; Vanyushin, I.A.; Grechko, V.E.

1988-04-01

The principal characteristics of the quasielastic-charge-exchange reaction p/sup 3/He..-->..n/sub F/ppp are investigated by means of the liquid-hydrogen bubble chamber at our institute of diameter 80 cm, exposed in beams of /sup 3/He nuclei with momenta 2.5 and 5 GeV/c (the kinetic energy of the primary protons T/sub p/ in the rest system of the nucleus is respectively 0.318 and 0.978 GeV). The experimental data are compared with the predictions of the Glauber-Sitenko multiple-scattering theory and with the pole model taking into account the interaction of spectator nucleons in the final state. In the mass spectrum of the 3p system atmore » 3.05 GeV a well expressed structure is observed which is not described in the framework of the pole model. A possible resonance occurrence of this structure is discussed.« less

Effect of initial densities in the lattice Boltzmann model for non-ideal fluid with curved interface

NASA Astrophysics Data System (ADS)

Gong, Jiaming; Oshima, Nobuyuki

2017-06-01

The effect of initial densities in a free energy based two-phase-flow lattice Boltzmann method for non-ideal fluids with a curved interface was investigated in the present work. To investigate this effect, the initial densities in the liquid and gas phases coming from the saturation points and the equilibrium state were adopted in the simulation of a static droplet in an open and a closed system. For the purpose of simplicity and easier comparison, the closed system is fabricated by the implementation of the periodic boundary condition at the inlet and outlet of a gas channel, and the open system is fabricated by the implementation of a constant flux boundary condition at the inlet and a free-out boundary condition at the outlet of the same gas channel. By comparing the simulation results from the two types of initial densities in the open and closed systems, it is proven that the commonly used saturation initial densities setting is the reason for droplet mass and volume variation which occurred in the simulation, particularly in the open system with a constant flux boundary condition. Such problems are believed to come from the curvature effect of the surface tension and can be greatly reduced by adopting the initial densities in the two phases from equilibrium state.

Grassmann phase space methods for fermions. I. Mode theory

NASA Astrophysics Data System (ADS)

Dalton, B. J.; Jeffers, J.; Barnett, S. M.

2016-07-01

In both quantum optics and cold atom physics, the behaviour of bosonic photons and atoms is often treated using phase space methods, where mode annihilation and creation operators are represented by c-number phase space variables, with the density operator equivalent to a distribution function of these variables. The anti-commutation rules for fermion annihilation, creation operators suggest the possibility of using anti-commuting Grassmann variables to represent these operators. However, in spite of the seminal work by Cahill and Glauber and a few applications, the use of Grassmann phase space methods in quantum-atom optics to treat fermionic systems is rather rare, though fermion coherent states using Grassmann variables are widely used in particle physics. The theory of Grassmann phase space methods for fermions based on separate modes is developed, showing how the distribution function is defined and used to determine quantum correlation functions, Fock state populations and coherences via Grassmann phase space integrals, how the Fokker-Planck equations are obtained and then converted into equivalent Ito equations for stochastic Grassmann variables. The fermion distribution function is an even Grassmann function, and is unique. The number of c-number Wiener increments involved is 2n2, if there are n modes. The situation is somewhat different to the bosonic c-number case where only 2 n Wiener increments are involved, the sign of the drift term in the Ito equation is reversed and the diffusion matrix in the Fokker-Planck equation is anti-symmetric rather than symmetric. The un-normalised B distribution is of particular importance for determining Fock state populations and coherences, and as pointed out by Plimak, Collett and Olsen, the drift vector in its Fokker-Planck equation only depends linearly on the Grassmann variables. Using this key feature we show how the Ito stochastic equations can be solved numerically for finite times in terms of c-number stochastic quantities. Averages of products of Grassmann stochastic variables at the initial time are also involved, but these are determined from the initial conditions for the quantum state. The detailed approach to the numerics is outlined, showing that (apart from standard issues in such numerics) numerical calculations for Grassmann phase space theories of fermion systems could be carried out without needing to represent Grassmann phase space variables on the computer, and only involving processes using c-numbers. We compare our approach to that of Plimak, Collett and Olsen and show that the two approaches differ. As a simple test case we apply the B distribution theory and solve the Ito stochastic equations to demonstrate coupling between degenerate Cooper pairs in a four mode fermionic system involving spin conserving interactions between the spin 1 / 2 fermions, where modes with momenta - k , + k-each associated with spin up, spin down states, are involved.

A quantum algorithm for obtaining the lowest eigenstate of a Hamiltonian assisted with an ancillary qubit system

NASA Astrophysics Data System (ADS)

Bang, Jeongho; Lee, Seung-Woo; Lee, Chang-Woo; Jeong, Hyunseok

2015-01-01

We propose a quantum algorithm to obtain the lowest eigenstate of any Hamiltonian simulated by a quantum computer. The proposed algorithm begins with an arbitrary initial state of the simulated system. A finite series of transforms is iteratively applied to the initial state assisted with an ancillary qubit. The fraction of the lowest eigenstate in the initial state is then amplified up to 1. We prove that our algorithm can faithfully work for any arbitrary Hamiltonian in the theoretical analysis. Numerical analyses are also carried out. We firstly provide a numerical proof-of-principle demonstration with a simple Hamiltonian in order to compare our scheme with the so-called "Demon-like algorithmic cooling (DLAC)", recently proposed in Xu (Nat Photonics 8:113, 2014). The result shows a good agreement with our theoretical analysis, exhibiting the comparable behavior to the best `cooling' with the DLAC method. We then consider a random Hamiltonian model for further analysis of our algorithm. By numerical simulations, we show that the total number of iterations is proportional to , where is the difference between the two lowest eigenvalues and is an error defined as the probability that the finally obtained system state is in an unexpected (i.e., not the lowest) eigenstate.

Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. II. Ab initio multiple spawning simulations

NASA Astrophysics Data System (ADS)

Glover, William J.; Mori, Toshifumi; Schuurman, Michael S.; Boguslavskiy, Andrey E.; Schalk, Oliver; Stolow, Albert; Martínez, Todd J.

2018-04-01

The excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene (BD), has long been the subject of controversy due to its strong coupling, ultrafast time scales and the difficulties that theory faces in describing the relevant electronic states in a balanced fashion. Here we apply Ab Initio Multiple Spawning (AIMS) using state-averaged complete active space multistate second order perturbation theory [SA-3-CAS(4/4)-MSPT2] which describes both static and dynamic electron correlation effects, providing a balanced description of both the initially prepared bright 11Bu (ππ*) state and non-adiabatically coupled dark 21Ag state of BD. Importantly, AIMS allows for on-the-fly calculations of experimental observables. We validate our approach by directly simulating the time resolved photoelectron-photoion coincidence spectroscopy results presented in Paper I [A. E. Boguslavskiy et al., J. Chem. Phys. 148, 164302 (2018)], demonstrating excellent agreement with experiment. Our simulations reveal that the initial excitation to the 11Bu state rapidly evolves via wavepacket dynamics that follow both bright- and dark-state pathways as well as mixtures of these. In order to test the sensitivity of the AIMS results to the relative ordering of states, we considered two hypothetical scenarios biased toward either the bright 1Bu or the dark 21Ag state. In contrast with AIMS/SA-3-CAS(4/4)-MSPT2 simulations, neither of these scenarios yields favorable agreement with experiment. Thus, we conclude that the excited state non-adiabatic dynamics in BD involves both of these ultrafast pathways.

Matter radii of {sup 32-35}Mg

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

Kanungo, R.; Perro, C.; Prochazka, A.

The interaction cross sections of {sup 32-35}Mg at 900A MeV have been measured using the fragment separator at GSI. The deviation from the r{sub 0}A{sup 1/3} trend is slightly larger for {sup 35}Mg, signaling the possible formation of a longer tail in the neutron distribution for {sup 35}Mg. The radii extracted from a Glauber model analysis with Fermi densities are consistent with models predicting the development of neutron skins.

Coherent diffractive photoproduction of ρ 0 mesons on gold nuclei at 200 GeV/nucleon-pair at the Relativistic Heavy Ion Collider

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

Adamczyk, L.; Adkins, J. K.; Agakishiev, G.

The STAR Collaboration reports on the photoproduction of π + π - pairs in gold-gold collisions at a center-of-mass energy of 200 GeV/nucleon-pair. These pion pairs are produced when a nearly real photon emitted by one ion scatters from the other ion. In this work, we fit the π + π - invariant-mass spectrum with a combination of ρ 0 and ω resonances and a direct π + π - continuum. This is the first observation of the ω in ultraperipheral collisions, and the first measurement of ρ - ω interference at energies where photoproduction is dominated by Pomeron exchange.more » The ω amplitude is consistent with the measured γp → ωp cross section, a classical Glauber calculation, and the ω → π + π - branching ratio. The ω phase angle is similar to that observed at much lower energies, showing that the ρ - ω phase difference does not depend significantly on photon energy. The ρ 0 differential cross section dσ/dt exhibits a clear diffraction pattern, compatible with scattering from a gold nucleus, with two minima visible. In conclusion, the positions of the diffractive minima agree better with the predictions of a quantum Glauber calculation that does not include nuclear shadowing than with a calculation that does include shadowing.« less

Coherent diffractive photoproduction of ρ 0 mesons on gold nuclei at 200 GeV/nucleon-pair at the Relativistic Heavy Ion Collider

DOE PAGES

Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; ...

2017-11-13

The STAR Collaboration reports on the photoproduction of π + π - pairs in gold-gold collisions at a center-of-mass energy of 200 GeV/nucleon-pair. These pion pairs are produced when a nearly real photon emitted by one ion scatters from the other ion. In this work, we fit the π + π - invariant-mass spectrum with a combination of ρ 0 and ω resonances and a direct π + π - continuum. This is the first observation of the ω in ultraperipheral collisions, and the first measurement of ρ - ω interference at energies where photoproduction is dominated by Pomeron exchange.more » The ω amplitude is consistent with the measured γp → ωp cross section, a classical Glauber calculation, and the ω → π + π - branching ratio. The ω phase angle is similar to that observed at much lower energies, showing that the ρ - ω phase difference does not depend significantly on photon energy. The ρ 0 differential cross section dσ/dt exhibits a clear diffraction pattern, compatible with scattering from a gold nucleus, with two minima visible. In conclusion, the positions of the diffractive minima agree better with the predictions of a quantum Glauber calculation that does not include nuclear shadowing than with a calculation that does include shadowing.« less

Optimal control of the population dynamics of the ground vibrational state of a polyatomic molecule

NASA Astrophysics Data System (ADS)

de Clercq, Ludwig E.; Botha, Lourens R.; Rohwer, Erich G.; Uys, Hermann; Du Plessis, Anton

2011-03-01

Simulating coherent control with femtosecond pulses on a polyatomic molecule with anharmonic splitting was demonstrated. The simulation mimicked pulse shaping of a Spatial Light Modulator (SLM) and the interaction was described with the Von Neumann equation. A transform limited pulse with a fluence of 600 J/m2 produced 18% of the population in an arbitrarily chosen upper vibrational state, n =2. Phase only and amplitude only shaped pulse produced optimum values of 60% and 40% respectively, of the population in the vibrational state, n=2, after interaction with the ultra short pulse. The combination of phase and amplitude shaping produced the best results, 80% of the population was in the targeted vibrational state, n=2, after interaction. These simulations were carried out with all the population initially in the ground vibrational level. It was found that even at room temperatures (300 Kelvin) that the population in the selected level is comparable with the case where all population is initially in the ground vibrational state. With a 10% noise added to the amplitude and phase masks, selective excitation of the targeted vibrational state is still possible.

Software-defined Quantum Networking Ecosystem

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

Humble, Travis S.; Sadlier, Ronald

The software enables a user to perform modeling and simulation of software-defined quantum networks. The software addresses the problem of how to synchronize transmission of quantum and classical signals through multi-node networks and to demonstrate quantum information protocols such as quantum teleportation. The software approaches this problem by generating a graphical model of the underlying network and attributing properties to each node and link in the graph. The graphical model is then simulated using a combination of discrete-event simulators to calculate the expected state of each node and link in the graph at a future time. A user interacts withmore » the software by providing an initial network model and instantiating methods for the nodes to transmit information with each other. This includes writing application scripts in python that make use of the software library interfaces. A user then initiates the application scripts, which invokes the software simulation. The user then uses the built-in diagnostic tools to query the state of the simulation and to collect statistics on synchronization.« less

Positive Wigner functions render classical simulation of quantum computation efficient.

PubMed

Mari, A; Eisert, J

2012-12-07

We show that quantum circuits where the initial state and all the following quantum operations can be represented by positive Wigner functions can be classically efficiently simulated. This is true both for continuous-variable as well as discrete variable systems in odd prime dimensions, two cases which will be treated on entirely the same footing. Noting the fact that Clifford and Gaussian operations preserve the positivity of the Wigner function, our result generalizes the Gottesman-Knill theorem. Our algorithm provides a way of sampling from the output distribution of a computation or a simulation, including the efficient sampling from an approximate output distribution in the case of sampling imperfections for initial states, gates, or measurements. In this sense, this work highlights the role of the positive Wigner function as separating classically efficiently simulable systems from those that are potentially universal for quantum computing and simulation, and it emphasizes the role of negativity of the Wigner function as a computational resource.

A Comparison of Grid-based and SPH Binary Mass-transfer and Merger Simulations

DOE PAGES

Motl, Patrick M.; Frank, Juhan; Staff, Jan; ...

2017-03-29

There is currently a great amount of interest in the outcomes and astrophysical implications of mergers of double degenerate binaries. In a commonly adopted approximation, the components of such binaries are represented by polytropes with an index of n = 3/2. We present detailed comparisons of stellar mass-transfer and merger simulations of polytropic binaries that have been carried out using two very different numerical algorithms—a finite-volume "grid" code and a smoothed-particle hydrodynamics (SPH) code. We find that there is agreement in both the ultimate outcomes of the evolutions and the intermediate stages if the initial conditions for each code aremore » chosen to match as closely as possible. We find that even with closely matching initial setups, the time it takes to reach a concordant evolution differs between the two codes because the initial depth of contact cannot be matched exactly. There is a general tendency for SPH to yield higher mass transfer rates and faster evolution to the final outcome. Here, we also present comparisons of simulations calculated from two different energy equations: in one series, we assume a polytropic equation of state and in the other series an ideal gas equation of state. In the latter series of simulations, an atmosphere forms around the accretor, which can exchange angular momentum and cause a more rapid loss of orbital angular momentum. In the simulations presented here, the effect of the ideal equation of state is to de-stabilize the binary in both SPH and grid simulations, but the effect is more pronounced in the grid code.« less

Boiling water jet outflow from a thin nozzle: spatial modeling

NASA Astrophysics Data System (ADS)

Bolotnova, R. Kh.; Korobchinskaya, V. A.

2017-09-01

This study presents dual-temperature two-phase model for liquid-vapor mixture with account for evaporation and inter-phase heat transfer (taken in single-velocity single-pressure approximation). Simulation was performed using the shock-capturing method and moving Lagrangian grids. Analysis was performed for simulated and experimental values of nucleation frequency (for refining the initial number and radius of microbubbles) which affect the evaporation rate. Validity of 2D and 1D simulation was examined through comparison with experimental data. The peculiarities of the water-steam formation at the initial stage of outflow through a thin nozzle were studied for different initial equilibrium states of water for the conditions close to chosen experimental conditions.

Attitude algorithm and initial alignment method for SINS applied in short-range aircraft

NASA Astrophysics Data System (ADS)

Zhang, Rong-Hui; He, Zhao-Cheng; You, Feng; Chen, Bo

2017-07-01

This paper presents an attitude solution algorithm based on the Micro-Electro-Mechanical System and quaternion method. We completed the numerical calculation and engineering practice by adopting fourth-order Runge-Kutta algorithm in the digital signal processor. The state space mathematical model of initial alignment in static base was established, and the initial alignment method based on Kalman filter was proposed. Based on the hardware in the loop simulation platform, the short-range flight simulation test and the actual flight test were carried out. The results show that the error of pitch, yaw and roll angle is fast convergent, and the fitting rate between flight simulation and flight test is more than 85%.

Development and Application of a Computer Simulation Program to Enhance the Clinical Problem-Solving Skills of Students.

ERIC Educational Resources Information Center

Boh, Larry E.; And Others

1987-01-01

A project to (1) develop and apply a microcomputer simulation program to enhance clinical medication problem solving in preclerkship and clerkship students and (2) perform an initial formative evaluation of the simulation is described. A systematic instructional design approach was used in applying the simulation to the disease state of rheumatoid…

Predicting a contact's sensitivity to initial conditions using metrics of frictional coupling

DOE PAGES

Flicek, Robert C.; Hills, David A.; Brake, Matthew Robert W.

2016-09-29

This paper presents a method for predicting how sensitive a frictional contact’s steady-state behavior is to its initial conditions. Previous research has proven that if a contact is uncoupled, i.e. if slip displacements do not influence the contact pressure distribution, then its steady-state response is independent of initial conditions, but if the contact is coupled, the steady-state response depends on initial conditions. In this paper, two metrics for quantifying coupling in discrete frictional systems are examined. These metrics suggest that coupling is dominated by material dissimilarity due to Dundurs’ composite material parameter β when β ≥ 0.2, but geometric mismatchmore » becomes the dominant source of coupling for smaller values of β. Based on a large set of numerical simulations with different contact geometries, material combinations, and friction coefficients, a contact’s sensitivity to initial conditions is found to be correlated with the product of the coupling metric and the friction coefficient. For cyclic shear loading, this correlation is maintained for simulations with different contact geometries, material combinations, and friction coefficients. Furthermore, for cyclic bulk loading, the correlation is only maintained when the contact edge angle is held constant.« less

Predicting a contact's sensitivity to initial conditions using metrics of frictional coupling

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

Flicek, Robert C.; Hills, David A.; Brake, Matthew Robert W.

This paper presents a method for predicting how sensitive a frictional contact’s steady-state behavior is to its initial conditions. Previous research has proven that if a contact is uncoupled, i.e. if slip displacements do not influence the contact pressure distribution, then its steady-state response is independent of initial conditions, but if the contact is coupled, the steady-state response depends on initial conditions. In this paper, two metrics for quantifying coupling in discrete frictional systems are examined. These metrics suggest that coupling is dominated by material dissimilarity due to Dundurs’ composite material parameter β when β ≥ 0.2, but geometric mismatchmore » becomes the dominant source of coupling for smaller values of β. Based on a large set of numerical simulations with different contact geometries, material combinations, and friction coefficients, a contact’s sensitivity to initial conditions is found to be correlated with the product of the coupling metric and the friction coefficient. For cyclic shear loading, this correlation is maintained for simulations with different contact geometries, material combinations, and friction coefficients. Furthermore, for cyclic bulk loading, the correlation is only maintained when the contact edge angle is held constant.« less

A new equilibrium torus solution and GRMHD initial conditions

NASA Astrophysics Data System (ADS)

Penna, Robert F.; Kulkarni, Akshay; Narayan, Ramesh

2013-11-01

Context. General relativistic magnetohydrodynamic (GRMHD) simulations are providing influential models for black hole spin measurements, gamma ray bursts, and supermassive black hole feedback. Many of these simulations use the same initial condition: a rotating torus of fluid in hydrostatic equilibrium. A persistent concern is that simulation results sometimes depend on arbitrary features of the initial torus. For example, the Bernoulli parameter (which is related to outflows), appears to be controlled by the Bernoulli parameter of the initial torus. Aims: In this paper, we give a new equilibrium torus solution and describe two applications for the future. First, it can be used as a more physical initial condition for GRMHD simulations than earlier torus solutions. Second, it can be used in conjunction with earlier torus solutions to isolate the simulation results that depend on initial conditions. Methods: We assume axisymmetry, an ideal gas equation of state, constant entropy, and ignore self-gravity. We fix an angular momentum distribution and solve the relativistic Euler equations in the Kerr metric. Results: The Bernoulli parameter, rotation rate, and geometrical thickness of the torus can be adjusted independently. Our torus tends to be more bound and have a larger radial extent than earlier torus solutions. Conclusions: While this paper was in preparation, several GRMHD simulations appeared based on our equilibrium torus. We believe it will continue to provide a more realistic starting point for future simulations.

Simulation of ground-water flow in the Prairie du Chien-Jordan and overlying aquifers near the Mississippi River, Fridley, Minnesota

USGS Publications Warehouse

Lindgren, R.J.

1990-01-01

Spatially variable leakage to the confined-drift and St. Peter aquifers in the steady-state simulation for 1885-1930 ranged from 1.0 to 2.3 inches per year. Leakage to the confined-drift and St. Peter aquifers in the steady-state simulation for 1970-79 increased 0 to 3.0 inches per year above the initial steady-state results. This increase represents additional leakage caused by the lowering of hydraulic heads due to ground-water withdrawals. Simulated leakage to the confined-drift and St. Peter aquifers for the transient simulation for 1987 varied both seasonally (0.4 to 2.1 inches per stress period) and spatially (2.6 to 5.7 inches per year). 

RAINIER: A simulation tool for distributions of excited nuclear states and cascade fluctuations

DOE PAGES

Kirsch, L. E.; Bernstein, L. A.

2018-03-04

In this paper, a new code has been developed named RAINIER that simulates the γ-ray decay of discrete and quasi-continuum nuclear levels for a user-specified range of energy, angular momentum, and parity including a realistic treatment of level spacing and transition width fluctuations. A similar program, DICEBOX, uses the Monte Carlo method to simulate level and width fluctuations but is restricted in its initial level population algorithm. On the other hand, modern reaction codes such as TALYS and EMPIRE populate a wide range of states in the residual nucleus prior to γ-ray decay, but do not go beyond the usemore » of deterministic functions and therefore neglect cascade fluctuations. This combination of capabilities allows RAINIER to be used to determine quasi-continuum properties through comparison with experimental data. Finally, several examples are given that demonstrate how cascade fluctuations influence experimental high-resolution γ-ray spectra from reactions that populate a wide range of initial states.« less

RAINIER: A simulation tool for distributions of excited nuclear states and cascade fluctuations

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

Kirsch, L. E.; Bernstein, L. A.

In this paper, a new code has been developed named RAINIER that simulates the γ-ray decay of discrete and quasi-continuum nuclear levels for a user-specified range of energy, angular momentum, and parity including a realistic treatment of level spacing and transition width fluctuations. A similar program, DICEBOX, uses the Monte Carlo method to simulate level and width fluctuations but is restricted in its initial level population algorithm. On the other hand, modern reaction codes such as TALYS and EMPIRE populate a wide range of states in the residual nucleus prior to γ-ray decay, but do not go beyond the usemore » of deterministic functions and therefore neglect cascade fluctuations. This combination of capabilities allows RAINIER to be used to determine quasi-continuum properties through comparison with experimental data. Finally, several examples are given that demonstrate how cascade fluctuations influence experimental high-resolution γ-ray spectra from reactions that populate a wide range of initial states.« less

Multi-particle eccentricities in collisions dominated by fluctuations

DOE PAGES

Bzdak, Adam; Skokov, Vladimir

2015-11-01

Here we compute analytically the multi-particle eccentricities, ϵ m{2n}, for systems dominated by fluctuations, such as proton–nucleus collisions at the Large Hadron Collider. In particular, we derive a general relation formore » $$\\langle$$ ϵ$$2n\\atop{2}$$ $$\\rangle$$. We further discuss the relations between various multi-particle eccentricities and demonstrate that ϵ 2{2}>ϵ 2{4}≃ϵ 2{6}≃ϵ 2{8}, in agreement with recent numerical calculations in a Glauber model.« less

Time evolution of a Gaussian class of quasi-distribution functions under quadratic Hamiltonian.

PubMed

Ginzburg, D; Mann, A

2014-03-10

A Lie algebraic method for propagation of the Wigner quasi-distribution function (QDF) under quadratic Hamiltonian was presented by Zoubi and Ben-Aryeh. We show that the same method can be used in order to propagate a rather general class of QDFs, which we call the "Gaussian class." This class contains as special cases the well-known Wigner, Husimi, Glauber, and Kirkwood-Rihaczek QDFs. We present some examples of the calculation of the time evolution of those functions.

Dynamic hysteresis behaviors in the kinetic Ising system on triangular lattice

NASA Astrophysics Data System (ADS)

Kantar, Ersin; Ertaş, Mehmet

2018-04-01

We studied dynamic hysteresis behaviors of the spin-1 Blume-Capel (BC) model in a triangular lattice by means of the effective-field theory (EFT) with correlations and using Glauber-type stochastic dynamics. The effects of the exchange interaction (J), crystal field (D), temperature (T) and oscillating frequency (w) on the hysteresis behaviors of the BC model in a triangular lattice are investigated in detail. Results are compared with some other dynamic studies and quantitatively good agreement is found.

Heat storage capability of a rolling cylinder using Glauber's salt

NASA Technical Reports Server (NTRS)

Herrick, C. S.; Zarnoch, K. P.

1980-01-01

The rolling cylinder phase change heat storage concept was developed to the point where a prototype design is completed and a cost analysis is prepared. A series of experimental and analytical tasks are defined to establish the thermal, mechanical, and materials behavior of rolling cylinder devices. These tasks include: analyses of internal and external heat transfer; performance and lifetime testing of the phase change materials; corrosion evaluation; development of a mathematical model; and design of a prototype and associated test equipment.

Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. II. Ab initio multiple spawning simulations

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

Glover, William J.; Mori, Toshifumi; Schuurman, Michael S.

The excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene (BD), has long been the subject of controversy due to its strong coupling, ultrafast time scales and the difficulties that theory faces in describing the relevant electronic states in a balanced fashion. Here we apply Ab Initio Multiple Spawning (AIMS) using state-averaged complete active space multistate second order perturbation theory [SA-3-CAS(4/4)-MSPT2] which describes both static and dynamic electron correlation effects, providing a balanced description of both the initially prepared bright 1 1B u (ππ*) state and non-adiabatically coupled dark 2 1A g state of BD. Importantly, AIMS allows formore » on-the-fly calculations of experimental observables. We validate our approach by directly simulating the time resolved photoelectron-photoion coincidence spectroscopy results presented in Paper I [A. E. Boguslavskiy et al., J. Chem. Phys. 148, 164302 (2018)], demonstrating excellent agreement with experiment. Our simulations reveal that the initial excitation to the 1 1B u state rapidly evolves via wavepacket dynamics that follow both bright- and dark-state pathways as well as mixtures of these. In order to test the sensitivity of the AIMS results to the relative ordering of states, we considered two hypothetical scenarios biased toward either the bright 1B u or the dark 2 1A g state. In contrast with AIMS/SA-3-CAS(4/4)-MSPT2 simulations, neither of these scenarios yields favorable agreement with experiment. Thus, we conclude that the excited state non-adiabatic dynamics in BD involves both of these ultrafast pathways.« less

Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. II. Ab initio multiple spawning simulations.

PubMed

Glover, William J; Mori, Toshifumi; Schuurman, Michael S; Boguslavskiy, Andrey E; Schalk, Oliver; Stolow, Albert; Martínez, Todd J

2018-04-28

The excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene (BD), has long been the subject of controversy due to its strong coupling, ultrafast time scales and the difficulties that theory faces in describing the relevant electronic states in a balanced fashion. Here we apply Ab Initio Multiple Spawning (AIMS) using state-averaged complete active space multistate second order perturbation theory [SA-3-CAS(4/4)-MSPT2] which describes both static and dynamic electron correlation effects, providing a balanced description of both the initially prepared bright 1 1 B u (ππ*) state and non-adiabatically coupled dark 2 1 A g state of BD. Importantly, AIMS allows for on-the-fly calculations of experimental observables. We validate our approach by directly simulating the time resolved photoelectron-photoion coincidence spectroscopy results presented in Paper I [A. E. Boguslavskiy et al., J. Chem. Phys. 148, 164302 (2018)], demonstrating excellent agreement with experiment. Our simulations reveal that the initial excitation to the 1 1 B u state rapidly evolves via wavepacket dynamics that follow both bright- and dark-state pathways as well as mixtures of these. In order to test the sensitivity of the AIMS results to the relative ordering of states, we considered two hypothetical scenarios biased toward either the bright 1 B u or the dark 2 1 A g state. In contrast with AIMS/SA-3-CAS(4/4)-MSPT2 simulations, neither of these scenarios yields favorable agreement with experiment. Thus, we conclude that the excited state non-adiabatic dynamics in BD involves both of these ultrafast pathways.

Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. II. Ab initio multiple spawning simulations

DOE PAGES

Glover, William J.; Mori, Toshifumi; Schuurman, Michael S.; ...

2018-04-28

The excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene (BD), has long been the subject of controversy due to its strong coupling, ultrafast time scales and the difficulties that theory faces in describing the relevant electronic states in a balanced fashion. Here we apply Ab Initio Multiple Spawning (AIMS) using state-averaged complete active space multistate second order perturbation theory [SA-3-CAS(4/4)-MSPT2] which describes both static and dynamic electron correlation effects, providing a balanced description of both the initially prepared bright 1 1B u (ππ*) state and non-adiabatically coupled dark 2 1A g state of BD. Importantly, AIMS allows formore » on-the-fly calculations of experimental observables. We validate our approach by directly simulating the time resolved photoelectron-photoion coincidence spectroscopy results presented in Paper I [A. E. Boguslavskiy et al., J. Chem. Phys. 148, 164302 (2018)], demonstrating excellent agreement with experiment. Our simulations reveal that the initial excitation to the 1 1B u state rapidly evolves via wavepacket dynamics that follow both bright- and dark-state pathways as well as mixtures of these. In order to test the sensitivity of the AIMS results to the relative ordering of states, we considered two hypothetical scenarios biased toward either the bright 1B u or the dark 2 1A g state. In contrast with AIMS/SA-3-CAS(4/4)-MSPT2 simulations, neither of these scenarios yields favorable agreement with experiment. Thus, we conclude that the excited state non-adiabatic dynamics in BD involves both of these ultrafast pathways.« less

Survival of pq -superstrings in field theory simulations

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

Lizarraga, Joanes; Urrestilla, Jon, E-mail: joanes.lizarraga@ehu.eus, E-mail: jon.urrestilla@ehu.eus

2016-04-01

We perform large-scale field theoretical simulations in expanding universe to characterize a network of strings that can form composed bound states. The network consists of two copies of Abelian Higgs strings (which we label p and q , respectively) coupled via a potential term to give pq bound states. The simulations are performed using two different kinds of initial conditions: the first one with a network of p - and q -strings, and the second one with a network of q - and pq -strings. This way, we start from two opposite situations: one with no initial pq -strings, andmore » one with a large initial number of pq -strings. We find that in both cases the system scales, and in both cases the system prefers to have a low fraction of pq -strings. This is somewhat surprising in the case for the second type of conditions, showing that the unzipping mechanism is very efficient. We also find hints that both initial conditions tend to asymptote to a common configuration, though we would need a larger dynamical range to confirm it. The average velocities of the different types of strings in the network have also been explored for the first time.« less

Measurement of contact-angle hysteresis for droplets on nanopillared surface and in the Cassie and Wenzel states: a molecular dynamics simulation study.

PubMed

Koishi, Takahiro; Yasuoka, Kenji; Fujikawa, Shigenori; Zeng, Xiao Cheng

2011-09-27

We perform large-scale molecular dynamics simulations to measure the contact-angle hysteresis for a nanodroplet of water placed on a nanopillared surface. The water droplet can be in either the Cassie state (droplet being on top of the nanopillared surface) or the Wenzel state (droplet being in contact with the bottom of nanopillar grooves). To measure the contact-angle hysteresis in a quantitative fashion, the molecular dynamics simulation is designed such that the number of water molecules in the droplets can be systematically varied, but the number of base nanopillars that are in direct contact with the droplets is fixed. We find that the contact-angle hysteresis for the droplet in the Cassie state is weaker than that in the Wenzel state. This conclusion is consistent with the experimental observation. We also test a different definition of the contact-angle hysteresis, which can be extended to estimate hysteresis between the Cassie and Wenzel state. The idea is motivated from the appearance of the hysteresis loop typically seen in computer simulation of the first-order phase transition, which stems from the metastability of a system in different thermodynamic states. Since the initial shape of the droplet can be controlled arbitrarily in the computer simulation, the number of base nanopillars that are in contact with the droplet can be controlled as well. We show that the measured contact-angle hysteresis according to the second definition is indeed very sensitive to the initial shape of the droplet. Nevertheless, the contact-angle hystereses measured based on the conventional and new definition seem converging in the large droplet limit. © 2011 American Chemical Society

WestPro: a computer program for simulating uneven-aged Douglas-fir stand growth and yield in the Pacific Northwest.

Treesearch

Rebecca Ralston; Joseph Buongiorno; Benedict Schulte; Jeremy Fried

2003-01-01

WestPro is an add-in program designed to work with Microsoft Excel to simulate the growth of uneven-aged Douglas-fir (Pseudotsuga menziesii (Mirb.) Franco) stands in the Pacific Northwest region of the United States. Given the initial stand state, defined as the number of softwood and hardwood trees per acre by diameter class, WestPro predicts the...

Physics-based statistical learning approach to mesoscopic model selection.

PubMed

Taverniers, Søren; Haut, Terry S; Barros, Kipton; Alexander, Francis J; Lookman, Turab

2015-11-01

In materials science and many other research areas, models are frequently inferred without considering their generalization to unseen data. We apply statistical learning using cross-validation to obtain an optimally predictive coarse-grained description of a two-dimensional kinetic nearest-neighbor Ising model with Glauber dynamics (GD) based on the stochastic Ginzburg-Landau equation (sGLE). The latter is learned from GD "training" data using a log-likelihood analysis, and its predictive ability for various complexities of the model is tested on GD "test" data independent of the data used to train the model on. Using two different error metrics, we perform a detailed analysis of the error between magnetization time trajectories simulated using the learned sGLE coarse-grained description and those obtained using the GD model. We show that both for equilibrium and out-of-equilibrium GD training trajectories, the standard phenomenological description using a quartic free energy does not always yield the most predictive coarse-grained model. Moreover, increasing the amount of training data can shift the optimal model complexity to higher values. Our results are promising in that they pave the way for the use of statistical learning as a general tool for materials modeling and discovery.

Disentangling flow and signals of Chiral Magnetic Effect in U+U, Au+Au and p+Au collisions

NASA Astrophysics Data System (ADS)

Tribedy, Prithwish; STAR Collaboration

2017-11-01

We present STAR measurements of the charge-dependent three-particle correlator γ a , b = 〈 cos ⁡ (ϕ1a + ϕ2b - 2ϕ3) 〉 /v2 { 2 } and elliptic flow v2 { 2 } in U+U, Au+Au and p+Au collisions at RHIC. The difference Δγ = γ (opposite-sign) - γ (same-sign) measures charge separation across the reaction plane, a predicted signal of the Chiral Magnetic Effect (CME). Although charge separation has been observed, it has been argued that the measured separation can also be explained by elliptic flow related backgrounds. In order to separate the two effects we perform measurements of the γ-correlator where background expectations differ from magnetic field driven effects. A differential measurement of γ with the relative pseudorapidity (Δη) between the first and second particles indicate that Δγ in peripheral A+A and p+A collisions are dominated by short-range correlations in Δη. However, a relatively wider component of the correlation in Δη tends to vanish the same way as projected magnetic field as predicted by MC-Glauber simulations.

A Comparison of Grid-based and SPH Binary Mass-transfer and Merger Simulations

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

Motl, Patrick M.; Frank, Juhan; Clayton, Geoffrey C.

2017-04-01

There is currently a great amount of interest in the outcomes and astrophysical implications of mergers of double degenerate binaries. In a commonly adopted approximation, the components of such binaries are represented by polytropes with an index of n  = 3/2. We present detailed comparisons of stellar mass-transfer and merger simulations of polytropic binaries that have been carried out using two very different numerical algorithms—a finite-volume “grid” code and a smoothed-particle hydrodynamics (SPH) code. We find that there is agreement in both the ultimate outcomes of the evolutions and the intermediate stages if the initial conditions for each code are chosen to matchmore » as closely as possible. We find that even with closely matching initial setups, the time it takes to reach a concordant evolution differs between the two codes because the initial depth of contact cannot be matched exactly. There is a general tendency for SPH to yield higher mass transfer rates and faster evolution to the final outcome. We also present comparisons of simulations calculated from two different energy equations: in one series, we assume a polytropic equation of state and in the other series an ideal gas equation of state. In the latter series of simulations, an atmosphere forms around the accretor, which can exchange angular momentum and cause a more rapid loss of orbital angular momentum. In the simulations presented here, the effect of the ideal equation of state is to de-stabilize the binary in both SPH and grid simulations, but the effect is more pronounced in the grid code.« less

Replica exchange enveloping distribution sampling (RE-EDS): A robust method to estimate multiple free-energy differences from a single simulation.

PubMed

Sidler, Dominik; Schwaninger, Arthur; Riniker, Sereina

2016-10-21

In molecular dynamics (MD) simulations, free-energy differences are often calculated using free energy perturbation or thermodynamic integration (TI) methods. However, both techniques are only suited to calculate free-energy differences between two end states. Enveloping distribution sampling (EDS) presents an attractive alternative that allows to calculate multiple free-energy differences in a single simulation. In EDS, a reference state is simulated which "envelopes" the end states. The challenge of this methodology is the determination of optimal reference-state parameters to ensure equal sampling of all end states. Currently, the automatic determination of the reference-state parameters for multiple end states is an unsolved issue that limits the application of the methodology. To resolve this, we have generalised the replica-exchange EDS (RE-EDS) approach, introduced by Lee et al. [J. Chem. Theory Comput. 10, 2738 (2014)] for constant-pH MD simulations. By exchanging configurations between replicas with different reference-state parameters, the complexity of the parameter-choice problem can be substantially reduced. A new robust scheme to estimate the reference-state parameters from a short initial RE-EDS simulation with default parameters was developed, which allowed the calculation of 36 free-energy differences between nine small-molecule inhibitors of phenylethanolamine N-methyltransferase from a single simulation. The resulting free-energy differences were in excellent agreement with values obtained previously by TI and two-state EDS simulations.

Simulation of Ejecta Production and Mixing Process of Sn Sample under shock loading

NASA Astrophysics Data System (ADS)

Wang, Pei; Chen, Dawei; Sun, Haiquan; Ma, Dongjun

2017-06-01

Ejection may occur when a strong shock wave release at the free surface of metal material and the ejecta of high-speed particulate matter will be formed and further mixed with the surrounding gas. Ejecta production and its mixing process has been one of the most difficult problems in shock physics remain unresolved, and have many important engineering applications in the imploding compression science. The present paper will introduce a methodology for the theoretical modeling and numerical simulation of the complex ejection and mixing process. The ejecta production is decoupled with the particle mixing process, and the ejecta state can be achieved by the direct numerical simulation for the evolution of initial defect on the metal surface. Then the particle mixing process can be simulated and resolved by a two phase gas-particle model which uses the aforementioned ejecta state as the initial condition. A preliminary ejecta experiment of planar Sn metal Sample has validated the feasibility of the proposed methodology.

Enhancing the absorption and energy transfer process via quantum entanglement

NASA Astrophysics Data System (ADS)

Zong, Xiao-Lan; Song, Wei; Zhou, Jian; Yang, Ming; Yu, Long-Bao; Cao, Zhuo-Liang

2018-07-01

The quantum network model is widely used to describe the dynamics of excitation energy transfer in photosynthesis complexes. Different from the previous schemes, we explore a specific network model, which includes both light-harvesting and energy transfer process. Here, we define a rescaled measure to manifest the energy transfer efficiency from external driving to the sink, and the external driving fields are used to simulate the energy absorption process. To study the role of initial state in the light-harvesting and energy transfer process, we assume the initial state of the donors to be two-qubit and three-qubit entangled states, respectively. In the two-qubit initial state case, we find that the initial entanglement between the donors can help to improve the absorption and energy transfer process for both the near-resonant and large-detuning cases. For the case of three-qubit initial state, we can see that the transfer efficiency will reach a larger value faster in the tripartite entanglement case compared to the bipartite entanglement case.

Perturbation Effects on a Supercritical C7H16/N2 Mixing Layer

NASA Technical Reports Server (NTRS)

Okongo'o, Nora; Bellan, Josette

2008-01-01

A computational-simulation study has been presented of effects of perturbation wavelengths and initial Reynolds numbers on the transition to turbulence of a heptane/nitrogen mixing layer at supercritical pressure. The governing equations for the simulations were the same as those of related prior studies reported in NASA Tech Briefs. Two-dimensional (2D) simulations were performed with initially im posed span wise perturbations whereas three-dimensional (3D) simulations had both streamwise and spanwise initial perturbations. The 2D simulations were undertaken to ascertain whether perturbations having the shortest unstable wavelength obtained from a linear stability analysis for inviscid flow are unstable in viscous nonlinear flows. The goal of the 3D simulations was to ascertain whether perturbing the mixing layer at different wavelengths affects the transition to turbulence. It was found that transitions to turbulence can be obtained at different perturbation wavelengths, provided that they are longer than the shortest unstable wavelength as determined by 2D linear stability analysis for the inviscid case and that the initial Reynolds number is proportionally increased as the wavelength is decreased. The transitional states thus obtained display different dynamic and mixture characteristics, departing strongly from the behaviors of perfect gases and ideal mixtures.

A mapping variable ring polymer molecular dynamics study of condensed phase proton-coupled electron transfer

NASA Astrophysics Data System (ADS)

Pierre, Sadrach; Duke, Jessica R.; Hele, Timothy J. H.; Ananth, Nandini

2017-12-01

We investigate the mechanisms of condensed phase proton-coupled electron transfer (PCET) using Mapping-Variable Ring Polymer Molecular Dynamics (MV-RPMD), a recently developed method that employs an ensemble of classical trajectories to simulate nonadiabatic excited state dynamics. Here, we construct a series of system-bath model Hamiltonians for the PCET, where four localized electron-proton states are coupled to a thermal bath via a single solvent mode, and we employ MV-RPMD to simulate state population dynamics. Specifically, for each model, we identify the dominant PCET mechanism, and by comparing against rate theory calculations, we verify that our simulations correctly distinguish between concerted PCET, where the electron and proton transfer together, and sequential PCET, where either the electron or the proton transfers first. This work represents a first application of MV-RPMD to multi-level condensed phase systems; we introduce a modified MV-RPMD expression that is derived using a symmetric rather than asymmetric Trotter discretization scheme and an initialization protocol that uses a recently derived population estimator to constrain trajectories to a dividing surface. We also demonstrate that, as expected, the PCET mechanisms predicted by our simulations are robust to an arbitrary choice of the initial dividing surface.

Reconstruction of initial pressure from limited view photoacoustic images using deep learning

NASA Astrophysics Data System (ADS)

Waibel, Dominik; Gröhl, Janek; Isensee, Fabian; Kirchner, Thomas; Maier-Hein, Klaus; Maier-Hein, Lena

2018-02-01

Quantification of tissue properties with photoacoustic (PA) imaging typically requires a highly accurate representation of the initial pressure distribution in tissue. Almost all PA scanners reconstruct the PA image only from a partial scan of the emitted sound waves. Especially handheld devices, which have become increasingly popular due to their versatility and ease of use, only provide limited view data because of their geometry. Owing to such limitations in hardware as well as to the acoustic attenuation in tissue, state-of-the-art reconstruction methods deliver only approximations of the initial pressure distribution. To overcome the limited view problem, we present a machine learning-based approach to the reconstruction of initial pressure from limited view PA data. Our method involves a fully convolutional deep neural network based on a U-Net-like architecture with pixel-wise regression loss on the acquired PA images. It is trained and validated on in silico data generated with Monte Carlo simulations. In an initial study we found an increase in accuracy over the state-of-the-art when reconstructing simulated linear-array scans of blood vessels.

The Effect of Varied Initial Conditions on the Evolution of Protoplanetary Disks

NASA Astrophysics Data System (ADS)

Michael, Scott A.; Durisen, R. H.; Boley, A. C.

2006-12-01

We present a series of three-dimensional hydrodynamics simulations of gravitationally unstable protoplanetary disks with globally constant cooling times. The purpose of these simulations is to study the effects of varying the initial surface density profile, equation of state, and cooling time. All non-fragmenting disks exhibit the same phases of evolution described by Mejía et al. (2005) axisymmetric cooling, a burst in a well-defined multi-armed mode, and a transition to an asymptotic behavior in which heating and cooling are roughly balanced over much of the disk. The burst tends to be weaker for initial surface density profiles that fall more steeply with r. Regardless of initial surface density profile, the outer disk redistributes its mass to follow an approximate Σ ∝ r-5/2 power law. Comparison of different equations of state show that, for a given cooling time, a disk with γ = 7/5 is more likely to fragment than one with γ = 5/3. By varying the cooling time with both equations of state, we are able to confirm the tcoolΩ < 8.25 and 5.14 fragmentation criterion for γ = 7/5 and 5/3, respectively, as found by Rice et al. (2005).

Event-by-event distribution of the ratio of magnetic field energy to initial fluid energy density in √{sN N}=200 GeV Au-Au collisions

NASA Astrophysics Data System (ADS)

Roy, Victor; Pu, Shi

2015-12-01

We estimate the event-by-event (e-by-e) distribution of the ratio (σ ) of the magnetic and electric field energy density to the fluid energy density in the transverse plane of Au-Au collisions at √{sN N}=200 GeV. A Monte Carlo (MC) Glauber model is used to calculate σ in the transverse plane for impact parameter b =0 , 12 fm at time τi˜0.5 fm. The fluid energy density is obtained by using Gaussian smoothing with two different smoothing parameter σg=0.25 , 0.5 fm. For b =0 fm collisions σ is found to be ≪1 in the central region of the fireball and σ ≳1 at the periphery. For b =12 fm collisions σ ≳1 is observed for some events. The e-by-e correlation between σ and the fluid energy density (ɛ ) is studied. We did not find strong correlation between σ and ɛ at the center of the fireball, whereas they are mostly anticorrelated at the periphery of the fireball.

Modeling Initiation in Exploding Bridgewire Detonators

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

Hrousis, C A

2005-05-18

One- and two-dimensional models of initiation in detonators are being developed for the purpose of evaluating the performance of aged and modified detonator designs. The models focus on accurate description of the initiator, whether it be an EBW (exploding bridgewire) that directly initiates a high explosive powder or an EBF (exploding bridgefoil) that sends an inert flyer into a dense HE pellet. The explosion of the initiator is simulated using detailed MHD equations of state as opposed to specific action-based phenomenological descriptions. The HE is modeled using the best available JWL equations of state. Results to date have been promising,more » however, work is still in progress.« less

Quantification of the memory effect of steady-state currents from interaction-induced transport in quantum systems

NASA Astrophysics Data System (ADS)

Lai, Chen-Yen; Chien, Chih-Chun

2017-09-01

Dynamics of a system in general depends on its initial state and how the system is driven, but in many-body systems the memory is usually averaged out during evolution. Here, interacting quantum systems without external relaxations are shown to retain long-time memory effects in steady states. To identify memory effects, we first show quasi-steady-state currents form in finite, isolated Bose- and Fermi-Hubbard models driven by interaction imbalance and they become steady-state currents in the thermodynamic limit. By comparing the steady-state currents from different initial states or ramping rates of the imbalance, long-time memory effects can be quantified. While the memory effects of initial states are more ubiquitous, the memory effects of switching protocols are mostly visible in interaction-induced transport in lattices. Our simulations suggest that the systems enter a regime governed by a generalized Fick's law and memory effects lead to initial-state-dependent diffusion coefficients. We also identify conditions for enhancing memory effects and discuss possible experimental implications.

Universal Features of Metastable State Energies in Cellular Matter

NASA Astrophysics Data System (ADS)

Kim, Sangwoo; Wang, Yiliang; Hilgenfeldt, Sascha

2018-06-01

Mechanical equilibrium states of cellular matter are overwhelmingly metastable and separated from each other by topology changes. Using theory and simulations, it is shown that for a wide class of energy functionals in 2D, including those describing tissue cell layers, local energy differences between neighboring metastable states as well as global energy differences between initial states and ground states are governed by simple, universal relations. Knowledge of instantaneous length of an edge undergoing a T 1 transition is sufficient to predict local energy changes, while the initial edge length distribution yields a successful prediction for the global energy difference. An analytical understanding of the model parameters is provided.

Combining remote sensing and watershed modeling for regional-scale carbon cycling studies in disturbance-prone systems

NASA Astrophysics Data System (ADS)

Hanan, E. J.; Tague, C.; Choate, J.; Liu, M.; Adam, J. C.

2016-12-01

Disturbance is a major force regulating C dynamics in terrestrial ecosystems. Evaluating future C balance in disturbance-prone systems requires understanding the underlying mechanisms that drive ecosystem processes over multiple scales of space and time. Simulation modeling is a powerful tool for bridging these scales, however, model projections are limited by large uncertainties in the initial state of vegetation C and N stores. Watershed models typically use one of two methods to initialize these stores. Spin up involves running a model until vegetation reaches steady state based on climate. This "potential" state however assumes the vegetation across the entire watershed has reached maturity and has a homogeneous age distribution. Yet to reliably represent C and N dynamics in disturbance-prone systems, models should be initialized to reflect their non-equilibrium conditions. Alternatively, remote sensing of a single vegetation parameter (typically leaf area index; LAI) can be combined with allometric relationships to allocate C and N to model stores and can reflect non-steady-state conditions. However, allometric relationships are species and region specific and do not account for environmental variation, thus resulting in C and N stores that may be unstable. To address this problem, we developed a new approach for initializing C and N pools using the watershed-scale ecohydrologic model RHESSys. The new approach merges the mechanistic stability of spinup with the spatial fidelity of remote sensing. Unlike traditional spin up, this approach supports non-homogeneous stand ages. We tested our approach in a pine-dominated watershed in central Idaho, which partially burned in July of 2000. We used LANDSAT and MODIS data to calculate LAI across the watershed following the 2000 fire. We then ran three sets of simulations using spin up, direct measurements, and the combined approach to initialize vegetation C and N stores, and compared our results to remotely sensed LAI following the simulation period. Model estimates of C, N, and water fluxes varied depending on which approach was used. The combined approach provided the best LAI estimates after 10 years of simulation. This method shows promise for improving projections of C, N, and water fluxes in disturbance-prone watersheds.

Is soil moisture initialization important for seasonal to decadal predictions?

NASA Astrophysics Data System (ADS)

Stacke, Tobias; Hagemann, Stefan

2014-05-01

The state of soil moisture can can have a significant impact on regional climate conditions for short time scales up to several months. However, focusing on seasonal to decadal time scales, it is not clear whether the predictive skill of global a Earth System Model might be enhanced by assimilating soil moisture data or improving the initial soil moisture conditions with respect to observations. As a first attempt to provide answers to this question, we set up an experiment to investigate the life time (memory) of extreme soil moisture states in the coupled land-atmosphere model ECHAM6-JSBACH, which is part of the Max Planck Institute for Meteorology's Earth System Model (MPI-ESM). This experiment consists of an ensemble of 3 years simulations which are initialized with extreme wet and dry soil moisture states for different seasons and years. Instead of using common thresholds like wilting point or critical soil moisture, the extreme states were extracted from a reference simulation to ensure that they are within the range of simulated climate variability. As a prerequisite for this experiment, the soil hydrology in JSBACH was improved by replacing the bucket-type soil hydrology scheme with a multi-layer scheme. This new scheme is a more realistic representation of the soil, including percolation and diffusion fluxes between up to five separate layers, the limitation of bare soil evaporation to the uppermost soil layer and the addition of a long term water storage below the root zone in regions with deep soil. While the hydrological cycle is not strongly affected by this new scheme, it has some impact on the simulated soil moisture memory which is mostly strengthened due to the additional deep layer water storage. Ensemble statistics of the initialization experiment indicate perturbation lengths between just a few days up to several seasons for some regions. In general, the strongest effects are seen for wet initialization during northern winter over cold and humid regions, while the shortest memory is found during northern spring. For most regions, the soil moisture memory is either sensitive to wet or to dry perturbations, indicating that soil moisture anomalies interact with the respective weather pattern for a given year and might be able to enhance or dampen extreme conditions. To further investigate this effect, the simulations will be repeated using JSBACH with prescribed meteorological forcing to better disentangle the direct effects of soil moisture initialization and the atmospheric response.

ADVANCED UTILITY SIMULATION MODEL, MULTI-PERIOD MULTI-STATE MODULE DESIGN DOCUMENTATION (VERSION 1.0)

EPA Science Inventory

The report is one of 11 in a series describing the initial development of the Advanced Utility Simulation Model (AUSM) by the Universities Research Group on Energy (URGE) and its continued development by the Science Applications International Corporation (SAIC) research team. The...

ADVANCED UTILITY SIMULATION MODEL DOCUMENTATION OF SYSTEM DESIGN STATE LEVEL MODEL (VERSION 1.0)

EPA Science Inventory

The report is one of 11 in a series describing the initial development of the Advanced Utility Simulation Model (AUSM) by the Universities Research Group on Energy (URGE) and its continued development by the Science Applications International Corporation (SAIC) research team. The...

Large-eddy simulations of a Salt Lake Valley cold-air pool

NASA Astrophysics Data System (ADS)

Crosman, Erik T.; Horel, John D.

2017-09-01

Persistent cold-air pools are often poorly forecast by mesoscale numerical weather prediction models, in part due to inadequate parameterization of planetary boundary-layer physics in stable atmospheric conditions, and also because of errors in the initialization and treatment of the model surface state. In this study, an improved numerical simulation of the 27-30 January 2011 cold-air pool in Utah's Great Salt Lake Basin is obtained using a large-eddy simulation with more realistic surface state characterization. Compared to a Weather Research and Forecasting model configuration run as a mesoscale model with a planetary boundary-layer scheme where turbulence is highly parameterized, the large-eddy simulation more accurately captured turbulent interactions between the stable boundary-layer and flow aloft. The simulations were also found to be sensitive to variations in the Great Salt Lake temperature and Salt Lake Valley snow cover, illustrating the importance of land surface state in modelling cold-air pools.

Molecular Dynamics Simulations of Shear Induced Transformations in Nitromethane

NASA Astrophysics Data System (ADS)

Larentzos, James; Steele, Brad

2017-06-01

Recent experiments demonstrate that NM undergoes explosive chemical initiation under compressive shear stress. The atomistic dynamics of the shear response of single-crystalline and bi-crystalline nitromethane (NM) are simulated using molecular dynamics simulations under high pressure conditions to aid in interpreting these experiments. The atomic interactions are described using a recently re-optimized ReaxFF-lg potential trained specifically for NM under pressure. The simulations demonstrate that the NM crystal transforms into a disordered state upon sufficient application of shear stress; its maximum value, shear angle, and atomic-scale dynamics being highly dependent on crystallographic orientation of the applied shear. Shear simulations in bi-crystalline NM show more complex behavior resulting in the appearance of the disordered state at the grain boundary.

Molecular Dynamics Simulations of Shear Induced Transformations in Nitromethane

NASA Astrophysics Data System (ADS)

Larentzos, James; Steele, Brad

Recent experiments demonstrate that NM undergoes explosive chemical initiation under compressive shear stress. The atomistic dynamics of the shear response of single-crystalline and bi-crystalline nitromethane (NM) are simulated using molecular dynamics simulations under high pressure conditions to aid in interpreting these experiments. The atomic interactions are described using a recently re-optimized ReaxFF-lg potential trained specifically for NM under pressure. The simulations demonstrate that the NM crystal transforms into a disordered state upon sufficient application of shear stress; its maximum value, shear angle, and atomic-scale dynamics being highly dependent on crystallographic orientation of the applied shear. Shear simulations in bi-crystalline NM show more complex behavior resulting in the appearance of the disordered state at the grain boundary.

An Overview of the State of the Art in Atomistic and Multiscale Simulation of Fracture

NASA Technical Reports Server (NTRS)

Saether, Erik; Yamakov, Vesselin; Phillips, Dawn R.; Glaessgen, Edward H.

2009-01-01

The emerging field of nanomechanics is providing a new focus in the study of the mechanics of materials, particularly in simulating fundamental atomic mechanisms involved in the initiation and evolution of damage. Simulating fundamental material processes using first principles in physics strongly motivates the formulation of computational multiscale methods to link macroscopic failure to the underlying atomic processes from which all material behavior originates. This report gives an overview of the state of the art in applying concurrent and sequential multiscale methods to analyze damage and failure mechanisms across length scales.

Azimuthal anisotropy in U+U collisions at STAR

DOE PAGES

Wang, Hui; Sorensen, Paul

2014-10-06

The azimuthal anisotropy of particle production is commonly used in high-energy nuclear collisions to study the early evolution of the expanding system. The prolate shape of uranium nuclei makes it possible to study how the geometry of the colliding nuclei affects final state anisotropies. It also provides a unique opportunity to understand how entropy is produced in heavy ion collisions. In this paper, the two- and four- particle cumulant v 2 (v 2{2} and v 2{4}) from U+U collisions at √ sNN = 193 GeV and Au+Au collisions at √ sNN = 200 GeV for inclusive charged hadrons will bemore » presented. The STAR Zero Degree Calorimeters are used to select very central collisions. Differences were observed between the multiplicity dependence of v 2{2} for most central Au+Au and U+U collisions. The multiplicity dependence of v 2{2} in central collisions were compared to Monte Carlo Glauber model predictions and it was seen that this model cannot explain the present results. (auth)« less

A Sequential Ensemble Prediction System at Convection Permitting Scales

NASA Astrophysics Data System (ADS)

Milan, M.; Simmer, C.

2012-04-01

A Sequential Assimilation Method (SAM) following some aspects of particle filtering with resampling, also called SIR (Sequential Importance Resampling), is introduced and applied in the framework of an Ensemble Prediction System (EPS) for weather forecasting on convection permitting scales, with focus to precipitation forecast. At this scale and beyond, the atmosphere increasingly exhibits chaotic behaviour and non linear state space evolution due to convectively driven processes. One way to take full account of non linear state developments are particle filter methods, their basic idea is the representation of the model probability density function by a number of ensemble members weighted by their likelihood with the observations. In particular particle filter with resampling abandons ensemble members (particles) with low weights restoring the original number of particles adding multiple copies of the members with high weights. In our SIR-like implementation we substitute the likelihood way to define weights and introduce a metric which quantifies the "distance" between the observed atmospheric state and the states simulated by the ensemble members. We also introduce a methodology to counteract filter degeneracy, i.e. the collapse of the simulated state space. To this goal we propose a combination of resampling taking account of simulated state space clustering and nudging. By keeping cluster representatives during resampling and filtering, the method maintains the potential for non linear system state development. We assume that a particle cluster with initially low likelihood may evolve in a state space with higher likelihood in a subsequent filter time thus mimicking non linear system state developments (e.g. sudden convection initiation) and remedies timing errors for convection due to model errors and/or imperfect initial condition. We apply a simplified version of the resampling, the particles with highest weights in each cluster are duplicated; for the model evolution for each particle pair one particle evolves using the forward model; the second particle, however, is nudged to the radar and satellite observation during its evolution based on the forward model.

The shift of harmonics with different initial vibrational states in the H{}_{2}^{+} molecular ion

NASA Astrophysics Data System (ADS)

Zhang, Jun; Pan, Xue-Fei; Xu, Tong-Tong; Liu, Xue-Shen

2017-05-01

Molecular high-order harmonic generation of H{}2+ and its isotopes is investigated by numerical simulations of the non-Born-Oppenheimer time-dependent Schrödinger equations. The general characteristic of the typical high-order harmonic generation (HHG) spectra for the H{}2+ molecule indicates that only the odd harmonics can be generated. Here we show that how the initial vibrational states and nuclear dynamics break down this standard characteristic, i.e. a redshift or blueshift of the harmonics appears. We investigate the effect of the initial vibrational states on the redshift or blueshift of the HHG spectrum under trapezoidal laser pulses. The ionization probability and time-frequency analysis are used to illustrate the physical mechanism of the shift of the harmonics. We also show the HHG spectra from the different isotopes of H2+ molecule with different initial vibrational states.

Base Camp Design Simulation Training

DTIC Science & Technology

2011-07-01

States Military Academy undertook a project to bring base camp design and development simulation support into the classrooms of the US Army Engineer...endeavor was to bring simulation support to Army classrooms . Initial discussions between the ORCEN and the Manuever Support Center of Excellence... classrooms . MSCoE acts as TRADOC’s proponent for base camps, subsequently delegated to the Engineer School (one of three branch schools overseen by

Magnetohydrodynamic Simulation of a Streamer Beside a Realistic Coronal Hole

NASA Technical Reports Server (NTRS)

Suess, S. T.; Wu, S. T.; Wang, A. H.; Poletto, G.

1994-01-01

Existing models of coronal streamers establish their credibility and act as the initial state for transients. The models have produced satisfactory streamer simulations, but unsatisfactory coronal hole simulations. This is a consequence of the character of the models and the boundary conditions. The models all have higher densities in the magnetically open regions than occur in coronal holes (Noci, et al., 1993).

A non-coaxial critical state soil model and its application to simple shear simulations

NASA Astrophysics Data System (ADS)

Yang, Yunming; Yu, H. S.

2006-11-01

The yield vertex non-coaxial theory is implemented into a critical state soil model, CASM (Int. J. Numer. Anal. Meth. Geomech. 1998; 22:621-653) to investigate the non-coaxial influences on the stress-strain simulations of real soil behaviour in the presence of principal stress rotations. The CASM is a unified clay and sand model, developed based on the soil critical state concept and the state parameter concept. Without loss of simplicity, it is capable of simulating the behaviour of sands and clays within a wide range of densities. The non-coaxial CASM is employed to simulate the simple shear responses of Erksak sand and Weald clay under different densities and initial stress states. Dependence of the soil behaviour on the Lode angle and different plastic flow rules in the deviatoric plane are also considered in the study of non-coaxial influences. All the predictions indicate that the use of the non-coaxial model makes the orientations of the principal stress and the principal strain rate different during the early stage of shearing, and they approach the same ultimate values with an increase in loading. These ultimate orientations are dependent on the density of soils, and independent of their initial stress states. The use of the non-coaxial model also softens the shear stress evolutions, compared with the coaxial model. It is also found that the ultimate shear strengths by using the coaxial and non-coaxial models are dependent on the plastic flow rules in the deviatoric plane. Copyright

Study of 1s internal bremsstrahlung spectrum from 57Co

NASA Astrophysics Data System (ADS)

Raghavendra, M. K.; Azeez, Syed; Ramaswamy, C. R.; Umesh, T. K.; Gowda, Ramakrishna

2002-07-01

The internal bremsstrahlung contribution from the electron capture of 57Co has been measured in coincidence with K-X-ray of the residual atom. The end-point energy (EPE) is extracted from the data using the linearised Jauch plot. The transition energy obtained using the (EPE) is 842.7 keV, which is close to the value given by Audi and Wapstra. The measured intensity and shape factor from 300 to 600 keV are found to be in good agreement with the Glauber and Martin theory.

Unifying distribution functions: some lesser known distributions.

PubMed

Moya-Cessa, J R; Moya-Cessa, H; Berriel-Valdos, L R; Aguilar-Loreto, O; Barberis-Blostein, P

2008-08-01

We show that there is a way to unify distribution functions that describe simultaneously a classical signal in space and (spatial) frequency and position and momentum for a quantum system. Probably the most well known of them is the Wigner distribution function. We show how to unify functions of the Cohen class, Rihaczek's complex energy function, and Husimi and Glauber-Sudarshan distribution functions. We do this by showing how they may be obtained from ordered forms of creation and annihilation operators and by obtaining them in terms of expectation values in different eigenbases.

Exploring the anomaly in the interaction cross section and matter radius of (23)O

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

Kanungo, R.; Uchida, M.; Perro, C.

New measurements of the interaction cross sections of {sup 22,23}O at 900A MeV performed at the GSI, Darmstadt are reported that address the unsolved puzzle of the large cross section previously observed for {sup 23}O. The matter radii for these oxygen isotopes extracted through a Glauber model analysis are in good agreement with the new predictions of the ab initio coupled-cluster theory reported here. They are consistent with a {sup 22}O + neutron description of {sup 23}O as well.

REX3DV1.0

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

Holm, Elizabeth A.

2002-03-28

This code is a FORTRAN code for three-dimensional Monte Carol Potts Model (MCPM) Recrystallization and grain growth. A continuum grain structure is mapped onto a three-dimensional lattice. The mapping procedure is analogous to color bitmapping the grain structure; grains are clusters of pixels (sites) of the same color (spin). The total system energy is given by the Pott Hamiltonian and the kinetics of grain growth are determined through a Monte Carlo technique with a nonconserved order parameter (Glauber dynamics). The code can be compiled and run on UNIX/Linux platforms.

All that glitters: fool's gold in the early-modern era.

PubMed

Roos, Anna Marie

2008-12-01

Natural philosophers of the early-modern period perceived fool's gold or iron pyrites as a substance required for the formation of metals, and chemists such as Johann Glauber speculated the vitriol produced from pyrites was the source of the legendary philosopher's stone. The sulphurous exhalations of fool's gold were also thought by members of the early Royal Society to be the basis of a variety of meteorological, geological and medical effects, including the production of thunder, lightning, earthquakes and volcanoes, fossilisation and petrifaction, as well as the principal cause of bladder and gallstones.

Numerical Modeling of the 2014 Oso, Washington, Landslide.

NASA Astrophysics Data System (ADS)

George, D. L.; Iverson, R. M.

2014-12-01

Numerical simulations of alternative scenarios that could have transpired during the Oso, Washington, landslide of 22 March 2014 provide insight into factors responsible for the landslide's devastating high-speed runout.We performed these simulations using D-Claw, a numerical model we recently developed to simulate landslide and debris-flow motion from initiation to deposition. D-Claw solves a hyperbolic system of five partial differential equations that describe simultaneous evolution of the thickness,solid volume fraction, basal pore-fluid pressure, and two components of momentum of the moving mass. D-Claw embodies the concept ofstate-dependent dilatancy, which causes the solid volume fraction m to evolve toward a value that is equilibrated to the ambient stress state andshear rate. As the value of m evolves, basal pore-fluid pressure coevolves,and thereby causes an evolution in frictional resistance to motion. Our Oso simulations considered alternative scenarios in which values of all model parameters except the initial solid volume fraction m0 were held constant.These values were: basal friction angle = 36°; static critical-state solidvolume fraction = 0.64; initial sediment permeability = 10-8 m2; pore-fluid density = 1100 kg/m3; sediment grain density = 2700 kg/m3; pore-fluid viscosity = 0.005 Pa-s; and dimensionless sediment compressibility coefficient = 0.03. Simulations performed using these values and m0 = 0.62 produced widespread landslide liquefaction, runaway acceleration, andlandslide runout distances, patterns and speeds similar to those observed or inferred for the devastating Oso event. Alternative simulations that usedm0 = 0.64 produced a much slower landslide that did not liquefy and that traveled only about 100 m before stopping. This relatively benign behavioris similar to that of several landslides at the Oso site prior to 2014. Our findings illustrate a behavioral bifurcation that is highly sensitive to the initial solid volume fraction. They suggest that the destructiveness of the2014 Oso event may have resulted in part from prior slope deformation that produced a dilated sediment state that made the sediment susceptible to contraction and liquefaction as it began to fail on March 22.

A gradual update method for simulating the steady-state solution of stiff differential equations in metabolic circuits.

PubMed

Shiraishi, Emi; Maeda, Kazuhiro; Kurata, Hiroyuki

2009-02-01

Numerical simulation of differential equation systems plays a major role in the understanding of how metabolic network models generate particular cellular functions. On the other hand, the classical and technical problems for stiff differential equations still remain to be solved, while many elegant algorithms have been presented. To relax the stiffness problem, we propose new practical methods: the gradual update of differential-algebraic equations based on gradual application of the steady-state approximation to stiff differential equations, and the gradual update of the initial values in differential-algebraic equations. These empirical methods show a high efficiency for simulating the steady-state solutions for the stiff differential equations that existing solvers alone cannot solve. They are effective in extending the applicability of dynamic simulation to biochemical network models.

Methods used to parameterize the spatially-explicit components of a state-and-transition simulation model

USGS Publications Warehouse

Sleeter, Rachel; Acevedo, William; Soulard, Christopher E.; Sleeter, Benjamin M.

2015-01-01

Spatially-explicit state-and-transition simulation models of land use and land cover (LULC) increase our ability to assess regional landscape characteristics and associated carbon dynamics across multiple scenarios. By characterizing appropriate spatial attributes such as forest age and land-use distribution, a state-and-transition model can more effectively simulate the pattern and spread of LULC changes. This manuscript describes the methods and input parameters of the Land Use and Carbon Scenario Simulator (LUCAS), a customized state-and-transition simulation model utilized to assess the relative impacts of LULC on carbon stocks for the conterminous U.S. The methods and input parameters are spatially explicit and describe initial conditions (strata, state classes and forest age), spatial multipliers, and carbon stock density. Initial conditions were derived from harmonization of multi-temporal data characterizing changes in land use as well as land cover. Harmonization combines numerous national-level datasets through a cell-based data fusion process to generate maps of primary LULC categories. Forest age was parameterized using data from the North American Carbon Program and spatially-explicit maps showing the locations of past disturbances (i.e. wildfire and harvest). Spatial multipliers were developed to spatially constrain the location of future LULC transitions. Based on distance-decay theory, maps were generated to guide the placement of changes related to forest harvest, agricultural intensification/extensification, and urbanization. We analyze the spatially-explicit input parameters with a sensitivity analysis, by showing how LUCAS responds to variations in the model input. This manuscript uses Mediterranean California as a regional subset to highlight local to regional aspects of land change, which demonstrates the utility of LUCAS at many scales and applications.

Euler-Lagrange Simulations of Shock Wave-Particle Cloud Interaction

NASA Astrophysics Data System (ADS)

Koneru, Rahul; Rollin, Bertrand; Ouellet, Frederick; Park, Chanyoung; Balachandar, S.

2017-11-01

Numerical experiments of shock interacting with an evolving and fixed cloud of particles are performed. In these simulations we use Eulerian-Lagrangian approach along with state-of-the-art point-particle force and heat transfer models. As validation, we use Sandia Multiphase Shock Tube experiments and particle-resolved simulations. The particle curtain upon interaction with the shock wave is expected to experience Kelvin-Helmholtz (KH) and Richtmyer-Meshkov (RM) instabilities. In the simulations evolving the particle cloud, the initial volume fraction profile matches with that of Sandia Multiphase Shock Tube experiments, and the shock Mach number is limited to M =1.66. Measurements of particle dispersion are made at different initial volume fractions. A detailed analysis of the influence of initial conditions on the evolution of the particle cloudis presented. The early time behavior of the models is studied in the fixed bed simulations at varying volume fractions and shock Mach numbers.The mean gas quantities are measured in the context of 1-way and 2-way coupled simulations. This work was supported by the U.S. Department of Energy, National Nuclear Security Administration, Advanced Simulation and Computing Program, as a Cooperative Agreement under the Predictive Science Academic Alliance Program, Contract No. DE-NA0002378.

Numerical Simulation of the 9-10 June 1972 Black Hills Storm Using CSU RAMS

NASA Technical Reports Server (NTRS)

Nair, U. S.; Hjelmfelt, Mark R.; Pielke, Roger A., Sr.

1997-01-01

Strong easterly flow of low-level moist air over the eastern slopes of the Black Hills on 9-10 June 1972 generated a storm system that produced a flash flood, devastating the area. Based on observations from this storm event, and also from the similar Big Thompson 1976 storm event, conceptual models have been developed to explain the unusually high precipitation efficiency. In this study, the Black Hills storm is simulated using the Colorado State University Regional Atmospheric Modeling System. Simulations with homogeneous and inhomogeneous initializations and different grid structures are presented. The conceptual models of storm structure proposed by previous studies are examined in light of the present simulations. Both homogeneous and inhomogeneous initialization results capture the intense nature of the storm, but the inhomogeneous simulation produced a precipitation pattern closer to the observed pattern. The simulations point to stationary tilted updrafts, with precipitation falling out to the rear as the preferred storm structure. Experiments with different grid structures point to the importance of removing the lateral boundaries far from the region of activity. Overall, simulation performance in capturing the observed behavior of the storm system was enhanced by use of inhomogeneous initialization.

Efficient state initialization by a quantum spectral filtering algorithm

NASA Astrophysics Data System (ADS)

Fillion-Gourdeau, François; MacLean, Steve; Laflamme, Raymond

2017-04-01

An algorithm that initializes a quantum register to a state with a specified energy range is given, corresponding to a quantum implementation of the celebrated Feit-Fleck method. This is performed by introducing a nondeterministic quantum implementation of a standard spectral filtering procedure combined with an apodization technique, allowing for accurate state initialization. It is shown that the implementation requires only two ancilla qubits. A lower bound for the total probability of success of this algorithm is derived, showing that this scheme can be realized using a finite, relatively low number of trials. Assuming the time evolution can be performed efficiently and using a trial state polynomially close to the desired states, it is demonstrated that the number of operations required scales polynomially with the number of qubits. Tradeoffs between accuracy and performance are demonstrated in a simple example: the harmonic oscillator. This algorithm would be useful for the initialization phase of the simulation of quantum systems on digital quantum computers.

Numerical time evolution of ETH spin chains by means of matrix product density operators

NASA Astrophysics Data System (ADS)

White, Christopher; Zaletel, Michael; Mong, Roger; Refael, Gil

We introduce a method for approximating density operators of 1D systems that, when combined with a standard framework for time evolution (TEBD), makes possible simulation of the dynamics of strongly thermalizing systems to arbitrary times. We demonstrate that the method works on both near-equilibrium initial states (Gibbs states with spatially varying temperatures) and far-from-equilibrium initial states, including quenches across phase transitions and pure states. This work was supported by the National Science Foundation Graduate Research Fellowship under Grant No. DGE \\x901144469 and by the Caltech IQIM, an NSF Physics Frontiers Center with support of the Gordon and Betty Moore.

Interdisciplinary Modeling and Dynamics of Archipelago Straits

DTIC Science & Technology

2009-01-01

modeling, tidal modeling and multi-dynamics nested domains and non-hydrostatic modeling WORK COMPLETED Realistic Multiscale Simulations, Real-time...six state variables (chlorophyll, nitrate , ammonium, detritus, phytoplankton, and zooplankton) were needed to initialize simulations. Using biological...parameters from literature, climatology from World Ocean Atlas data for nitrate and chlorophyll profiles extracted from satellite data, a first

Importance of convective parameterization in ENSO predictions

NASA Astrophysics Data System (ADS)

Zhu, Jieshun; Kumar, Arun; Wang, Wanqiu; Hu, Zeng-Zhen; Huang, Bohua; Balmaseda, Magdalena A.

2017-06-01

This letter explored the influence of atmospheric convection scheme on El Niño-Southern Oscillation (ENSO) predictions using a set of hindcast experiments. Specifically, a low-resolution version of the Climate Forecast System version 2 is used for 12 month hindcasts starting from each April during 1982-2011. The hindcast experiments are repeated with three atmospheric convection schemes. All three hindcasts apply the identical initialization with ocean initial conditions taken from the European Centre for Medium-Range Weather Forecasts and atmosphere/land initial states from the National Centers for Environmental Prediction. Assessments indicate a substantial sensitivity of the sea surface temperature prediction skill to the different convection schemes, particularly over the eastern tropical Pacific. For the Niño 3.4 index, the anomaly correlation skill can differ by 0.1-0.2 at lead times longer than 2 months. Long-term simulations are further conducted with the three convection schemes to understand the differences in prediction skill. By conducting heat budget analyses for the mixed-layer temperature anomalies, it is suggested that the convection scheme having the highest skill simulates stronger and more realistic coupled feedbacks related to ENSO. Particularly, the strength of the Ekman pumping feedback is better represented, which is traced to more realistic simulation of surface wind stress. Our results imply that improving the mean state simulations in coupled (ocean-atmosphere) general circulation model (e.g., ameliorating the Intertropical Convergence Zone simulation) might further improve our ENSO prediction capability.

Charged particle production in Pb-Pb collisions at the LHC with the ALICE detector

NASA Astrophysics Data System (ADS)

Floris, M.

2013-08-01

The ALICE collaboration measured charged particle production in √{sNN} = 2.76 TeV Pb-Pb collisions at the LHC. We report on results on charged particle multiplicity and transverse momentum spectra. All the results are presented as a function of the centrality of the collision, estimated with a Glauber Monte Carlo fit to multiplicity distributions reconstructed in various detectors. The applicability of the Glauber model at LHC energies, the precision of the centrality determination and the related systematic uncertainties are discussed in detail. Particles are tracked in the pseudorapidity window | η | ≲ 0.9 with the silicon Inner Tracking System (ITS) and the Time Projection Chamber (TPC), over the range 0.15

Interaction cross sections and matter radii of oxygen isotopes using the Glauber model

NASA Astrophysics Data System (ADS)

Ahmad, Suhel; Usmani, A. A.; Ahmad, Shakeb; Khan, Z. A.

2017-05-01

Using the Coulomb modified correlation expansion for the Glauber model S matrix, we calculate the interaction cross sections of oxygen isotopes (O-2616) on 12C at 1.0 GeV/nucleon. The densities of O-2616 are obtained using (i) the Slater determinants consisting of the harmonic oscillator single-particle wave functions (SDHO) and (ii) the relativistic mean-field approach (RMF). Retaining up to the two-body density term in the correlation expansion, the calculations are performed employing the free as well as the in-medium nucleon-nucleon (N N ) scattering amplitude. The in-medium N N amplitude considers the effects arising due to phase variation, higher momentum transfer components, and Pauli blocking. Our main focus in this work is to reveal how could one make the best use of SDHO densities with reference to the RMF one. The results demonstrate that the SDHO densities, along with the in-medium N N amplitude, are able to provide satisfactory explanation of the experimental data. It is found that, except for O,2423, the predicted SDHO matter rms radii of oxygen isotopes closely agree with those obtained using the RMF densities. However, for O,2423, our results require reasonably larger SDHO matter rms radii than the RMF values, thereby predicting thicker neutron skins in 23O and 24O as compared to RMF ones. In conclusion, the results of the present analysis establish the utility of SDHO densities in predicting fairly reliable estimates of the matter rms radii of neutron-rich nuclei.

CCSI and the role of advanced computing in accelerating the commercial deployment of carbon capture systems

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

Miller, David; Agarwal, Deborah A.; Sun, Xin

2011-09-01

The Carbon Capture Simulation Initiative is developing state-of-the-art computational modeling and simulation tools to accelerate the commercialization of carbon capture technology. The CCSI Toolset consists of an integrated multi-scale modeling and simulation framework, which includes extensive use of reduced order models (ROMs) and a comprehensive uncertainty quantification (UQ) methodology. This paper focuses on the interrelation among high performance computing, detailed device simulations, ROMs for scale-bridging, UQ and the integration framework.

CCSI and the role of advanced computing in accelerating the commercial deployment of carbon capture systems

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

Miller, D.; Agarwal, D.; Sun, X.

2011-01-01

The Carbon Capture Simulation Initiative is developing state-of-the-art computational modeling and simulation tools to accelerate the commercialization of carbon capture technology. The CCSI Toolset consists of an integrated multi-scale modeling and simulation framework, which includes extensive use of reduced order models (ROMs) and a comprehensive uncertainty quantification (UQ) methodology. This paper focuses on the interrelation among high performance computing, detailed device simulations, ROMs for scale-bridging, UQ and the integration framework.

Automated Classification of Phonological Errors in Aphasic Language

PubMed Central

Ahuja, Sanjeev B.; Reggia, James A.; Berndt, Rita S.

1984-01-01

Using heuristically-guided state space search, a prototype program has been developed to simulate and classify phonemic errors occurring in the speech of neurologically-impaired patients. Simulations are based on an interchangeable rule/operator set of elementary errors which represent a theory of phonemic processing faults. This work introduces and evaluates a novel approach to error simulation and classification, it provides a prototype simulation tool for neurolinguistic research, and it forms the initial phase of a larger research effort involving computer modelling of neurolinguistic processes.

A climatology and preliminary investigation of predictability of pristine nocturnal convective initiation in the central United States

NASA Astrophysics Data System (ADS)

Stelten, Sean; Gallus, William

2017-04-01

The prediction of convective initiation remains a challenge to forecasters in the central United States, especially for elevated events at night. This study examines a subset of 287 nocturnal elevated convective initiation events that occurred without direct influence from surface boundaries or pre-existing convection over a four-month period during the summer of 2015 (May, June, July, and August). Events were first classified into one of four types based on apparent formation mechanisms and location relative to any low-level jet. A climatology of each of the four types was performed focusing on general spatial tendencies over the central United States and initiation timing trends. Additionally, analysis of initiation elevation was performed. Simulations from five convection-allowing models available during the Plains Elevated Convection At Night (PECAN) field campaign, along with four versions of a 4km horizontal grid spacing Weather Research and Forecasting (WRF) model using different planetary boundary layer (PBL) parameterizations, were used to examine predictability of these types of convective initiation. The climatology revealed a dual-peak pattern for initiation timing with one peak near 0400 UTC and another 0700 UTC, and it was found that the dual peak structure was present for all four types of events, suggesting that the evolution of the low-level jet was not directly responsible for the twin peaks. Subtle differences in location and elevation of the initiation for the different types were identified. The convection-allowing models run during the PECAN project were found to be more deficient with location than timing. Threat scores typically averaged around 0.3 for the models, with false alarm ratios and hit rates both averaging around 0.5 to 0.6 for the various models. Initiation occurring within the low-level jet but far from a surface front was the one type that was occasionally missed by all five models examined. Once case for each of the four types was then simulated with four different configurations of a 4 km horizontal grid spacing WRF model. These WRF runs showed similar location errors and problems with initiating convection at a lower altitude than observed as was found from the simulations performed during PECAN. Three of the four PBL schemes behaved similarly, but one, the ACM2, was often an outlier, failing to indicate the convective initiation.

Basins of distinct asymptotic states in the cyclically competing mobile five species game

NASA Astrophysics Data System (ADS)

Kim, Beomseok; Park, Junpyo

2017-10-01

We study the dynamics of cyclic competing mobile five species on spatially extended systems originated from asymmetric initial populations and investigate the basins for the three possible asymptotic states, coexistence of all species, existences of only two independent species, and the extinction. Through extensive numerical simulations, we find a prosperous dependence on initial conditions for species biodiversity. In particular, for fixed given equal densities of two relevant species, we find that only five basins for the existence of two independent species exist and they are spirally entangled for high mobility. A basin of coexistence is outbreaking when the mobility parameter is decreased through a critical value and surrounded by the other five basins. For fixed given equal densities of two independent species, however, we find that basin structures are not spirally entangled. Further, final states of two independent species are totally different. For all possible considerations, the extinction state is not witnessed which is verified by the survival probability. To provide the validity of basin structures from lattice simulations, we analyze the system in mean-field manners. Consequently, results on macroscopic levels are matched to direct lattice simulations for high mobility regimes. These findings provide a good insight into the fundamental issue of the biodiversity among many species than previous cases.

ETARA PC version 3.3 user's guide: Reliability, availability, maintainability simulation model

NASA Technical Reports Server (NTRS)

Hoffman, David J.; Viterna, Larry A.

1991-01-01

A user's manual describing an interactive, menu-driven, personal computer based Monte Carlo reliability, availability, and maintainability simulation program called event time availability reliability (ETARA) is discussed. Given a reliability block diagram representation of a system, ETARA simulates the behavior of the system over a specified period of time using Monte Carlo methods to generate block failure and repair intervals as a function of exponential and/or Weibull distributions. Availability parameters such as equivalent availability, state availability (percentage of time as a particular output state capability), continuous state duration and number of state occurrences can be calculated. Initial spares allotment and spares replenishment on a resupply cycle can be simulated. The number of block failures are tabulated both individually and by block type, as well as total downtime, repair time, and time waiting for spares. Also, maintenance man-hours per year and system reliability, with or without repair, at or above a particular output capability can be calculated over a cumulative period of time or at specific points in time.

Longitudinal asymmetry and its effect on pseudorapidity distributions in Pb-Pb collisions at √{sNN } = 2.76 TeV

NASA Astrophysics Data System (ADS)

Acharya, S.; Adam, J.; Adamová, D.; Adolfsson, J.; Aggarwal, M. M.; Aglieri Rinella, G.; Agnello, M.; Agrawal, N.; Ahammed, Z.; Ahmad, N.; Ahn, S. U.; Aiola, S.; Akindinov, A.; Al-Turany, M.; Alam, S. N.; Alba, J. L. B.; Albuquerque, D. S. D.; Aleksandrov, D.; Alessandro, B.; Alfaro Molina, R.; Alici, A.; Alkin, A.; Alme, J.; Alt, T.; Altenkamper, L.; Altsybeev, I.; Alves Garcia Prado, C.; Andrei, C.; Andreou, D.; Andrews, H. A.; Andronic, A.; Anguelov, V.; Anson, C.; Antičić, T.; Antinori, F.; Antonioli, P.; Anwar, R.; Aphecetche, L.; Appelshäuser, H.; Arcelli, S.; Arnaldi, R.; Arnold, O. W.; Arsene, I. C.; Arslandok, M.; Audurier, B.; Augustinus, A.; Averbeck, R.; Azmi, M. D.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Baldisseri, A.; Ball, M.; Baral, R. C.; Barbano, A. M.; Barbera, R.; Barile, F.; Barioglio, L.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartalini, P.; Barth, K.; Bartsch, E.; Basile, M.; Bastid, N.; Basu, S.; Batigne, G.; Batyunya, B.; Batzing, P. C.; Bearden, I. G.; Beck, H.; Bedda, C.; Behera, N. K.; Belikov, I.; Bellini, F.; Bello Martinez, H.; Bellwied, R.; Beltran, L. G. E.; Belyaev, V.; Bencedi, G.; Beole, S.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Bertens, R. A.; Berzano, D.; Betev, L.; Bhasin, A.; Bhat, I. R.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, A.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Biro, G.; Biswas, R.; Biswas, S.; Blair, J. T.; Blau, D.; Blume, C.; Boca, G.; Bock, F.; Bogdanov, A.; Boldizsár, L.; Bombara, M.; Bonomi, G.; Bonora, M.; Book, J.; Borel, H.; Borissov, A.; Borri, M.; Botta, E.; Bourjau, C.; Bratrud, L.; Braun-Munzinger, P.; Bregant, M.; Broker, T. A.; Broz, M.; Brucken, E. J.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buhler, P.; Buncic, P.; Busch, O.; Buthelezi, Z.; Butt, J. B.; Buxton, J. T.; Cabala, J.; Caffarri, D.; Caines, H.; Caliva, A.; Calvo Villar, E.; Camerini, P.; Capon, A. A.; Carena, F.; Carena, W.; Carnesecchi, F.; Castillo Castellanos, J.; Castro, A. J.; Casula, E. A. R.; Ceballos Sanchez, C.; Cerello, P.; Chandra, S.; Chang, B.; Chapeland, S.; Chartier, M.; Chattopadhyay, S.; Chattopadhyay, S.; Chauvin, A.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Cho, S.; Chochula, P.; Chojnacki, M.; Choudhury, S.; Chowdhury, T.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Concas, M.; Conesa Balbastre, G.; Conesa Del Valle, Z.; Connors, M. E.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortés Maldonado, I.; Cortese, P.; Cosentino, M. R.; Costa, F.; Costanza, S.; Crkovská, J.; Crochet, P.; Cuautle, E.; Cunqueiro, L.; Dahms, T.; Dainese, A.; Danisch, M. C.; Danu, A.; Das, D.; Das, I.; Das, S.; Dash, A.; Dash, S.; de, S.; de Caro, A.; de Cataldo, G.; de Conti, C.; de Cuveland, J.; de Falco, A.; de Gruttola, D.; De Marco, N.; de Pasquale, S.; de Souza, R. D.; Degenhardt, H. F.; Deisting, A.; Deloff, A.; Deplano, C.; Dhankher, P.; di Bari, D.; di Mauro, A.; di Nezza, P.; di Ruzza, B.; Dietel, T.; Dillenseger, P.; Divià, R.; Djuvsland, Ø.; Dobrin, A.; Domenicis Gimenez, D.; Dönigus, B.; Dordic, O.; Doremalen, L. V. R.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Duggal, A. K.; Dukhishyam, M.; Dupieux, P.; Ehlers, R. J.; Elia, D.; Endress, E.; Engel, H.; Epple, E.; Erazmus, B.; Erhardt, F.; Espagnon, B.; Esumi, S.; Eulisse, G.; Eum, J.; Evans, D.; Evdokimov, S.; Fabbietti, L.; Faivre, J.; Fantoni, A.; Fasel, M.; Feldkamp, L.; Feliciello, A.; Feofilov, G.; Fernández Téllez, A.; Ferretti, A.; Festanti, A.; Feuillard, V. J. G.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Francisco, A.; Frankenfeld, U.; Fronze, G. G.; Fuchs, U.; Furget, C.; Furs, A.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A. M.; Gajdosova, K.; Gallio, M.; Galvan, C. D.; Ganoti, P.; Garabatos, C.; Garcia-Solis, E.; Garg, K.; Gargiulo, C.; Gasik, P.; Gauger, E. F.; Gay Ducati, M. B.; Germain, M.; Ghosh, J.; Ghosh, P.; Ghosh, S. K.; Gianotti, P.; Giubellino, P.; Giubilato, P.; Gladysz-Dziadus, E.; Glässel, P.; Goméz Coral, D. M.; Gomez Ramirez, A.; Gonzalez, A. S.; González-Zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Grabski, V.; Graczykowski, L. K.; Graham, K. L.; Greiner, L.; Grelli, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Gronefeld, J. M.; Grosa, F.; Grosse-Oetringhaus, J. F.; Grosso, R.; Gruber, L.; Guber, F.; Guernane, R.; Guerzoni, B.; Gulbrandsen, K.; Gunji, T.; Gupta, A.; Gupta, R.; Guzman, I. B.; Haake, R.; Hadjidakis, C.; Hamagaki, H.; Hamar, G.; Hamon, J. C.; Haque, M. R.; Harris, J. W.; Harton, A.; Hassan, H.; Hatzifotiadou, D.; Hayashi, S.; Heckel, S. T.; Hellbär, E.; Helstrup, H.; Herghelegiu, A.; Hernandez, E. G.; Herrera Corral, G.; Herrmann, F.; Hess, B. A.; Hetland, K. F.; Hillemanns, H.; Hills, C.; Hippolyte, B.; Hladky, J.; Hohlweger, B.; Horak, D.; Hornung, S.; Hosokawa, R.; Hristov, P.; Hughes, C.; Humanic, T. J.; Hussain, N.; Hussain, T.; Hutter, D.; Hwang, D. S.; Iga Buitron, S. A.; Ilkaev, R.; Inaba, M.; Ippolitov, M.; Irfan, M.; Islam, M. S.; Ivanov, M.; Ivanov, V.; Izucheev, V.; Jacak, B.; Jacazio, N.; Jacobs, P. M.; Jadhav, M. B.; Jadlovsky, J.; Jaelani, S.; Jahnke, C.; Jakubowska, M. J.; Janik, M. A.; Jayarathna, P. H. S. Y.; Jena, C.; Jena, S.; Jercic, M.; Jimenez Bustamante, R. T.; Jones, P. G.; Jusko, A.; Kalinak, P.; Kalweit, A.; Kang, J. H.; Kaplin, V.; Kar, S.; Karasu Uysal, A.; Karavichev, O.; Karavicheva, T.; Karayan, L.; Karczmarczyk, P.; Karpechev, E.; Kebschull, U.; Keidel, R.; Keijdener, D. L. D.; Keil, M.; Ketzer, B.; Khabanova, Z.; Khan, P.; Khan, S. A.; Khanzadeev, A.; Kharlov, Y.; Khatun, A.; Khuntia, A.; Kielbowicz, M. M.; Kileng, B.; Kim, B.; Kim, D.; Kim, D. J.; Kim, H.; Kim, J. S.; Kim, J.; Kim, M.; Kim, M.; Kim, S.; Kim, T.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Kiss, G.; Klay, J. L.; Klein, C.; Klein, J.; Klein-Bösing, C.; Klewin, S.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Kobdaj, C.; Kofarago, M.; Köhler, M. K.; Kollegger, T.; Kondratiev, V.; Kondratyeva, N.; Kondratyuk, E.; Konevskikh, A.; Konyushikhin, M.; Kopcik, M.; Kour, M.; Kouzinopoulos, C.; Kovalenko, O.; Kovalenko, V.; Kowalski, M.; Koyithatta Meethaleveedu, G.; Králik, I.; Kravčáková, A.; Kreis, L.; Krivda, M.; Krizek, F.; Kryshen, E.; Krzewicki, M.; Kubera, A. M.; Kučera, V.; Kuhn, C.; Kuijer, P. G.; Kumar, A.; Kumar, J.; Kumar, L.; Kumar, S.; Kundu, S.; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kushpil, S.; Kweon, M. J.; Kwon, Y.; La Pointe, S. L.; La Rocca, P.; Lagana Fernandes, C.; Lai, Y. S.; Lakomov, I.; Langoy, R.; Lapidus, K.; Lara, C.; Lardeux, A.; Lattuca, A.; Laudi, E.; Lavicka, R.; Lea, R.; Leardini, L.; Lee, S.; Lehas, F.; Lehner, S.; Lehrbach, J.; Lemmon, R. C.; Lenti, V.; Leogrande, E.; León Monzón, I.; Lévai, P.; Li, X.; Lien, J.; Lietava, R.; Lim, B.; Lindal, S.; Lindenstruth, V.; Lindsay, S. W.; Lippmann, C.; Lisa, M. A.; Litichevskyi, V.; Llope, W. J.; Lodato, D. F.; Loenne, P. I.; Loginov, V.; Loizides, C.; Loncar, P.; Lopez, X.; López Torres, E.; Lowe, A.; Luettig, P.; Luhder, J. R.; Lunardon, M.; Luparello, G.; Lupi, M.; Lutz, T. H.; Maevskaya, A.; Mager, M.; Mahajan, S.; Mahmood, S. M.; Maire, A.; Majka, R. D.; Malaev, M.; Malinina, L.; Mal'Kevich, D.; Malzacher, P.; Mamonov, A.; Manko, V.; Manso, F.; Manzari, V.; Mao, Y.; Marchisone, M.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Margutti, J.; Marín, A.; Markert, C.; Marquard, M.; Martin, N. A.; Martinengo, P.; Martinez, J. A. L.; Martínez, M. I.; Martínez García, G.; Martinez Pedreira, M.; Masciocchi, S.; Masera, M.; Masoni, A.; Masson, E.; Mastroserio, A.; Mathis, A. M.; Matuoka, P. F. T.; Matyja, A.; Mayer, C.; Mazer, J.; Mazzilli, M.; Mazzoni, M. A.; Meddi, F.; Melikyan, Y.; Menchaca-Rocha, A.; Meninno, E.; Mercado Pérez, J.; Meres, M.; Mhlanga, S.; Miake, Y.; Mieskolainen, M. M.; Mihaylov, D. L.; Mikhaylov, K.; Milosevic, J.; Mischke, A.; Mishra, A. N.; Miśkowiec, D.; Mitra, J.; Mitu, C. M.; Mohammadi, N.; Mohanty, B.; Mohisin Khan, M.; Moreira de Godoy, D. A.; Moreno, L. A. P.; Moretto, S.; Morreale, A.; Morsch, A.; Muccifora, V.; Mudnic, E.; Mühlheim, D.; Muhuri, S.; Mukherjee, M.; Mulligan, J. D.; Munhoz, M. G.; Münning, K.; Munzer, R. H.; Murakami, H.; Murray, S.; Musa, L.; Musinsky, J.; Myers, C. J.; Myrcha, J. W.; Nag, D.; Naik, B.; Nair, R.; Nandi, B. K.; Nania, R.; Nappi, E.; Narayan, A.; Naru, M. U.; Natal da Luz, H.; Nattrass, C.; Navarro, S. R.; Nayak, K.; Nayak, R.; Nayak, T. K.; Nazarenko, S.; Nedosekin, A.; Negrao de Oliveira, R. A.; Nellen, L.; Nesbo, S. V.; Ng, F.; Nicassio, M.; Niculescu, M.; Niedziela, J.; Nielsen, B. S.; Nikolaev, S.; Nikulin, S.; Nikulin, V.; Noferini, F.; Nomokonov, P.; Nooren, G.; Noris, J. C. C.; Norman, J.; Nyanin, A.; Nystrand, J.; Oeschler, H.; Oh, S.; Ohlson, A.; Okubo, T.; Olah, L.; Oleniacz, J.; Oliveira da Silva, A. C.; Oliver, M. H.; Onderwaater, J.; Oppedisano, C.; Orava, R.; Oravec, M.; Ortiz Velasquez, A.; Oskarsson, A.; Otwinowski, J.; Oyama, K.; Pachmayer, Y.; Pacik, V.; Pagano, D.; Pagano, P.; Paić, G.; Palni, P.; Pan, J.; Pandey, A. K.; Panebianco, S.; Papikyan, V.; Pappalardo, G. S.; Pareek, P.; Park, J.; Parmar, S.; Passfeld, A.; Pathak, S. P.; Patra, R. N.; Paul, B.; Pei, H.; Peitzmann, T.; Peng, X.; Pereira, L. G.; Pereira da Costa, H.; Peresunko, D.; Perez Lezama, E.; Peskov, V.; Pestov, Y.; Petráček, V.; Petrov, V.; Petrovici, M.; Petta, C.; Pezzi, R. P.; Piano, S.; Pikna, M.; Pillot, P.; Pimentel, L. O. D. L.; Pinazza, O.; Pinsky, L.; Piyarathna, D. B.; Płoskoń, M.; Planinic, M.; Pliquett, F.; Pluta, J.; Pochybova, S.; Podesta-Lerma, P. L. M.; Poghosyan, M. G.; Polichtchouk, B.; Poljak, N.; Poonsawat, W.; Pop, A.; Poppenborg, H.; Porteboeuf-Houssais, S.; Pozdniakov, V.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puccio, M.; Puddu, G.; Pujahari, P.; Punin, V.; Putschke, J.; Raha, S.; Rajput, S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Rami, F.; Rana, D. B.; Raniwala, R.; Raniwala, S.; Räsänen, S. S.; Rascanu, B. T.; Rathee, D.; Ratza, V.; Ravasenga, I.; Read, K. F.; Redlich, K.; Rehman, A.; Reichelt, P.; Reidt, F.; Ren, X.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Reygers, K.; Riabov, V.; Ricci, R. A.; Richert, T.; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Ristea, C.; Rodríguez Cahuantzi, M.; Røed, K.; Rogochaya, E.; Rohr, D.; Röhrich, D.; Rokita, P. S.; Ronchetti, F.; Rosas, E. D.; Rosnet, P.; Rossi, A.; Rotondi, A.; Roukoutakis, F.; Roy, A.; Roy, C.; Roy, P.; Rueda, O. V.; Rui, R.; Rumyantsev, B.; Rustamov, A.; Ryabinkin, E.; Ryabov, Y.; Rybicki, A.; Saarinen, S.; Sadhu, S.; Sadovsky, S.; Šafařík, K.; Saha, S. K.; Sahlmuller, B.; Sahoo, B.; Sahoo, P.; Sahoo, R.; Sahoo, S.; Sahu, P. K.; Saini, J.; Sakai, S.; Saleh, M. A.; Salzwedel, J.; Sambyal, S.; Samsonov, V.; Sandoval, A.; Sarkar, D.; Sarkar, N.; Sarma, P.; Sas, M. H. P.; Scapparone, E.; Scarlassara, F.; Schaefer, B.; Scharenberg, R. P.; Scheid, H. S.; Schiaua, C.; Schicker, R.; Schmidt, C.; Schmidt, H. R.; Schmidt, M. O.; Schmidt, M.; Schmidt, N. V.; Schukraft, J.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Šefčík, M.; Seger, J. E.; Sekiguchi, Y.; Sekihata, D.; Selyuzhenkov, I.; Senosi, K.; Senyukov, S.; Serradilla, E.; Sett, P.; Sevcenco, A.; Shabanov, A.; Shabetai, A.; Shahoyan, R.; Shaikh, W.; Shangaraev, A.; Sharma, A.; Sharma, A.; Sharma, M.; Sharma, M.; Sharma, N.; Sheikh, A. I.; Shigaki, K.; Shou, Q.; Shtejer, K.; Sibiriak, Y.; Siddhanta, S.; Sielewicz, K. M.; Siemiarczuk, T.; Silaeva, S.; Silvermyr, D.; Silvestre, C.; Simatovic, G.; Simonetti, G.; Singaraju, R.; Singh, R.; Singhal, V.; Sinha, T.; Sitar, B.; Sitta, M.; Skaali, T. B.; Slupecki, M.; Smirnov, N.; Snellings, R. J. M.; Snellman, T. W.; Song, J.; Song, M.; Soramel, F.; Sorensen, S.; Sozzi, F.; Spiriti, E.; Sputowska, I.; Srivastava, B. K.; Stachel, J.; Stan, I.; Stankus, P.; Stenlund, E.; Stocco, D.; Storetvedt, M. M.; Strmen, P.; Suaide, A. A. P.; Sugitate, T.; Suire, C.; Suleymanov, M.; Suljic, M.; Sultanov, R.; Šumbera, M.; Sumowidagdo, S.; Suzuki, K.; Swain, S.; Szabo, A.; Szarka, I.; Tabassam, U.; Takahashi, J.; Tambave, G. J.; Tanaka, N.; Tarhini, M.; Tariq, M.; Tarzila, M. G.; Tauro, A.; Tejeda Muñoz, G.; Telesca, A.; Terasaki, K.; Terrevoli, C.; Teyssier, B.; Thakur, D.; Thakur, S.; Thomas, D.; Thoresen, F.; Tieulent, R.; Tikhonov, A.; Timmins, A. R.; Toia, A.; Torres, S. R.; Tripathy, S.; Trogolo, S.; Trombetta, G.; Tropp, L.; Trubnikov, V.; Trzaska, W. H.; Trzeciak, B. A.; Tsuji, T.; Tumkin, A.; Turrisi, R.; Tveter, T. S.; Ullaland, K.; Umaka, E. N.; Uras, A.; Usai, G. L.; Utrobicic, A.; Vala, M.; van der Maarel, J.; van Hoorne, J. W.; van Leeuwen, M.; Vanat, T.; Vande Vyvre, P.; Varga, D.; Vargas, A.; Vargyas, M.; Varma, R.; Vasileiou, M.; Vasiliev, A.; Vauthier, A.; Vázquez Doce, O.; Vechernin, V.; Veen, A. M.; Velure, A.; Vercellin, E.; Vergara Limón, S.; Vernet, R.; Vértesi, R.; Vickovic, L.; Vigolo, S.; Viinikainen, J.; Vilakazi, Z.; Villalobos Baillie, O.; Villatoro Tello, A.; Vinogradov, A.; Vinogradov, L.; Virgili, T.; Vislavicius, V.; Vodopyanov, A.; Völkl, M. A.; Voloshin, K.; Voloshin, S. A.; Volpe, G.; von Haller, B.; Vorobyev, I.; Voscek, D.; Vranic, D.; Vrláková, J.; Wagner, B.; Wang, H.; Wang, M.; Watanabe, D.; Watanabe, Y.; Weber, M.; Weber, S. G.; Weiser, D. F.; Wenzel, S. C.; Wessels, J. P.; Westerhoff, U.; Whitehead, A. M.; Wiechula, J.; Wikne, J.; Wilk, G.; Wilkinson, J.; Willems, G. A.; Williams, M. C. S.; Willsher, E.; Windelband, B.; Witt, W. E.; Yalcin, S.; Yamakawa, K.; Yang, P.; Yano, S.; Yin, Z.; Yokoyama, H.; Yoo, I.-K.; Yoon, J. H.; Yurchenko, V.; Zaccolo, V.; Zaman, A.; Zampolli, C.; Zanoli, H. J. C.; Zardoshti, N.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zhalov, M.; Zhang, H.; Zhang, X.; Zhang, Y.; Zhang, C.; Zhang, Z.; Zhao, C.; Zhigareva, N.; Zhou, D.; Zhou, Y.; Zhou, Z.; Zhu, H.; Zhu, J.; Zichichi, A.; Zimmermann, A.; Zimmermann, M. B.; Zinovjev, G.; Zmeskal, J.; Zou, S.; Alice Collaboration

2018-06-01

First results on the longitudinal asymmetry and its effect on the pseudorapidity distributions in Pb-Pb collisions at √{sNN } = 2.76 TeV at the Large Hadron Collider are obtained with the ALICE detector. The longitudinal asymmetry arises because of an unequal number of participating nucleons from the two colliding nuclei, and is estimated for each event by measuring the energy in the forward neutron-Zero-Degree-Calorimeters (ZNs). The effect of the longitudinal asymmetry is measured on the pseudorapidity distributions of charged particles in the regions | η | < 0.9, 2.8 < η < 5.1 and - 3.7 < η < - 1.7 by taking the ratio of the pseudorapidity distributions from events corresponding to different regions of asymmetry. The coefficients of a polynomial fit to the ratio characterise the effect of the asymmetry. A Monte Carlo simulation using a Glauber model for the colliding nuclei is tuned to reproduce the spectrum in the ZNs and provides a relation between the measurable longitudinal asymmetry and the shift in the rapidity (y0) of the participant zone formed by the unequal number of participating nucleons. The dependence of the coefficient of the linear term in the polynomial expansion, c1, on the mean value of y0 is investigated.

Binary neutron star merger simulations with different initial orbital frequency and equation of state

NASA Astrophysics Data System (ADS)

Maione, F.; De Pietri, R.; Feo, A.; Löffler, F.

2016-09-01

We present results from three-dimensional general relativistic simulations of binary neutron star coalescences and mergers using public codes. We considered equal mass models where the baryon mass of the two neutron stars is 1.4{M}⊙ , described by four different equations of state (EOS) for the cold nuclear matter (APR4, SLy, H4, and MS1; all parametrized as piecewise polytropes). We started the simulations from four different initial interbinary distances (40,44.3,50, and 60 km), including up to the last 16 orbits before merger. That allows us to show the effects on the gravitational wave (GW) phase evolution, radiated energy and angular momentum due to: the use of different EOS, the orbital eccentricity present in the initial data and the initial separation (in the simulation) between the two stars. Our results show that eccentricity has a major role in the discrepancy between numerical and analytical waveforms until the very last few orbits, where ‘tidal’ effects and missing high-order post-Newtonian coefficients also play a significant role. We test different methods for extrapolating the GW signal extracted at finite radii to null infinity. We show that an effective procedure for integrating the Newman-Penrose {\\psi }4 signal to obtain the GW strain h is to apply a simple high-pass digital filter to h after a time domain integration, where only the two physical motivated integration constants are introduced. That should be preferred to the more common procedures of introducing additional integration constants, integrating in the frequency domain or filtering {\\psi }4 before integration.

Efficient dynamical correction of the transition state theory rate estimate for a flat energy barrier.

PubMed

Mökkönen, Harri; Ala-Nissila, Tapio; Jónsson, Hannes

2016-09-07

The recrossing correction to the transition state theory estimate of a thermal rate can be difficult to calculate when the energy barrier is flat. This problem arises, for example, in polymer escape if the polymer is long enough to stretch between the initial and final state energy wells while the polymer beads undergo diffusive motion back and forth over the barrier. We present an efficient method for evaluating the correction factor by constructing a sequence of hyperplanes starting at the transition state and calculating the probability that the system advances from one hyperplane to another towards the product. This is analogous to what is done in forward flux sampling except that there the hyperplane sequence starts at the initial state. The method is applied to the escape of polymers with up to 64 beads from a potential well. For high temperature, the results are compared with direct Langevin dynamics simulations as well as forward flux sampling and excellent agreement between the three rate estimates is found. The use of a sequence of hyperplanes in the evaluation of the recrossing correction speeds up the calculation by an order of magnitude as compared with the traditional approach. As the temperature is lowered, the direct Langevin dynamics simulations as well as the forward flux simulations become computationally too demanding, while the harmonic transition state theory estimate corrected for recrossings can be calculated without significant increase in the computational effort.

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

Williamson, David L.; Olson, Jerry G.; Hannay, Cécile

An error in the energy formulation in the Community Atmosphere Model (CAM) is identified and corrected. Ten year AMIP simulations are compared using the correct and incorrect energy formulations. Statistics of selected primary variables all indicate physically insignificant differences between the simulations, comparable to differences with simulations initialized with rounding sized perturbations. The two simulations are so similar mainly because of an inconsistency in the application of the incorrect energy formulation in the original CAM. CAM used the erroneous energy form to determine the states passed between the parameterizations, but used a form related to the correct formulation for themore » state passed from the parameterizations to the dynamical core. If the incorrect form is also used to determine the state passed to the dynamical core the simulations are significantly different. In addition, CAM uses the incorrect form for the global energy fixer, but that seems to be less important. The difference of the magnitude of the fixers using the correct and incorrect energy definitions is very small.« less

Energy considerations in the Community Atmosphere Model (CAM)

DOE PAGES

Williamson, David L.; Olson, Jerry G.; Hannay, Cécile; ...

2015-06-30

An error in the energy formulation in the Community Atmosphere Model (CAM) is identified and corrected. Ten year AMIP simulations are compared using the correct and incorrect energy formulations. Statistics of selected primary variables all indicate physically insignificant differences between the simulations, comparable to differences with simulations initialized with rounding sized perturbations. The two simulations are so similar mainly because of an inconsistency in the application of the incorrect energy formulation in the original CAM. CAM used the erroneous energy form to determine the states passed between the parameterizations, but used a form related to the correct formulation for themore » state passed from the parameterizations to the dynamical core. If the incorrect form is also used to determine the state passed to the dynamical core the simulations are significantly different. In addition, CAM uses the incorrect form for the global energy fixer, but that seems to be less important. The difference of the magnitude of the fixers using the correct and incorrect energy definitions is very small.« less

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

Sengupta, M.; Ganesh, R.

The dynamics of cylindrically trapped electron plasma has been investigated using a newly developed 2D Electrostatic PIC code that uses unapproximated, mass-included equations of motion for simulation. Exhaustive simulations, covering the entire range of Brillouin ratio, were performed for uniformly filled circular profiles in rigid rotor equilibrium. The same profiles were then loaded away from equilibrium with an initial value of rigid rotation frequency different from that required for radial force balance. Both these sets of simulations were performed for an initial zero-temperature or cold load of the plasma with no spread in either angular velocity or radial velocity. Themore » evolution of the off-equilibrium initial conditions to a steady state involve radial breathing of the profile that scales in amplitude and algebraic growth with Brillouin fraction. For higher Brillouin fractions, the growth of the breathing mode is followed by complex dynamics of spontaneous hollow density structures, excitation of poloidal modes, leading to a monotonically falling density profile.« less

A statistical data assimilation method for seasonal streamflow forecasting to optimize hydropower reservoir management in data-scarce regions

NASA Astrophysics Data System (ADS)

Arsenault, R.; Mai, J.; Latraverse, M.; Tolson, B.

2017-12-01

Probabilistic ensemble forecasts generated by the ensemble streamflow prediction (ESP) methodology are subject to biases due to errors in the hydrological model's initial states. In day-to-day operations, hydrologists must compensate for discrepancies between observed and simulated states such as streamflow. However, in data-scarce regions, little to no information is available to guide the streamflow assimilation process. The manual assimilation process can then lead to more uncertainty due to the numerous options available to the forecaster. Furthermore, the model's mass balance may be compromised and could affect future forecasts. In this study we propose a data-driven approach in which specific variables that may be adjusted during assimilation are defined. The underlying principle was to identify key variables that would be the most appropriate to modify during streamflow assimilation depending on the initial conditions such as the time period of the assimilation, the snow water equivalent of the snowpack and meteorological conditions. The variables to adjust were determined by performing an automatic variational data assimilation on individual (or combinations of) model state variables and meteorological forcing. The assimilation aimed to simultaneously optimize: (1) the error between the observed and simulated streamflow at the timepoint where the forecasts starts and (2) the bias between medium to long-term observed and simulated flows, which were simulated by running the model with the observed meteorological data on a hindcast period. The optimal variables were then classified according to the initial conditions at the time period where the forecast is initiated. The proposed method was evaluated by measuring the average electricity generation of a hydropower complex in Québec, Canada driven by this method. A test-bed which simulates the real-world assimilation, forecasting, water release optimization and decision-making of a hydropower cascade was developed to assess the performance of each individual process in the reservoir management chain. Here the proposed method was compared to the PF algorithm while keeping all other elements intact. Preliminary results are encouraging in terms of power generation and robustness for the proposed approach.

Should tsunami simulations include a nonzero initial horizontal velocity?

NASA Astrophysics Data System (ADS)

Lotto, Gabriel C.; Nava, Gabriel; Dunham, Eric M.

2017-08-01

Tsunami propagation in the open ocean is most commonly modeled by solving the shallow water wave equations. These equations require initial conditions on sea surface height and depth-averaged horizontal particle velocity or, equivalently, horizontal momentum. While most modelers assume that initial velocity is zero, Y.T. Song and collaborators have argued for nonzero initial velocity, claiming that horizontal displacement of a sloping seafloor imparts significant horizontal momentum to the ocean. They show examples in which this effect increases the resulting tsunami height by a factor of two or more relative to models in which initial velocity is zero. We test this claim with a "full-physics" integrated dynamic rupture and tsunami model that couples the elastic response of the Earth to the linearized acoustic-gravitational response of a compressible ocean with gravity; the model self-consistently accounts for seismic waves in the solid Earth, acoustic waves in the ocean, and tsunamis (with dispersion at short wavelengths). Full-physics simulations of subduction zone megathrust ruptures and tsunamis in geometries with a sloping seafloor confirm that substantial horizontal momentum is imparted to the ocean. However, almost all of that initial momentum is carried away by ocean acoustic waves, with negligible momentum imparted to the tsunami. We also compare tsunami propagation in each simulation to that predicted by an equivalent shallow water wave simulation with varying assumptions regarding initial velocity. We find that the initial horizontal velocity conditions proposed by Song and collaborators consistently overestimate the tsunami amplitude and predict an inconsistent wave profile. Finally, we determine tsunami initial conditions that are rigorously consistent with our full-physics simulations by isolating the tsunami waves from ocean acoustic and seismic waves at some final time, and backpropagating the tsunami waves to their initial state by solving the adjoint problem. The resulting initial conditions have negligible horizontal velocity.[Figure not available: see fulltext.

Gas Core Reactor Numerical Simulation Using a Coupled MHD-MCNP Model

NASA Technical Reports Server (NTRS)

Kazeminezhad, F.; Anghaie, S.

2008-01-01

Analysis is provided in this report of using two head-on magnetohydrodynamic (MHD) shocks to achieve supercritical nuclear fission in an axially elongated cylinder filled with UF4 gas as an energy source for deep space missions. The motivation for each aspect of the design is explained and supported by theory and numerical simulations. A subsequent report will provide detail on relevant experimental work to validate the concept. Here the focus is on the theory of and simulations for the proposed gas core reactor conceptual design from the onset of shock generations to the supercritical state achieved when the shocks collide. The MHD model is coupled to a standard nuclear code (MCNP) to observe the neutron flux and fission power attributed to the supercritical state brought about by the shock collisions. Throughout the modeling, realistic parameters are used for the initial ambient gaseous state and currents to ensure a resulting supercritical state upon shock collisions.

Ultrafast semi-metallic layer formation in detonating nitromethane

NASA Astrophysics Data System (ADS)

Reed, Evan; Manaa, M. Riad; Fried, Laurence; Glaesemann, Kurt; Joannopoulos, John

2008-03-01

We present the first quantum molecular dynamics simulations behind a detonation front (up to 0.2 ns) of the explosive nitromethane (CH3NO2) represented by the density-functional-based tight-binding method (DFTB). This simulation is enabled by our recently developed multi-scale shock wave molecular dynamics technique (MSST) that opens the door to longer duration simulations by several orders of magnitude. The electronic density of states around the Fermi energy initially increases as metastable material states are produced but then later decreases, perhaps unexpectedly. These changes indicate that the shock front is characterized by an increase in optical thickness and conductivity followed by a reduction around 100 picoseconds behind the front. We find that a significant population of intermediate metastable molecules are charged and charged species play an important role in the density of states evolution. The transient transformation to a semi-metallic state can be understood within the Anderson picture of metallization.

Nonequilibrium phase transitions in isotropic Ashkin-Teller model

NASA Astrophysics Data System (ADS)

Akıncı, Ümit

2017-03-01

Dynamic behavior of an isotropic Ashkin-Teller model in the presence of a periodically oscillating magnetic field has been analyzed by means of the mean field approximation. The dynamic equation of motion has been constructed with the help of a Glauber type stochastic process and solved for a square lattice. After defining the possible dynamical phases of the system, phase diagrams have been given and the behavior of the hysteresis loops has been investigated in detail. The hysteresis loop for specific order parameter of isotropic Ashkin-Teller model has been defined and characteristics of this loop in different dynamical phases have been given.

Cost-Effectiveness of Earlier Initiation of Antiretroviral Therapy for Uninsured HIV-Infected Adults

PubMed Central

Schackman, Bruce R.; Goldie, Sue J.; Weinstein, Milton C.; Losina, Elena; Zhang, Hong; Freedberg, Kenneth A.

2001-01-01

Objectives. This study was designed to examine the societal cost-effectiveness and the impact on government payers of earlier initiation of antiretroviral therapy for uninsured HIV-infected adults. Methods. A state-transition simulation model of HIV disease was used. Data were derived from the Multicenter AIDS Cohort Study, published randomized trials, and medical care cost estimates for all government payers and for Massachusetts, New York, and Florida. Results. Quality-adjusted life expectancy increased from 7.64 years with therapy initiated at 200 CD4 cells/μL to 8.21 years with therapy initiated at 500 CD4 cells/μL. Initiating therapy at 500 CD4/μL was a more efficient use of resources than initiating therapy at 200 CD4/μL and had an incremental cost-effectiveness ratio of $17 300 per quality-adjusted life-year gained, compared with no therapy. Costs to state payers in the first 5 years ranged from $5500 to $24 900 because of differences among the states in the availability of federal funds for AIDS drug assistance programs. Conclusions. Antiretroviral therapy initiated at 500 CD4 cells/μL is cost-effective from a societal perspective compared with therapy initiated later. States should consider Medicaid waivers to expand access to early therapy. PMID:11527782

Fatigue and voluntary utilization of automation in simulated driving.

PubMed

Neubauer, Catherine; Matthews, Gerald; Langheim, Lisa; Saxby, Dyani

2012-10-01

A driving simulator was used to assess the impact on fatigue, stress, and workload of full vehicle automation that was initiated by the driver. Previous studies have shown that mandatory use of full automation induces a state of "passive fatigue" associated with loss of alertness. By contrast, voluntary use of automation may enhance the driver's perceptions of control and ability to manage fatigue. Participants were assigned to one of two experimental conditions, automation optional (AO) and nonautomation (NA), and then performed a 35 min, monotonous simulated drive. In the last 5 min, automation was unavailable and drivers were required to respond to an emergency event. Subjective state and workload were evaluated before and after the drive. Making automation available to the driver failed to alleviate fatigue and stress states induced by driving in monotonous conditions. Drivers who were fatigued prior to the drive were more likely to choose to use automation, but automation use increased distress, especially in fatigue-prone drivers. Drivers in the AO condition were slower to initiate steering responses to the emergency event, suggesting optional automation may be distracting. Optional, driver-controlled automation appears to pose the same dangers to task engagement and alertness as externally initiated automation. Drivers of automated vehicles may be vulnerable to fatigue that persists when normal vehicle control is restored. It is important to evaluate automated systems' impact on driver fatigue, to seek design solutions to the issue of maintaining driver engagement, and to address the vulnerabilities of fatigue-prone drivers.

Manual for the Jet Event and Background Simulation Library(JEBSimLib)

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

Heinz, Matthias; Soltz, Ron; Angerami, Aaron

Jets are the collimated streams of particles resulting from hard scattering in the initial state of high-energy collisions. In heavy-ion collisions, jets interact with the quark-gluon plasma (QGP) before freezeout, providing a probe into the internal structure and properties of the QGP. In order to study jets, background must be subtracted from the measured event, potentially introducing a bias. We aim to understand and quantify this subtraction bias. PYTHIA, a library to simulate pure jet events, is used to simulate a model for a signature with one pure jet (a photon) and one quenched jet, where all quenched particle momentamore » are reduced by a user-de ned constant fraction. Background for the event is simulated using multiplicity values generated by the TRENTO initial state model of heavy-ion collisions fed into a thermal model consisting of a 3-dimensional Boltzmann distribution for particle types and momenta. Data from the simulated events is used to train a statistical model, which computes a posterior distribution of the quench factor for a data set. The model was tested rst on pure jet events and then on full events including the background. This model will allow for a quantitative determination of biases induced by various methods of background subtraction.« less

Manual for the Jet Event and Background Simulation Library

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

Heinz, M.; Soltz, R.; Angerami, A.

Jets are the collimated streams of particles resulting from hard scattering in the initial state of high-energy collisions. In heavy-ion collisions, jets interact with the quark-gluon plasma (QGP) before freezeout, providing a probe into the internal structure and properties of the QGP. In order to study jets, background must be subtracted from the measured event, potentially introducing a bias. We aim to understand and quantify this subtraction bias. PYTHIA, a library to simulate pure jet events, is used to simulate a model for a signature with one pure jet (a photon) and one quenched jet, where all quenched particle momentamore » are reduced by a user-de ned constant fraction. Background for the event is simulated using multiplicity values generated by the TRENTO initial state model of heavy-ion collisions fed into a thermal model consisting of a 3-dimensional Boltzmann distribution for particle types and momenta. Data from the simulated events is used to train a statistical model, which computes a posterior distribution of the quench factor for a data set. The model was tested rst on pure jet events and then on full events including the background. This model will allow for a quantitative determination of biases induced by various methods of background subtraction.« less

Diffusion-driven self-assembly of rodlike particles: Monte Carlo simulation on a square lattice

NASA Astrophysics Data System (ADS)

Lebovka, Nikolai I.; Tarasevich, Yuri Yu.; Gigiberiya, Volodymyr A.; Vygornitskii, Nikolai V.

2017-05-01

The diffusion-driven self-assembly of rodlike particles was studied by means of Monte Carlo simulation. The rods were represented as linear k -mers (i.e., particles occupying k adjacent sites). In the initial state, they were deposited onto a two-dimensional square lattice of size L ×L up to the jamming concentration using a random sequential adsorption algorithm. The size of the lattice, L , was varied from 128 to 2048, and periodic boundary conditions were applied along both x and y axes, while the length of the k -mers (determining the aspect ratio) was varied from 2 to 12. The k -mers oriented along the x and y directions (kx-mers and ky-mers, respectively) were deposited equiprobably. In the course of the simulation, the numbers of intraspecific and interspecific contacts between the same sort and between different sorts of k -mers, respectively, were calculated. Both the shift ratio of the actual number of shifts along the longitudinal or transverse axes of the k -mers and the electrical conductivity of the system were also examined. For the initial random configuration, quite different self-organization behavior was observed for short and long k -mers. For long k -mers (k ≥6 ), three main stages of diffusion-driven spatial segregation (self-assembly) were identified: the initial stage, reflecting destruction of the jamming state; the intermediate stage, reflecting continuous cluster coarsening and labyrinth pattern formation; and the final stage, reflecting the formation of diagonal stripe domains. Additional examination of two artificially constructed initial configurations showed that this pattern of diagonal stripe domains is an attractor, i.e., any spatial distribution of k -mers tends to transform into diagonal stripes. Nevertheless, the time for relaxation to the steady state essentially increases as the lattice size growth.

MHD Simulation for Investigating the Dynamic State Transition Responsible for a Solar Eruption in Active Region 12158

NASA Astrophysics Data System (ADS)

Lee, Hwanhee; Magara, Tetsuya

2018-06-01

We present a magnetohydrodynamic model of solar eruption based on the dynamic state transition from the quasi-static state to the eruptive state of an active region (AR) magnetic field. For the quasi-static state before an eruption, we consider the existence of a slow solar wind originating from an AR, which may continuously make the AR magnetic field deviate from mechanical equilibrium. In this model, we perform a three-dimensional magnetohydrodynamic simulation of AR 12158 producing a coronal mass ejection, where the initial magnetic structure of the simulation is given by a nonlinear force-free field derived from an observed photospheric vector magnetic field. We then apply a pressure-driven outflow to the upper part of the magnetic structure to achieve a quasi-static pre-eruptive state. The simulation shows that the eruptive process observed in this AR may be caused by the dynamic state transition of an AR magnetic field, which is essentially different from the destabilization of a static magnetic field. The dynamic state transition is determined from the shape evolution of the magnetic field line according to the κH-mechanism. This work demonstrates how the mechanism works to produce a solar eruption in the dynamic solar corona governed by the gravitational field and the continuous outflows of solar wind.

CFD simulations of transient load change on a high head Francis turbine

NASA Astrophysics Data System (ADS)

Jakobsen, Ken-Robert G.; Aasved Holst, Martin

2017-01-01

Motivated by the importance of better understanding the structural integrity of high-head hydraulic turbines operating at intermittent conditions, complete 360º steady-state and transient simulations of a Francis turbine are presented in this paper. The main target of the work has been to investigate different numerical approaches such as mesh deformation for different operating conditions. Steady-state simulations were performed at the best efficiency point (BEP) and used as initial conditions for the transient simulations considering load rejection from BEP to part load (BEP2PL) and during load acceptance from BEP to high load (BEP2HL). Simulation results were compared with experimental data available for the Francis-99 project where close agreement was found for the mesh independent solution. The transient load analyses showed general trends in accordance with the measurement reports, especially for the pressure in vaneless space that is of high importance regarding RSI effects. Some deviations were identified for the net head at load rejection for which further investigations will be conducted. All CFD simulations were performed at model scale with ANSYS CFX v. 17 at either 96 or 120 cores (2.60 GHz). The immersed boundary technique was tested during the initial stages of the project, but had to be abandoned due to severe memory requirements. Pressure amplitudes and other instantaneous results were not considered.

Post-transition state dynamics and product energy partitioning following thermal excitation of the F∙∙∙HCH 2 CN transition state: Disagreement with experiment

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

Pratihar, Subha; Ma, Xinyou; Xie, Jing

Born-Oppenheimer direct dynamics simulations were performed to study atomistic details of the F + CH 3CN → HF + CH 2CN H-atom abstraction reaction. The simulation trajectories were calculated with a combined M06-2X/MP2 algorithm utilizing the 6-311++G** basis set. In accord with experiment and assuming the accuracy of transition state theory (TST), the trajectories were initiated at the F-HCH 2CN abstraction TS with a 300 K Boltzmann distribution of energy and directed towards products. Recrossing of the TS was negligible, confirming the accuracy of TST for the simulation. HF formation was rapid, occurring within 0.014 ps of the trajectory initiation.more » The intrinsic reaction coordinate (IRC) for reaction involves rotation of HF about CH 2CN and then trapping in the CH 2CN-HF post-reaction potential energy well of ~10 kcal/mol with respect to the HF + CH 2CN products. In contrast to this IRC, five different trajectory types were observed, with the majority involving direct dissociation and only 11% approximately following the IRC. The HF vibrational and rotational quantum numbers, n and J, were calculated when HF was initially formed and they increase as potential energy is released in forming the HF + CH 2CN products. The population of the HF product vibrational states is only in qualitative agreement with experiment, with the simulations showing depressed and enhanced populations of the n = 1 and 2 states as compared to experiment. From the simulations and with an anharmonic zero-point energy constraint, the percentage partitioning of the product energy to relative translation, HF rotation, HF vibration, CH 2CN rotation and CH 2CN vibration is 5, 11, 60, 7, and 16%, respectively. In contrast the experimental energy partitioning percentages to HF rotation and vibration are 6 and 41%. Comparisons are made between the current simulation and those for other F + H-atom abstraction reactions. The simulation product energy partitioning and HF vibrational population for F + CH 3CN → HF + CH 2CN are similar to those for these other reactions. A detailed discussion is given of possible origins of the difference between the simulation and experimental energy partitioning dynamics for the F + CH 3CN → HF + CH 2CN reaction. The F + CH 3CN reaction also forms the CH 3C(F)N intermediate, in which the F-atom adds to the C≡N bond. However, this intermediate and the F---CH 3CN and CH 3CN-F van der Waals complexes are not expected to affect the F + CH 3CN → HF + CH 2CN product energy partitioning.« less

Numerical simulation of small-scale thermal convection in the atmosphere

NASA Technical Reports Server (NTRS)

Somerville, R. C. J.

1973-01-01

A Boussinesq system is integrated numerically in three dimensions and time in a study of nonhydrostatic convection in the atmosphere. Simulation of cloud convection is achieved by the inclusion of parametrized effects of latent heat and small-scale turbulence. The results are compared with the cell structure observed in Rayleigh-Benard laboratory conversion experiments in air. At a Rayleigh number of 4000, the numerical model adequately simulates the experimentally observed evolution, including some prominent transients of a flow from a randomly perturbed initial conductive state into the final state of steady large-amplitude two-dimensional rolls. At Rayleigh number 9000, the model reproduces the experimentally observed unsteady equilibrium of vertically coherent oscillatory waves superimposed on rolls.

Dual Extended Kalman Filter for the Identification of Time-Varying Human Manual Control Behavior

NASA Technical Reports Server (NTRS)

Popovici, Alexandru; Zaal, Peter M. T.; Pool, Daan M.

2017-01-01

A Dual Extended Kalman Filter was implemented for the identification of time-varying human manual control behavior. Two filters that run concurrently were used, a state filter that estimates the equalization dynamics, and a parameter filter that estimates the neuromuscular parameters and time delay. Time-varying parameters were modeled as a random walk. The filter successfully estimated time-varying human control behavior in both simulated and experimental data. Simple guidelines are proposed for the tuning of the process and measurement covariance matrices and the initial parameter estimates. The tuning was performed on simulation data, and when applied on experimental data, only an increase in measurement process noise power was required in order for the filter to converge and estimate all parameters. A sensitivity analysis to initial parameter estimates showed that the filter is more sensitive to poor initial choices of neuromuscular parameters than equalization parameters, and bad choices for initial parameters can result in divergence, slow convergence, or parameter estimates that do not have a real physical interpretation. The promising results when applied to experimental data, together with its simple tuning and low dimension of the state-space, make the use of the Dual Extended Kalman Filter a viable option for identifying time-varying human control parameters in manual tracking tasks, which could be used in real-time human state monitoring and adaptive human-vehicle haptic interfaces.

Soil Moisture and the Persistence of North American Drought.

NASA Astrophysics Data System (ADS)

Oglesby, Robert J.; Erickson, David J., III

1989-11-01

We describe numerical sensitivity experiments exploring the effects of soil moisture on North American summertime climate using the NCAR CCMI, a 12-layer global atmospheric general circulation model. In particular. the hypothesis that reduced soil moisture may help induce and amplify warm, dry summers over midlatitude continental interiors is examined. Equilibrium climate statistics are computed for the perpetual July model response to imposed soil moisture anomalies over North America between 36° and 49°N. In addition, the persistence of imposed soil moisture anomalies is examined through use of the seasonal cycle mode of operation with use of various initial atmospheric states both equilibrated and nonequilibrated to the initial soil moisture anomaly.The climate statistics generated by thew model simulations resemble in a general way those of the summer of 1988, when extensive heat and drought occurred over much of North America. A reduction in soil moisture in the model leads to an increase in surface temperature, lower surface pressure, increased ridging aloft, and a northward shift of the jet stream. Low-level moisture advection from the Gulf of Mexico is important in determining where persistent soil moisture deficits can be maintained. In seasonal cycle simulations, it lock longer for an initially unequilibrated atmosphere to respond to the imposed soil moisture anomaly, via moisture transport from the Gulf of Mexico, than when initially the atmosphere was in equilibrium with the imposed anomaly., i.e., the initial state was obtained from the appropriate perpetual July simulation. The results demonstrate the important role of soil moisture in prolonging and/or amplifying North American summertime drought.

The Jormungand Global Climate State and Implications for the Neoproterozoic Snowball Paradox (Invited)

NASA Astrophysics Data System (ADS)

Abbot, D. S.; Voigt, A.; Koll, D.; Pierrehumbert, R. T.

2010-12-01

We present a previously undescribed global climate state, the Jormungand state, that is nearly ice-covered with a narrow (~10-15 degrees of latitude) strip of open ocean near the equator. This state is sustained by internal dynamics of the hydrological cycle and the cryosphere. There is a new bifurcation in global climate climate associated with the Jormungand state that leads to significant hysteresis. We investigate the Jormungand state in a coupled ocean-atmosphere GCM, in multiple atmospheric GCMs coupled to a mixed layer ocean run in an idealized configuration, and we make a simple modification to the Budyko-Sellers model so that it produces Jormungand states. We suggest that the Jormungand state may be a better model for the Neoproterozoic glaciations (~635 Ma and ~715 Ma) than either the hard Snowball or the Slushball models. A Jormungand state would have a large enough region of open ocean near the equator to explain the micropaleontological and molecular clock evidence that photosynthetic eukaryotes thrived both before and immediately after the Neoproterozoic episodes. Additionally, since there is significant hysteresis associated with the Jormungand state, it can explain the cap carbonate sequences, the oxygen isotopic evidence that suggests high CO2 values, and the various evidence that suggests lifetimes for the glaciations of 1 Myrs or more. Since there is not significant hysteresis associated with the Slushball model, the Slushball model cannot explain these observations. Finally, we note that although the Slushball and Jormungand models share the characteristic of open ocean in the tropics, the Jormungand state is produced by entirely different physics, is entered through a new bifurcation in global climate, and is associated with significant hysteresis. Bifurcation diagram of global climate in the CAM global climate model, run with no continents, a 50 m mixed layer with no ocean heat transport, an eccentricity of zero, and annually and diurnally-varying insolation with a solar constant of 94% of present value. Red diamonds denote simulations initiated from ice-free conditions, blue circles denote simulations initiated from the Jormungand state, and green squares denote simulations initiated from the Snowball state. The black curve shows model equilibria, with dotted unstable solution branches (separatrices) and bifurcations drawn schematically.

Spiral-wave dynamics in ionically realistic mathematical models for human ventricular tissue: the effects of periodic deformation.

PubMed

Nayak, Alok R; Pandit, Rahul

2014-01-01

We carry out an extensive numerical study of the dynamics of spiral waves of electrical activation, in the presence of periodic deformation (PD) in two-dimensional simulation domains, in the biophysically realistic mathematical models of human ventricular tissue due to (a) ten-Tusscher and Panfilov (the TP06 model) and (b) ten-Tusscher, Noble, Noble, and Panfilov (the TNNP04 model). We first consider simulations in cable-type domains, in which we calculate the conduction velocity θ and the wavelength λ of a plane wave; we show that PD leads to a periodic, spatial modulation of θ and a temporally periodic modulation of λ; both these modulations depend on the amplitude and frequency of the PD. We then examine three types of initial conditions for both TP06 and TNNP04 models and show that the imposition of PD leads to a rich variety of spatiotemporal patterns in the transmembrane potential including states with a single rotating spiral (RS) wave, a spiral-turbulence (ST) state with a single meandering spiral, an ST state with multiple broken spirals, and a state SA in which all spirals are absorbed at the boundaries of our simulation domain. We find, for both TP06 and TNNP04 models, that spiral-wave dynamics depends sensitively on the amplitude and frequency of PD and the initial condition. We examine how these different types of spiral-wave states can be eliminated in the presence of PD by the application of low-amplitude pulses by square- and rectangular-mesh suppression techniques. We suggest specific experiments that can test the results of our simulations.

Spiral-wave dynamics in ionically realistic mathematical models for human ventricular tissue: the effects of periodic deformation

PubMed Central

Nayak, Alok R.; Pandit, Rahul

2014-01-01

We carry out an extensive numerical study of the dynamics of spiral waves of electrical activation, in the presence of periodic deformation (PD) in two-dimensional simulation domains, in the biophysically realistic mathematical models of human ventricular tissue due to (a) ten-Tusscher and Panfilov (the TP06 model) and (b) ten-Tusscher, Noble, Noble, and Panfilov (the TNNP04 model). We first consider simulations in cable-type domains, in which we calculate the conduction velocity θ and the wavelength λ of a plane wave; we show that PD leads to a periodic, spatial modulation of θ and a temporally periodic modulation of λ; both these modulations depend on the amplitude and frequency of the PD. We then examine three types of initial conditions for both TP06 and TNNP04 models and show that the imposition of PD leads to a rich variety of spatiotemporal patterns in the transmembrane potential including states with a single rotating spiral (RS) wave, a spiral-turbulence (ST) state with a single meandering spiral, an ST state with multiple broken spirals, and a state SA in which all spirals are absorbed at the boundaries of our simulation domain. We find, for both TP06 and TNNP04 models, that spiral-wave dynamics depends sensitively on the amplitude and frequency of PD and the initial condition. We examine how these different types of spiral-wave states can be eliminated in the presence of PD by the application of low-amplitude pulses by square- and rectangular-mesh suppression techniques. We suggest specific experiments that can test the results of our simulations. PMID:24959148

Singular vector-based targeted observations of chemical constituents: description and first application of the EURAD-IM-SVA v1.0

NASA Astrophysics Data System (ADS)

Goris, N.; Elbern, H.

2015-12-01

Measurements of the large-dimensional chemical state of the atmosphere provide only sparse snapshots of the state of the system due to their typically insufficient temporal and spatial density. In order to optimize the measurement configurations despite those limitations, the present work describes the identification of sensitive states of the chemical system as optimal target areas for adaptive observations. For this purpose, the technique of singular vector analysis (SVA), which has proven effective for targeted observations in numerical weather prediction, is implemented in the EURAD-IM (EURopean Air pollution and Dispersion - Inverse Model) chemical transport model, yielding the EURAD-IM-SVA v1.0. Besides initial values, emissions are investigated as critical simulation controlling targeting variables. For both variants, singular vectors are applied to determine the optimal placement for observations and moreover to quantify which chemical compounds have to be observed with preference. Based on measurements of the airship based ZEPTER-2 campaign, the EURAD-IM-SVA v1.0 has been evaluated by conducting a comprehensive set of model runs involving different initial states and simulation lengths. For the sake of brevity, we concentrate our attention on the following chemical compounds, O3, NO, NO2, HCHO, CO, HONO, and OH, and focus on their influence on selected O3 profiles. Our analysis shows that the optimal placement for observations of chemical species is not entirely determined by mere transport and mixing processes. Rather, a combination of initial chemical concentrations, chemical conversions, and meteorological processes determines the influence of chemical compounds and regions. We furthermore demonstrate that the optimal placement of observations of emission strengths is highly dependent on the location of emission sources and that the benefit of including emissions as target variables outperforms the value of initial value optimization with growing simulation length. The obtained results confirm the benefit of considering both initial values and emission strengths as target variables and of applying the EURAD-IM-SVA v1.0 for measurement decision guidance with respect to chemical compounds.

Effect of initial conditions of a catchment on seasonal streamflow prediction using ensemble streamflow prediction (ESP) technique for the Rangitata and Waitaki River basins on the South Island of New Zealand

NASA Astrophysics Data System (ADS)

Singh, Shailesh Kumar; Zammit, Christian; Hreinsson, Einar; Woods, Ross; Clark, Martyn; Hamlet, Alan

2013-04-01

Increased access to water is a key pillar of the New Zealand government plan for economic growths. Variable climatic conditions coupled with market drivers and increased demand on water resource result in critical decision made by water managers based on climate and streamflow forecast. Because many of these decisions have serious economic implications, accurate forecast of climate and streamflow are of paramount importance (eg irrigated agriculture and electricity generation). New Zealand currently does not have a centralized, comprehensive, and state-of-the-art system in place for providing operational seasonal to interannual streamflow forecasts to guide water resources management decisions. As a pilot effort, we implement and evaluate an experimental ensemble streamflow forecasting system for the Waitaki and Rangitata River basins on New Zealand's South Island using a hydrologic simulation model (TopNet) and the familiar ensemble streamflow prediction (ESP) paradigm for estimating forecast uncertainty. To provide a comprehensive database for evaluation of the forecasting system, first a set of retrospective model states simulated by the hydrologic model on the first day of each month were archived from 1972-2009. Then, using the hydrologic simulation model, each of these historical model states was paired with the retrospective temperature and precipitation time series from each historical water year to create a database of retrospective hindcasts. Using the resulting database, the relative importance of initial state variables (such as soil moisture and snowpack) as fundamental drivers of uncertainties in forecasts were evaluated for different seasons and lead times. The analysis indicate that the sensitivity of flow forecast to initial condition uncertainty is depend on the hydrological regime and season of forecast. However initial conditions do not have a large impact on seasonal flow uncertainties for snow dominated catchments. Further analysis indicates that this result is valid when the hindcast database is conditioned by ENSO classification. As a result hydrological forecasts based on ESP technique, where present initial conditions with histological forcing data are used may be plausible for New Zealand catchments.

Seasonal simulations using a coupled ocean-atmosphere model with data assimilation

NASA Astrophysics Data System (ADS)

Larow, Timothy Edward

1997-10-01

A coupled ocean-atmosphere initialization scheme using Newtonian relaxation has been developed for the Florida State University coupled ocean-atmosphere global general circulation model. The coupled model is used for seasonal predictions of the boreal summers of 1987 and 1988. The atmosphere model is a modified version of the Florida State University global spectral model, resolution triangular truncation 42 waves. The ocean general circulation model consists of a slightly modified version developed by Latif (1987). Coupling is synchronous with exchange of information every two model hours. Using daily analysis from ECMWF and observed monthly mean SSTs from NCEP, two - one year, time dependent, Newtonian relaxation were conducted using the coupled model prior to the seasonal forecasts. Relaxation was selectively applied to the atmospheric vorticity, divergence, temperature, and dew point depression equations, and to the ocean's surface temperature equation. The ocean's initial conditions are from a six year ocean-only simulation which used observed wind stresses and a relaxation towards observed SSTs for forcings. Coupled initialization was conducted from 1 June 1986 to 1 June 1987 for the 1987 boreal forecast and from 1 June 1987 to 1 June 1988 for the 1988 boreal forecast. Examination of annual means of net heat flux, freshwater flux and wind stress obtained by from the initialization show close agreement with Oberhuber (1988) climatology and the Florida State University pseudo wind stress analysis. Sensitivity of the initialization/assimilation scheme was tested by conducting two - ten member ensemble integrations. Each member was integrated for 90 days (June-August) of the respective year. Initial conditions for the ensembles consisted of the same ocean state as used by the initialize forecasts, while the atmospheric initial conditions were from ECMWF analysis centered on 1 June of the respective year. Root mean square error and anomaly correlations between observed and forecasted SSTs in the Nino 3 and Nino 4 regions show greater skill between the initialized forecasts than the ensemble forecasts. It is hypothesized that differences in the specific humidity within the planetary boundary layer are responsible for the large SST errors noted with the ensembles.

Pandemic influenza computer model (no soundtrack)

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

Los Alamos National Lab

2009-05-01

Simulation of a pandemic flu outbreak in the continental United States, initially introduced by the arrival of 10 infected individuals in Los Angeles. ----------The spatiotemporal dynamics of the prevalence (number of symptomatic cases at any point in

A Last Glacial Maximum world-ocean simulation at eddy-permitting resolution - Part 1: Experimental design and basic evaluation

NASA Astrophysics Data System (ADS)

Ballarotta, M.; Brodeau, L.; Brandefelt, J.; Lundberg, P.; Döös, K.

2013-01-01

Most state-of-the-art climate models include a coarsely resolved oceanic component, which has difficulties in capturing detailed dynamics, and therefore eddy-permitting/eddy-resolving simulations have been developed to reproduce the observed World Ocean. In this study, an eddy-permitting numerical experiment is conducted to simulate the global ocean state for a period of the Last Glacial Maximum (LGM, ~ 26 500 to 19 000 yr ago) and to investigate the improvements due to taking into account these higher spatial scales. The ocean general circulation model is forced by a 49-yr sample of LGM atmospheric fields constructed from a quasi-equilibrated climate-model simulation. The initial state and the bottom boundary condition conform to the Paleoclimate Modelling Intercomparison Project (PMIP) recommendations. Before evaluating the model efficiency in representing the paleo-proxy reconstruction of the surface state, the LGM experiment is in this first part of the investigation, compared with a present-day eddy-permitting hindcast simulation as well as with the available PMIP results. It is shown that the LGM eddy-permitting simulation is consistent with the quasi-equilibrated climate-model simulation, but large discrepancies are found with the PMIP model analyses, probably due to the different equilibration states. The strongest meridional gradients of the sea-surface temperature are located near 40° N and S, this due to particularly large North-Atlantic and Southern-Ocean sea-ice covers. These also modify the locations of the convection sites (where deep-water forms) and most of the LGM Conveyor Belt circulation consequently takes place in a thinner layer than today. Despite some discrepancies with other LGM simulations, a glacial state is captured and the eddy-permitting simulation undertaken here yielded a useful set of data for comparisons with paleo-proxy reconstructions.

An equation-of-state-meter of quantum chromodynamics transition from deep learning.

PubMed

Pang, Long-Gang; Zhou, Kai; Su, Nan; Petersen, Hannah; Stöcker, Horst; Wang, Xin-Nian

2018-01-15

A primordial state of matter consisting of free quarks and gluons that existed in the early universe a few microseconds after the Big Bang is also expected to form in high-energy heavy-ion collisions. Determining the equation of state (EoS) of such a primordial matter is the ultimate goal of high-energy heavy-ion experiments. Here we use supervised learning with a deep convolutional neural network to identify the EoS employed in the relativistic hydrodynamic simulations of heavy ion collisions. High-level correlations of particle spectra in transverse momentum and azimuthal angle learned by the network act as an effective EoS-meter in deciphering the nature of the phase transition in quantum chromodynamics. Such EoS-meter is model-independent and insensitive to other simulation inputs including the initial conditions for hydrodynamic simulations.

Application of Ensemble Kalman Filter in Power System State Tracking and Sensitivity

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

Li, Yulan; Huang, Zhenyu; Zhou, Ning

2012-05-01

Ensemble Kalman Filter (EnKF) is proposed to track dynamic states of generators. The algorithm of EnKF and its application to generator state tracking are presented in detail. The accuracy and sensitivity of the method are analyzed with respect to initial state errors, measurement noise, unknown fault locations, time steps and parameter errors. It is demonstrated through simulation studies that even with some errors in the parameters, the developed EnKF can effectively track generator dynamic states using disturbance data.

Boreal summer sub-seasonal variability of the South Asian monsoon in the Met Office GloSea5 initialized coupled model

NASA Astrophysics Data System (ADS)

Jayakumar, A.; Turner, A. G.; Johnson, S. J.; Rajagopal, E. N.; Mohandas, Saji; Mitra, A. K.

2017-09-01

Boreal summer sub-seasonal variability in the Asian monsoon, otherwise known as the monsoon intra-seasonal oscillation (MISO), is one of the dominant modes of intraseasonal variability in the tropics, with large impacts on total monsoon rainfall and India's agricultural production. However, our understanding of the mechanisms involved in MISO is incomplete and its simulation in various numerical models is often flawed. In this study, we focus on the objective evaluation of the fidelity of MISO simulation in the Met Office Global Seasonal forecast system version 5 (GloSea5), an initialized coupled model. We analyze a series of nine-member hindcasts from GloSea5 over 1996-2009 during the peak monsoon period (July-August) over the South-Asian monsoon domain focusing on aspects of the time-mean background state and air-sea interaction processes pertinent to MISO. Dominant modes during this period are evident in power spectrum analysis, but propagation and evolution characteristics of the MISO are not realistic. We find that simulated air-sea interactions in the central Indian Ocean are not supportive of MISO initiation in that region, likely a result of the low surface wind variance there. As a consequence, the expected near-quadrature phase relationship between SST and convection is not represented properly over the central equatorial Indian Ocean, and northward propagation from the equator is poorly simulated. This may reinforce the equatorial rainfall mean state bias in GloSea5.

Bistability, non-ergodicity, and inhibition in pairwise maximum-entropy models

PubMed Central

Grün, Sonja; Helias, Moritz

2017-01-01

Pairwise maximum-entropy models have been used in neuroscience to predict the activity of neuronal populations, given only the time-averaged correlations of the neuron activities. This paper provides evidence that the pairwise model, applied to experimental recordings, would produce a bimodal distribution for the population-averaged activity, and for some population sizes the second mode would peak at high activities, that experimentally would be equivalent to 90% of the neuron population active within time-windows of few milliseconds. Several problems are connected with this bimodality: 1. The presence of the high-activity mode is unrealistic in view of observed neuronal activity and on neurobiological grounds. 2. Boltzmann learning becomes non-ergodic, hence the pairwise maximum-entropy distribution cannot be found: in fact, Boltzmann learning would produce an incorrect distribution; similarly, common variants of mean-field approximations also produce an incorrect distribution. 3. The Glauber dynamics associated with the model is unrealistically bistable and cannot be used to generate realistic surrogate data. This bimodality problem is first demonstrated for an experimental dataset from 159 neurons in the motor cortex of macaque monkey. Evidence is then provided that this problem affects typical neural recordings of population sizes of a couple of hundreds or more neurons. The cause of the bimodality problem is identified as the inability of standard maximum-entropy distributions with a uniform reference measure to model neuronal inhibition. To eliminate this problem a modified maximum-entropy model is presented, which reflects a basic effect of inhibition in the form of a simple but non-uniform reference measure. This model does not lead to unrealistic bimodalities, can be found with Boltzmann learning, and has an associated Glauber dynamics which incorporates a minimal asymmetric inhibition. PMID:28968396

Censored Glauber Dynamics for the Mean Field Ising Model

NASA Astrophysics Data System (ADS)

Ding, Jian; Lubetzky, Eyal; Peres, Yuval

2009-11-01

We study Glauber dynamics for the Ising model on the complete graph on n vertices, known as the Curie-Weiss Model. It is well known that at high temperature ( β<1) the mixing time is Θ( nlog n), whereas at low temperature ( β>1) it is exp ( Θ( n)). Recently, Levin, Luczak and Peres considered a censored version of this dynamics, which is restricted to non-negative magnetization. They proved that for fixed β>1, the mixing-time of this model is Θ( nlog n), analogous to the high-temperature regime of the original dynamics. Furthermore, they showed cutoff for the original dynamics for fixed β<1. The question whether the censored dynamics also exhibits cutoff remained unsettled. In a companion paper, we extended the results of Levin et al. into a complete characterization of the mixing-time for the Curie-Weiss model. Namely, we found a scaling window of order 1/sqrt{n} around the critical temperature β c =1, beyond which there is cutoff at high temperature. However, determining the behavior of the censored dynamics outside this critical window seemed significantly more challenging. In this work we answer the above question in the affirmative, and establish the cutoff point and its window for the censored dynamics beyond the critical window, thus completing its analogy to the original dynamics at high temperature. Namely, if β=1+ δ for some δ>0 with δ 2 n→∞, then the mixing-time has order ( n/ δ)log ( δ 2 n). The cutoff constant is (1/2+[2(ζ2 β/ δ-1)]-1), where ζ is the unique positive root of g( x)=tanh ( β x)- x, and the cutoff window has order n/ δ.

Transverse momentum, rapidity, and centrality dependence of inclusive charged-particle production in s NN = 5.02   TeV p+Pb collisions measured by the ATLAS experiment

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

Aad, G.; Abbott, B.; Abdallah, J.

Measurements of the per-event charged-particle yield as a function of the charged-particle transverse momentum and rapidity are performed using p+Pb collision data collected by the ATLAS experiment at the LHC at a centre-of-mass energy of √s NN =5.02TeV. Charged particles are reconstructed over pseudorapidity |η| < 2.3 and transverse momentum between 0.1 GeV and 22 GeV in a dataset corresponding to an integrated luminosity of 1 μb -1 . The results are presented in the form of charged-particle nuclear modification factors, where the p+Pb charged-particle multiplicities are compared between central and peripheral p+Pb collisions as well as to charged-particle crossmore » sections measured in pp collisions. The p+Pb collision centrality is characterized by the total transverse energy measured in -4.9 < η < -3.1, which is in the direction of the outgoing lead beam. Three different estimations of the number of nucleons participating in the p+Pb collision are carried out using the Glauber model and two Glauber–Gribov colour-fluctuation extensions to the Glauber model. The values of the nuclear modification factors are found to vary significantly as a function of rapidity and transverse momentum. A broad peak is observed for all centralities and rapidities in the nuclear modification factors for charged-particle transverse momentum values around 3 GeV. The magnitude of the peak increases for more central collisions as well as rapidity ranges closer to the direction of the outgoing lead nucleus.« less

Transverse momentum, rapidity, and centrality dependence of inclusive charged-particle production in s NN = 5.02   TeV p+Pb collisions measured by the ATLAS experiment

DOE PAGES

Aad, G.; Abbott, B.; Abdallah, J.; ...

2016-10-29

Measurements of the per-event charged-particle yield as a function of the charged-particle transverse momentum and rapidity are performed using p+Pb collision data collected by the ATLAS experiment at the LHC at a centre-of-mass energy of √s NN =5.02TeV. Charged particles are reconstructed over pseudorapidity |η| < 2.3 and transverse momentum between 0.1 GeV and 22 GeV in a dataset corresponding to an integrated luminosity of 1 μb -1 . The results are presented in the form of charged-particle nuclear modification factors, where the p+Pb charged-particle multiplicities are compared between central and peripheral p+Pb collisions as well as to charged-particle crossmore » sections measured in pp collisions. The p+Pb collision centrality is characterized by the total transverse energy measured in -4.9 < η < -3.1, which is in the direction of the outgoing lead beam. Three different estimations of the number of nucleons participating in the p+Pb collision are carried out using the Glauber model and two Glauber–Gribov colour-fluctuation extensions to the Glauber model. The values of the nuclear modification factors are found to vary significantly as a function of rapidity and transverse momentum. A broad peak is observed for all centralities and rapidities in the nuclear modification factors for charged-particle transverse momentum values around 3 GeV. The magnitude of the peak increases for more central collisions as well as rapidity ranges closer to the direction of the outgoing lead nucleus.« less

Bistability, non-ergodicity, and inhibition in pairwise maximum-entropy models.

PubMed

Rostami, Vahid; Porta Mana, PierGianLuca; Grün, Sonja; Helias, Moritz

2017-10-01

Pairwise maximum-entropy models have been used in neuroscience to predict the activity of neuronal populations, given only the time-averaged correlations of the neuron activities. This paper provides evidence that the pairwise model, applied to experimental recordings, would produce a bimodal distribution for the population-averaged activity, and for some population sizes the second mode would peak at high activities, that experimentally would be equivalent to 90% of the neuron population active within time-windows of few milliseconds. Several problems are connected with this bimodality: 1. The presence of the high-activity mode is unrealistic in view of observed neuronal activity and on neurobiological grounds. 2. Boltzmann learning becomes non-ergodic, hence the pairwise maximum-entropy distribution cannot be found: in fact, Boltzmann learning would produce an incorrect distribution; similarly, common variants of mean-field approximations also produce an incorrect distribution. 3. The Glauber dynamics associated with the model is unrealistically bistable and cannot be used to generate realistic surrogate data. This bimodality problem is first demonstrated for an experimental dataset from 159 neurons in the motor cortex of macaque monkey. Evidence is then provided that this problem affects typical neural recordings of population sizes of a couple of hundreds or more neurons. The cause of the bimodality problem is identified as the inability of standard maximum-entropy distributions with a uniform reference measure to model neuronal inhibition. To eliminate this problem a modified maximum-entropy model is presented, which reflects a basic effect of inhibition in the form of a simple but non-uniform reference measure. This model does not lead to unrealistic bimodalities, can be found with Boltzmann learning, and has an associated Glauber dynamics which incorporates a minimal asymmetric inhibition.

1D quantum simulation using a solid state platform

NASA Astrophysics Data System (ADS)

Kirkendall, Megan; Irvin, Patrick; Huang, Mengchen; Levy, Jeremy; Lee, Hyungwoo; Eom, Chang-Beom

Understanding the properties of large quantum systems can be challenging both theoretically and numerically. One experimental approach-quantum simulation-involves mapping a quantum system of interest onto a physical system that is programmable and experimentally accessible. A tremendous amount of work has been performed with quantum simulators formed from optical lattices; by contrast, solid-state platforms have had only limited success. Our experimental approach to quantum simulation takes advantage of nanoscale control of a metal-insulator transition at the interface between two insulating complex oxide materials. This system naturally exhibits a wide variety of ground states (e.g., ferromagnetic, superconducting) and can be configured into a variety of complex geometries. We will describe initial experiments that explore the magnetotransport properties of one-dimensional superlattices with spatial periods as small as 4 nm, comparable to the Fermi wavelength. The results demonstrate the potential of this solid-state quantum simulation approach, and also provide empirical constraints for physical models that describe the underlying oxide material properties. We gratefully acknowledge financial support from AFOSR (FA9550-12-1- 0057 (JL), FA9550-10-1-0524 (JL) and FA9550-12-1-0342 (CBE)), ONR N00014-15-1-2847 (JL), and NSF DMR-1234096 (CBE).

Constraining in-medium nucleon-nucleon interactions via nucleus-nucleus reactions

NASA Astrophysics Data System (ADS)

Sammarruca, Francesca; White, Larz

2010-11-01

The nuclear equation of state is a broadly useful tool. Besides being the main input of stellar structure calculations, it allows a direct connection to the physics of nuclei. For instance, an energy functional (such as a mass formula), together with the energy/particle in nuclear matter, can be used to predict nuclear energies and radii [1]. The single-particle properties are also a key point to link infinite nuclear matter and actual nuclei. The parameters of the single-particle potential, in particular the effective mass, enter the calculations of, for instance, in-medium effective cross sections. From the well-known Glauber reaction theory, the total nucleus-nucleus reaction cross section is expressed in terms of the nuclear transparency, which, in turn, depends on the overlap of the nuclear density distributions and the elementary nucleon-nucleon (NN) cross sections. We explore the sensitivity of the reaction calculation to medium modifications of the NN cross sections to estimate the likelihood of constraining the latter through nuclear reactions. Ultimately, we wish to incorporate isospin asymmetry in the reaction model, having in mind connections with rare isotopes. [1] F. Sammarruca, arXiv:1002.00146 [nucl-th]; International Journal of Modern Physics, in press.

The simulators: truth and power in the psychiatry of José Ingenieros.

PubMed

Caponi, Sandra

2016-01-01

Using Michel Foucault's lectures on "Psychiatric power" as its starting point, this article analyzes the book Simulación de la locura (The simulation of madness), published in 1903 by the Argentine psychiatrist José Ingenieros. Foucault argues that the problem of simulation permeates the entire history of modern psychiatry. After initial analysis of José Ingenieros's references to the question of simulation in the struggle for existence, the issue of simulation in pathological states in general is examined, and lastly the simulation of madness and the problem of degeneration. Ingenieros participates in the epistemological and political struggle that took place between experts-psychiatrists and simulators over the question of truth.

Hybrid simulations of magnetic reconnection with kinetic ions and fluid electron pressure anisotropy

DOE PAGES

Le, A.; Daughton, W.; Karimabadi, H.; ...

2016-03-16

We present the first hybrid simulations with kinetic ions and recently developed equations of state for the electron fluid appropriate for reconnection with a guide field. The equations of state account for the main anisotropy of the electron pressure tensor.Magnetic reconnection is studied in two systems, an initially force-free current sheet and a Harris sheet. The hybrid model with the equations of state is compared to two other models, hybrid simulations with isothermal electrons and fully kinetic simulations. Including the anisotropicequations of state in the hybrid model provides a better match to the fully kinetic model. In agreement with fullymore » kinetic results, the main feature captured is the formation of an electron current sheet that extends several ion inertial lengths. This electron current sheet modifies the Hall magnetic field structure near the X-line, and it is not observed in the standard hybrid model with isotropic electrons. The saturated reconnection rate in this regime nevertheless remains similar in all three models. Here, implications for global modeling are discussed.« less

Pseudo-global warming controls on the intensity and morphology of extreme convective storm events

NASA Astrophysics Data System (ADS)

Trapp, R. J.

2015-12-01

This research seeks to answer the basic question of how current-day extreme convective storm events might be represented under future anthropogenic climate change. We adapt the "pseudo-global warming" (PGW) methodology employed by Lackmann (2013, 2015) and others, who have investigated flooding and tropical cyclone events under climate change. Here, we exploit coupled atmosphere-ocean GCM data contributed to the CMIP5 archive, and take the mean 3D atmospheric state simulated during May 1990-1999 and subtract it from that simulated during May 2090-2099. Such 3D changes in temperature, humidity, geopotential height, and winds are added to synoptic/meso-scale analyses (NAM-ANL) of specific events, and this modified atmospheric state is then used for initial and boundary conditions for real-data WRF model simulations of the events at high resolution. Comparison of an ensemble of these simulations with control (CTRL) simulations facilitates assessment of PGW effects. In contrast to the robust development of supercellular convection in our CTRL simulations, the combined effects of increased CIN and decreased forcing under PGW led to a failure of convection initiation in many of our ensemble members. Those members that had sufficient matching between the CIN and forcing tended to generate stronger convective updrafts than in the CTRL simulations, because of the relatively higher CAPE under PGW. And, the members with enhanced updrafts also tended to have enhanced vertical rotation. In fact, such mesocyclonic rotation and attendant supercellular morphology were even found in simulations that were driven with PGW-reduced environmental wind shear.

Simultaneous ion and neutral evaporation in aqueous nanodrops: experiment, theory, and molecular dynamics simulations.

PubMed

Higashi, Hidenori; Tokumi, Takuya; Hogan, Christopher J; Suda, Hiroshi; Seto, Takafumi; Otani, Yoshio

2015-06-28

We use a combination of tandem ion mobility spectrometry (IMS-IMS, with differential mobility analyzers), molecular dynamics (MD) simulations, and analytical models to examine both neutral solvent (H2O) and ion (solvated Na(+)) evaporation from aqueous sodium chloride nanodrops. For experiments, nanodrops were produced via electrospray ionization (ESI) of an aqueous sodium chloride solution. Two nanodrops were examined in MD simulations: a 2500 water molecule nanodrop with 68 Na(+) and 60 Cl(-) ions (an initial net charge of z = +8), and (2) a 1000 water molecule nanodrop with 65 Na(+) and 60 Cl(-) ions (an initial net charge of z = +5). Specifically, we used MD simulations to examine the validity of a model for the neutral evaporation rate incorporating both the Kelvin (surface curvature) and Thomson (electrostatic) influences, while both MD simulations and experimental measurements were compared to predictions of the ion evaporation rate equation of Labowsky et al. [Anal. Chim. Acta, 2000, 406, 105-118]. Within a single fit parameter, we find excellent agreement between simulated and modeled neutral evaporation rates for nanodrops with solute volume fractions below 0.30. Similarly, MD simulation inferred ion evaporation rates are in excellent agreement with predictions based on the Labowsky et al. equation. Measurements of the sizes and charge states of ESI generated NaCl clusters suggest that the charge states of these clusters are governed by ion evaporation, however, ion evaporation appears to have occurred with lower activation energies in experiments than was anticipated based on analytical calculations as well as MD simulations. Several possible reasons for this discrepancy are discussed.

Marine boundary layer cloud regimes and POC formation in an LES coupled to a bulk aerosol scheme

NASA Astrophysics Data System (ADS)

Berner, A. H.; Bretherton, C. S.; Wood, R.; Muhlbauer, A.

2013-07-01

A large-eddy simulation (LES) coupled to a new bulk aerosol scheme is used to study long-lived regimes of aerosol-boundary layer cloud-precipitation interaction and the development of pockets of open cells (POCs) in subtropical stratocumulus cloud layers. The aerosol scheme prognoses mass and number concentration of a single log-normal accumulation mode with surface and entrainment sources, evolving subject to processing of activated aerosol and scavenging of dry aerosol by cloud and rain. The LES with the aerosol scheme is applied to a range of steadily-forced simulations idealized from a well-observed POC case. The long-term system evolution is explored with extended two-dimensional simulations of up to 20 days, mostly with diurnally-averaged insolation. One three-dimensional two-day simulation confirms the initial development of the corresponding two-dimensional case. With weak mean subsidence, an initially aerosol-rich mixed layer deepens, the capping stratocumulus cloud slowly thickens and increasingly depletes aerosol via precipitation accretion, then the boundary layer transitions within a few hours into an open-cell regime with scattered precipitating cumuli, in which entrainment is much weaker. The inversion slowly collapses for several days until the cumulus clouds are too shallow to efficiently precipitate. Inversion cloud then reforms and radiatively drives renewed entrainment, allowing the boundary layer to deepen and become more aerosol-rich, until the stratocumulus layer thickens enough to undergo another cycle of open-cell formation. If mean subsidence is stronger, the stratocumulus never thickens enough to initiate drizzle and settles into a steady state. With lower initial aerosol concentrations, this system quickly transitions into open cells, collapses, and redevelops into a different steady state with a shallow, optically thin cloud layer. In these steady states, interstitial scavenging by cloud droplets is the main sink of aerosol number. The system is described in a reduced two-dimensional phase plane with inversion height and boundary-layer average aerosol concentrations as the state variables. Simulations with a full diurnal cycle show similar evolutions, except that open-cell formation is phase-locked into the early morning hours. The same steadily-forced modeling framework is applied to the development and evolution of a POC and the surrounding overcast boundary layer. An initial aerosol perturbation applied to a portion of the model domain leads that portion to transition into open-cell convection, forming a POC. Reduced entrainment in the POC induces a negative feedback between areal fraction covered by the POC and boundary layer depth changes. This stabilizes the system by controlling liquid water path and precipitation sinks of aerosol number in the overcast region, while also preventing boundary-layer collapse within the POC, allowing the POC and overcast to coexist indefinitely in a quasi-steady equilibrium.

Molecular Dynamics Simulations of the Initial-State Predict Product Distributions of Dediazoniation of Aryldiazonium in Binary Solvents.

PubMed

Cruz, Gustavo N; Lima, Filipe S; Dias, Luís G; El Seoud, Omar A; Horinek, Dominik; Chaimovich, Hernan; Cuccovia, Iolanda M

2015-09-04

The dediazoniation of aryldiazonium salts in mixed solvents proceeds by a borderline SN1 and SN2 pathway, and product distribution should be proportional to the composition of the solvation shell of the carbon attached to the -N2 group (ipso carbon). The rates of dediazoniation of 2,4,6-trimethylbenzenediazonium in water, methanol, ethanol, propanol, and acetonitrile were similar, but measured product distributions were noticeably dependent on the nature of the water/cosolvent mixture. Here we demonstrated that solvent distribution in the first solvation shell of the ipso carbon, calculated from classical molecular dynamics simulations, is equal to the measured product distribution. Furthermore, we showed that regardless of the charge distribution of the initial state, i.e., whether the positive charge is smeared over the molecule or localized on phenyl moiety, the solvent distribution around the reaction center is nearly the same.

Single-Molecule Probing the Energy Landscape of Enzymatic Reaction and Non-Covalent Interactions

NASA Astrophysics Data System (ADS)

Lu, H. Peter; Hu, Dehong; Chen, Yu; Vorpagel, Erich R.

2002-03-01

We have applied single-molecule spectroscopy under physiological conditions to study the mechanisms and dynamics of T4 lysozyme enzymatic reactions, characterizing mode-specific protein conformational dynamics. Enzymatic reaction turnovers and the associated structure changes of individual protein molecules were observed simultaneously in real-time. The overall reaction rates were found to vary widely from molecule-to-molecule, and the initial non-specific binding of the enzyme to the substrate was seen to dominate this inhomogeneity. The reaction steps subsequent to the initial binding were found to have homogeneous rates. Molecular dynamics simulation has been applied to elucidate the mechanism and intermediate states of the single-molecule enzymatic reaction. Combining the analysis of single-molecule experimental trajectories, MD simulation trajectories, and statistical modeling, we have revealed the nature of multiple intermediate states involved in the active enzyme-substrate complex formation and the associated conformational change mechanism and dynamics.

On the Simulation of Sea States with High Significant Wave Height for the Validation of Parameter Retrieval Algorithms for Future Altimetry Missions

NASA Astrophysics Data System (ADS)

Kuschenerus, Mieke; Cullen, Robert

2016-08-01

To ensure reliability and precision of wave height estimates for future satellite altimetry missions such as Sentinel 6, reliable parameter retrieval algorithms that can extract significant wave heights up to 20 m have to be established. The retrieved parameters, i.e. the retrieval methods need to be validated extensively on a wide range of possible significant wave heights. Although current missions require wave height retrievals up to 20 m, there is little evidence of systematic validation of parameter retrieval methods for sea states with wave heights above 10 m. This paper provides a definition of a set of simulated sea states with significant wave height up to 20 m, that allow simulation of radar altimeter response echoes for extreme sea states in SAR and low resolution mode. The simulated radar responses are used to derive significant wave height estimates, which can be compared with the initial models, allowing precision estimations of the applied parameter retrieval methods. Thus we establish a validation method for significant wave height retrieval for sea states causing high significant wave heights, to allow improved understanding and planning of future satellite altimetry mission validation.

Representing and selecting vibrational angular momentum states for quasiclassical trajectory chemical dynamics simulations.

PubMed

Lourderaj, Upakarasamy; Martínez-Núñez, Emilio; Hase, William L

2007-10-18

Linear molecules with degenerate bending modes have states, which may be represented by the quantum numbers N and L. The former gives the total energy for these modes and the latter identifies their vibrational angular momentum jz. In this work, the classical mechanical analog of the N,L-quantum states is reviewed, and an algorithm is presented for selecting initial conditions for these states in quasiclassical trajectory chemical dynamics simulations. The algorithm is illustrated by choosing initial conditions for the N = 3 and L = 3 and 1 states of CO2. Applications of this algorithm are considered for initial conditions without and with zero-point energy (zpe) included in the vibrational angular momentum states and the C-O stretching modes. The O-atom motions in the x,y-plane are determined for these states from classical trajectories in Cartesian coordinates and are compared with the motion predicted by the normal-mode model. They are only in agreement for the N = L = 3 state without vibrational angular momentum zpe. For the remaining states, the Cartesian O-atom motions are considerably different from the elliptical motion predicted by the normal-mode model. This arises from bend-stretch coupling, including centrifugal distortion, in the Cartesian trajectories, which results in tubular instead of elliptical motion. Including zpe in the C-O stretch modes introduces considerable complexity into the O-atom motions for the vibrational angular momentum states. The short-time O-atom motions for these trajectories are highly irregular and do not appear to have any identifiable characteristics. However, the O-atom motions for trajectories integrated for substantially longer period of times acquire unique properties. With C-O stretch zpe included, the long-time O-atom motion becomes tubular for trajectories integrated to approximately 14 ps for the L = 3 states and to approximately 44 ps for the L = 1 states.

Purity of Gaussian states: Measurement schemes and time evolution in noisy channels

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

Paris, Matteo G.A.; Illuminati, Fabrizio; Serafini, Alessio

2003-07-01

We present a systematic study of the purity for Gaussian states of single-mode continuous variable systems. We prove the connection of purity to observable quantities for these states, and show that the joint measurement of two conjugate quadratures is necessary and sufficient to determine the purity at any time. The statistical reliability and the range of applicability of the proposed measurement scheme are tested by means of Monte Carlo simulated experiments. We then consider the dynamics of purity in noisy channels. We derive an evolution equation for the purity of general Gaussian states both in thermal and in squeezed thermalmore » baths. We show that purity is maximized at any given time for an initial coherent state evolving in a thermal bath, or for an initial squeezed state evolving in a squeezed thermal bath whose asymptotic squeezing is orthogonal to that of the input state.« less

Model simulation studies to clarify the effect on saccadic eye movements of initial condition velocities set by the Vestibular Ocular Reflex (VOR)

NASA Technical Reports Server (NTRS)

Nam, M. H.; Winters, J. M.; Stark, L.

1981-01-01

Voluntary active head rotations produced vestibulo-ocular reflex eye movements (VOR) with the subject viewing a fixation target. When this target jumped, the size of the refixation saccades were a function of the ongoing initial velocity of the eye. Saccades made against the VOR were larger in magnitude. Simulation of a reciprocally innervated model eye movement provided results comparable to the experimental data. Most of the experimental effect appeared to be due to linear summation for saccades of 5 and 10 degree magnitude. For small saccades of 2.5 degrees, peripheral nonlinear interaction of state variables in the neuromuscular plant also played a role as proven by comparable behavior in the simulated model with known controller signals.

Electromagnetic radiation as a probe of the initial state and of viscous dynamics in relativistic nuclear collisions

NASA Astrophysics Data System (ADS)

Vujanovic, Gojko; Paquet, Jean-François; Denicol, Gabriel S.; Luzum, Matthew; Jeon, Sangyong; Gale, Charles

2016-07-01

The penetrating nature of electromagnetic signals makes them suitable probes to explore the properties of the strongly interacting medium created in relativistic nuclear collisions. We examine the effects of the initial conditions and shear relaxation time on the spectra and flow coefficients of electromagnetic probes, using an event-by-event 3+1-dimensional viscous hydrodynamic simulation (music).

Particle-in-cell simulations of collisionless magnetic reconnection with a non-uniform guide field

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

Wilson, F., E-mail: fw237@st-andrews.ac.uk; Neukirch, T., E-mail: tn3@st-andrews.ac.uk; Harrison, M. G.

Results are presented of a first study of collisionless magnetic reconnection starting from a recently found exact nonlinear force-free Vlasov–Maxwell equilibrium. The initial state has a Harris sheet magnetic field profile in one direction and a non-uniform guide field in a second direction, resulting in a spatially constant magnetic field strength as well as a constant initial plasma density and plasma pressure. It is found that the reconnection process initially resembles guide field reconnection, but that a gradual transition to anti-parallel reconnection happens as the system evolves. The time evolution of a number of plasma parameters is investigated, and themore » results are compared with simulations starting from a Harris sheet equilibrium and a Harris sheet plus constant guide field equilibrium.« less

Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH2CN transition state: Disagreement with experiment

NASA Astrophysics Data System (ADS)

Pratihar, Subha; Ma, Xinyou; Xie, Jing; Scott, Rebecca; Gao, Eric; Ruscic, Branko; Aquino, Adelia J. A.; Setser, Donald W.; Hase, William L.

2017-10-01

Born-Oppenheimer direct dynamics simulations were performed to study atomistic details of the F + CH3CN → HF + CH2CN H-atom abstraction reaction. The simulation trajectories were calculated with a combined M06-2X/MP2 algorithm utilizing the 6-311++G** basis set. The experiments were performed at 300 K, and assuming the accuracy of transition state theory (TST), the trajectories were initiated at the F⋯HCH2CN abstraction TS with a 300 K Boltzmann distribution of energy and directed towards products. Recrossing of the TS was negligible, confirming the accuracy of TST. HF formation was rapid, occurring within 0.014 ps of the trajectory initiation. The intrinsic reaction coordinate (IRC) for reaction involves rotation of HF about CH2CN and then trapping in the CH2CN⋯HF post-reaction potential energy well of ˜10 kcal/mol with respect to the HF + CH2CN products. In contrast to this IRC, five different trajectory types were observed: the majority proceeded by direct H-atom transfer and only 11% approximately following the IRC. The HF vibrational and rotational quantum numbers, n and J, were calculated when HF was initially formed and they increase as potential energy is released in forming the HF + CH2CN products. The population of the HF product vibrational states is only in qualitative agreement with experiment, with the simulations showing depressed and enhanced populations of the n = 1 and 2 states as compared to experiment. Simulations with an anharmonic zero-point energy constraint gave product distributions for relative translation, HF rotation, HF vibration, CH2CN rotation, and CH2CN vibration as 5%, 11%, 60%, 7%, and 16%, respectively. In contrast, the experimental energy partitioning percentages to HF rotation and vibration are 6% and 41%. Comparisons are made between the current simulation and those for other F + H-atom abstraction reactions. The simulation product energy partitioning and HF vibrational population for F + CH3CN → HF + CH2CN resemble those for other reactions. A detailed discussion is given of possible origins of the difference between the simulation and experimental energy partitioning dynamics for F + CH3CN → HF + CH2CN. The F + CH3CN reaction also forms the CH3C(F)N intermediate, in which the F-atom adds to the C≡N bond. However, this intermediate and F⋯CH3CN and CH3CN⋯F van der Waals complexes are not expected to affect the F + CH3CN → HF + CH2CN product energy partitioning.

Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH2CN transition state: Disagreement with experiment.

PubMed

Pratihar, Subha; Ma, Xinyou; Xie, Jing; Scott, Rebecca; Gao, Eric; Ruscic, Branko; Aquino, Adelia J A; Setser, Donald W; Hase, William L

2017-10-14

Born-Oppenheimer direct dynamics simulations were performed to study atomistic details of the F + CH 3 CN → HF + CH 2 CN H-atom abstraction reaction. The simulation trajectories were calculated with a combined M06-2X/MP2 algorithm utilizing the 6-311++G** basis set. The experiments were performed at 300 K, and assuming the accuracy of transition state theory (TST), the trajectories were initiated at the F⋯HCH 2 CN abstraction TS with a 300 K Boltzmann distribution of energy and directed towards products. Recrossing of the TS was negligible, confirming the accuracy of TST. HF formation was rapid, occurring within 0.014 ps of the trajectory initiation. The intrinsic reaction coordinate (IRC) for reaction involves rotation of HF about CH 2 CN and then trapping in the CH 2 CN⋯HF post-reaction potential energy well of ∼10 kcal/mol with respect to the HF + CH 2 CN products. In contrast to this IRC, five different trajectory types were observed: the majority proceeded by direct H-atom transfer and only 11% approximately following the IRC. The HF vibrational and rotational quantum numbers, n and J, were calculated when HF was initially formed and they increase as potential energy is released in forming the HF + CH 2 CN products. The population of the HF product vibrational states is only in qualitative agreement with experiment, with the simulations showing depressed and enhanced populations of the n = 1 and 2 states as compared to experiment. Simulations with an anharmonic zero-point energy constraint gave product distributions for relative translation, HF rotation, HF vibration, CH 2 CN rotation, and CH 2 CN vibration as 5%, 11%, 60%, 7%, and 16%, respectively. In contrast, the experimental energy partitioning percentages to HF rotation and vibration are 6% and 41%. Comparisons are made between the current simulation and those for other F + H-atom abstraction reactions. The simulation product energy partitioning and HF vibrational population for F + CH 3 CN → HF + CH 2 CN resemble those for other reactions. A detailed discussion is given of possible origins of the difference between the simulation and experimental energy partitioning dynamics for F + CH 3 CN → HF + CH 2 CN. The F + CH 3 CN reaction also forms the CH 3 C(F)N intermediate, in which the F-atom adds to the C≡N bond. However, this intermediate and F⋯CH 3 CN and CH 3 CN⋯F van der Waals complexes are not expected to affect the F + CH 3 CN → HF + CH 2 CN product energy partitioning.

1D GAS-DYNAMIC SIMULATION OF SHOCK-WAVE PROCESSES VIA INTERNET

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

Khishchenko, K. V.; Levashov, P. R.; Povarnitsyn, M. E.

2009-12-28

We present a Web-interface for 1D simulation of different shock-wave experiments. The choosing of initial parameters, the modeling itself and output data treatment can be made directly via the Internet. The interface is based upon the expert system on shock-wave data and equations of state and contains both the Eulerian and Lagrangian Godunov hydrocodes. The availability of equations of state for a broad set of substances makes this system a useful tool for planning and interpretation of shock-wave experiments. As an example of simulation with the system, results of modeling of multistep shock loading of potassium between polytetrafluoroethylene and stainlessmore » steel plates are presented in comparison with experimental data from Shakhray et al.(2005).« less

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

Parkin, E. R.; Bicknell, G. V., E-mail: parkin@mso.anu.edu.au

Global three-dimensional magnetohydrodynamic (MHD) simulations of turbulent accretion disks are presented which start from fully equilibrium initial conditions in which the magnetic forces are accounted for and the induction equation is satisfied. The local linear theory of the magnetorotational instability (MRI) is used as a predictor of the growth of magnetic field perturbations in the global simulations. The linear growth estimates and global simulations diverge when nonlinear motions-perhaps triggered by the onset of turbulence-upset the velocity perturbations used to excite the MRI. The saturated state is found to be independent of the initially excited MRI mode, showing that once themore » disk has expelled the initially net flux field and settled into quasi-periodic oscillations in the toroidal magnetic flux, the dynamo cycle regulates the global saturation stress level. Furthermore, time-averaged measures of converged turbulence, such as the ratio of magnetic energies, are found to be in agreement with previous works. In particular, the globally averaged stress normalized to the gas pressure <{alpha}{sub P}>bar = 0.034, with notably higher values achieved for simulations with higher azimuthal resolution. Supplementary tests are performed using different numerical algorithms and resolutions. Convergence with resolution during the initial linear MRI growth phase is found for 23-35 cells per scale height (in the vertical direction).« less

Gravitational entropy and the cosmological no-hair conjecture

NASA Astrophysics Data System (ADS)

Bolejko, Krzysztof

2018-04-01

The gravitational entropy and no-hair conjectures seem to predict contradictory future states of our Universe. The growth of the gravitational entropy is associated with the growth of inhomogeneity, while the no-hair conjecture argues that a universe dominated by dark energy should asymptotically approach a homogeneous and isotropic de Sitter state. The aim of this paper is to study these two conjectures. The investigation is based on the Simsilun simulation, which simulates the universe using the approximation of the Silent Universe. The Silent Universe is a solution to the Einstein equations that assumes irrotational, nonviscous, and insulated dust, with vanishing magnetic part of the Weyl curvature. The initial conditions for the Simsilun simulation are sourced from the Millennium simulation, which results with a realistically appearing but relativistic at origin simulation of a universe. The Simsilun simulation is evolved from the early universe (t =25 Myr ) until far future (t =1000 Gyr ). The results of this investigation show that both conjectures are correct. On global scales, a universe with a positive cosmological constant and nonpositive spatial curvature does indeed approach the de Sitter state. At the same time it keeps generating the gravitational entropy.

Relaxation processes in a low-order three-dimensional magnetohydrodynamics model

NASA Technical Reports Server (NTRS)

Stribling, Troy; Matthaeus, William H.

1991-01-01

The time asymptotic behavior of a Galerkin model of 3D magnetohydrodynamics (MHD) has been interpreted using the selective decay and dynamic alignment relaxation theories. A large number of simulations has been performed that scan a parameter space defined by the rugged ideal invariants, including energy, cross helicity, and magnetic helicity. It is concluded that time asymptotic state can be interpreted as a relaxation to minimum energy. A simple decay model, based on absolute equilibrium theory, is found to predict a mapping of initial onto time asymptotic states, and to accurately describe the long time behavior of the runs when magnetic helicity is present. Attention is also given to two processes, operating on time scales shorter than selective decay and dynamic alignment, in which the ratio of kinetic to magnetic energy relaxes to values 0(1). The faster of the two processes takes states initially dominant in magnetic energy to a state of near-equipartition between kinetic and magnetic energy through power law growth of kinetic energy. The other process takes states initially dominant in kinetic energy to the near-equipartitioned state through exponential growth of magnetic energy.

Performance analysis of air-water quantum key distribution with an irregular sea surface

NASA Astrophysics Data System (ADS)

Xu, Hua-bin; Zhou, Yuan-yuan; Zhou, Xue-jun; Wang, Lian

2018-05-01

In the air-water quantum key distribution (QKD), the irregular sea surface has some influence on the photon polarization state. The wind is considered as the main factor causing the irregularity, so the model of irregular sea surface based on the wind speed is adopted. The relationships of the quantum bit error rate with the wind speed and the initial incident angle are simulated. Therefore, the maximum secure transmission depth of QKD is confirmed, and the limitation of the wind speed and the initial incident angle is determined. The simulation results show that when the wind speed and the initial incident angle increase, the performance of QKD will fall down. Under the intercept-resend attack condition, the maximum safe transmission depth of QKD is up to 105 m. To realize safe communications in the safe diving depth of submarines (100 m), the initial incident angle is requested to be not exceeding 26°, and with the initial incident angle increased, the limitation of wind speed is decreased.

Revealing Hidden Conformational Space of LOV Protein VIVID Through Rigid Residue Scan Simulations

NASA Astrophysics Data System (ADS)

Zhou, Hongyu; Zoltowski, Brian D.; Tao, Peng

2017-04-01

VIVID(VVD) protein is a Light-Oxygen-Voltage(LOV) domain in circadian clock system. Upon blue light activation, a covalent bond is formed between VVD residue Cys108 and its cofactor flavin adenine dinucleotide(FAD), and prompts VVD switching from Dark state to Light state with significant conformational deviation. However, the mechanism of this local environment initiated global protein conformational change remains elusive. We employed a recently developed computational approach, rigid residue scan(RRS), to systematically probe the impact of the internal degrees of freedom in each amino acid residue of VVD on its overall dynamics by applying rigid body constraint on each residue in molecular dynamics simulations. Key residues were identified with distinctive impacts on Dark and Light states, respectively. All the simulations display wide range of distribution on a two-dimensional(2D) plot upon structural root-mean-square deviations(RMSD) from either Dark or Light state. Clustering analysis of the 2D RMSD distribution leads to 15 representative structures with drastically different conformation of N-terminus, which is also a key difference between Dark and Light states of VVD. Further principle component analyses(PCA) of RRS simulations agree with the observation of distinctive impact from individual residues on Dark and Light states.

Optimizing Adiabaticity in a Trapped-Ion Quantum Simulator

NASA Astrophysics Data System (ADS)

Richerme, Phil; Senko, Crystal; Korenblit, Simcha; Smith, Jacob; Lee, Aaron; Monroe, Christopher

2013-05-01

Trapped-ion quantum simulators are a leading platform for the study of interacting spin systems, such as fully-connected Ising models with transverse and axial fields. Phonon-mediated spin-dependent optical dipole forces act globally on a linear chain of trapped Yb-171+ ions to generate the spin-spin couplings, with the form and range of such couplings controlled by laser frequencies and trap voltages. The spins are initially prepared along an effective transverse magnetic field, which is large compared to the Ising couplings and slowly ramped down during the quantum simulation. The system remains in the ground state throughout the evolution if the ramp is adiabatic, and the spin ordering is directly measured by state-dependent fluorescence imaging of the ions onto a camera. Two techniques can improve the identification of the ground state at the end of simulations that are unavoidably diabatic. First, we show an optimized ramp protocol that gives a maximal probability of measuring the true ground state given a finite ramp time. Second, we show that no spin ordering is more prevalent than the ground state(s), even for non-adiabatic ramps. This work is supported by grants from the U.S. Army Research Office with funding from the DARPA OLE program, IARPA, and the MURI program; and the NSF Physics Frontier Center at JQI.

Revealing Hidden Conformational Space of LOV Protein VIVID Through Rigid Residue Scan Simulations

PubMed Central

Zhou, Hongyu; Zoltowski, Brian D.; Tao, Peng

2017-01-01

VIVID(VVD) protein is a Light-Oxygen-Voltage(LOV) domain in circadian clock system. Upon blue light activation, a covalent bond is formed between VVD residue Cys108 and its cofactor flavin adenine dinucleotide(FAD), and prompts VVD switching from Dark state to Light state with significant conformational deviation. However, the mechanism of this local environment initiated global protein conformational change remains elusive. We employed a recently developed computational approach, rigid residue scan(RRS), to systematically probe the impact of the internal degrees of freedom in each amino acid residue of VVD on its overall dynamics by applying rigid body constraint on each residue in molecular dynamics simulations. Key residues were identified with distinctive impacts on Dark and Light states, respectively. All the simulations display wide range of distribution on a two-dimensional(2D) plot upon structural root-mean-square deviations(RMSD) from either Dark or Light state. Clustering analysis of the 2D RMSD distribution leads to 15 representative structures with drastically different conformation of N-terminus, which is also a key difference between Dark and Light states of VVD. Further principle component analyses(PCA) of RRS simulations agree with the observation of distinctive impact from individual residues on Dark and Light states. PMID:28425502

Neutron halo in 14B studied via reaction cross sections

NASA Astrophysics Data System (ADS)

Fukuda, M.; Nishimura, D.; Suzuki, S.; Tanaka, M.; Takechi, M.; Iwamoto, K.; Wakabayashi, S.; Yaguchi, M.; Ohno, J.; Morita, Y.; Kamisho, Y.; Mihara, M.; Matsuta, K.; Nagashima, M.; Ohtsubo, T.; Izumikawa, T.; Ogura, T.; Abe, K.; Kikukawa, N.; Sakai, T.; Sera, D.; Suzuki, T.; Yamaguchi, T.; Sato, K.; Furuki, H.; Miyazawa, S.; Ichihashi, N.; Kohno, J.; Yamaki, S.; Kitagawa, A.; Sato, S.; Fukuda, S.

2014-03-01

Reaction cross sections (σR) for the neutron-rich nucleus 14B on Be, C, and Al targets have been measured at several energies in the intermediate energy range of 45-120 MeV/nucleon. The present experimental σR show a significant enhancement relative to the systematics of stable nuclei. The nucleon density distribution was deduced through the fitting procedure with the modified Glauber calculation. The necessity of a long tail in the density distribution was found, which is consistent with the valence neutron in 2s1/2 orbital with the small empirical one-neutron separation energy in 14B.

An equation-of-state-meter of quantum chromodynamics transition from deep learning

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

Pang, Long-Gang; Zhou, Kai; Su, Nan

A primordial state of matter consisting of free quarks and gluons that existed in the early universe a few microseconds after the Big Bang is also expected to form in high-energy heavy-ion collisions. Determining the equation of state (EoS) of such a primordial matter is the ultimate goal of high-energy heavy-ion experiments. Here we use supervised learning with a deep convolutional neural network to identify the EoS employed in the relativistic hydrodynamic simulations of heavy ion collisions. High-level correlations of particle spectra in transverse momentum and azimuthal angle learned by the network act as an effective EoS-meter in deciphering themore » nature of the phase transition in quantum chromodynamics. Finally, such EoS-meter is model-independent and insensitive to other simulation inputs including the initial conditions for hydrodynamic simulations.« less

An equation-of-state-meter of quantum chromodynamics transition from deep learning

DOE PAGES

Pang, Long-Gang; Zhou, Kai; Su, Nan; ...

2018-01-15

A primordial state of matter consisting of free quarks and gluons that existed in the early universe a few microseconds after the Big Bang is also expected to form in high-energy heavy-ion collisions. Determining the equation of state (EoS) of such a primordial matter is the ultimate goal of high-energy heavy-ion experiments. Here we use supervised learning with a deep convolutional neural network to identify the EoS employed in the relativistic hydrodynamic simulations of heavy ion collisions. High-level correlations of particle spectra in transverse momentum and azimuthal angle learned by the network act as an effective EoS-meter in deciphering themore » nature of the phase transition in quantum chromodynamics. Finally, such EoS-meter is model-independent and insensitive to other simulation inputs including the initial conditions for hydrodynamic simulations.« less

Arrays of individually controlled ions suitable for two-dimensional quantum simulations

PubMed Central

Mielenz, Manuel; Kalis, Henning; Wittemer, Matthias; Hakelberg, Frederick; Warring, Ulrich; Schmied, Roman; Blain, Matthew; Maunz, Peter; Moehring, David L.; Leibfried, Dietrich; Schaetz, Tobias

2016-01-01

A precisely controlled quantum system may reveal a fundamental understanding of another, less accessible system of interest. A universal quantum computer is currently out of reach, but an analogue quantum simulator that makes relevant observables, interactions and states of a quantum model accessible could permit insight into complex dynamics. Several platforms have been suggested and proof-of-principle experiments have been conducted. Here, we operate two-dimensional arrays of three trapped ions in individually controlled harmonic wells forming equilateral triangles with side lengths 40 and 80 μm. In our approach, which is scalable to arbitrary two-dimensional lattices, we demonstrate individual control of the electronic and motional degrees of freedom, preparation of a fiducial initial state with ion motion close to the ground state, as well as a tuning of couplings between ions within experimental sequences. Our work paves the way towards a quantum simulator of two-dimensional systems designed at will. PMID:27291425

Micromagnetic simulation study of magnetization reversal in torus-shaped permalloy nanorings

NASA Astrophysics Data System (ADS)

Mishra, Amaresh Chandra; Giri, R.

2017-09-01

Using micromagnetic simulation, the magnetization reversal of soft permalloy rings of torus shape with major radius R varying within 20-100 nm has been investigated. The minor radius r of the torus rings was increased from 5 nm up to a maximum value rmax such that R- rmax = 10 nm. Micromagnetic simulation of in-plane hysteresis curve of these nanorings revealed that in the case of very thin rings (r ≤ 10 nm), the remanent state is found to be an onion state, whereas for all other rings, the remanent state is a vortex state. The area of the hysteresis loop was found to be decreasing gradually with the increment of r. The normalized area under the hysteresis loops (AN) increases initially with increment of r. It attains a maximum for a certain value of r = r0 and again decreases thereafter. This value r0 increases as we decrease R and as a result, this peak feature is hardly visible in the case of smaller rings (rings having small R).

SU-F-T-144: Analytical Closed Form Approximation for Carbon Ion Bragg Curves in Water

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

Tuomanen, S; Moskvin, V; Farr, J

2016-06-15

Purpose: Semi-empirical modeling is a powerful computational method in radiation dosimetry. A set of approximations exist for proton ion depth dose distribution (DDD) in water. However, the modeling is more complicated for carbon ions due to fragmentation. This study addresses this by providing and evaluating a new methodology for DDD modeling of carbon ions in water. Methods: The FLUKA, Monte Carlo (MC) general-purpose transport code was used for simulation of carbon DDDs for energies of 100–400 MeV in water as reference data model benchmarking. Based on Thomas Bortfeld’s closed form equation approximating proton Bragg Curves as a basis, we derivedmore » the critical constants for a beam of Carbon ions by applying models of radiation transport by Lee et. al. and Geiger to our simulated Carbon curves. We hypothesized that including a new exponential (κ) residual distance parameter to Bortfeld’s fluence reduction relation would improve DDD modeling for carbon ions. We are introducing an additional term to be added to Bortfeld’s equation to describe fragmentation tail. This term accounts for the pre-peak dose from nuclear fragments (NF). In the post peak region, the NF transport will be treated as new beams utilizing the Glauber model for interaction cross sections and the Abrasion- Ablation fragmentation model. Results: The carbon beam specific constants in the developed model were determined to be : p= 1.75, β=0.008 cm-1, γ=0.6, α=0.0007 cm MeV, σmono=0.08, and the new exponential parameter κ=0.55. This produced a close match for the plateau part of the curve (max deviation 6.37%). Conclusion: The derived semi-empirical model provides an accurate approximation of the MC simulated clinical carbon DDDs. This is the first direct semi-empirical simulation for the dosimetry of therapeutic carbon ions. The accurate modeling of the NF tail in the carbon DDD will provide key insight into distal edge dose deposition formation.« less

Dynamical initial-state model for relativistic heavy-ion collisions

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

Shen, Chun; Schenke, Bjorn

We present a fully three-dimensional model providing initial conditions for energy and net-baryon density distributions in heavy ion collisions at arbitrary collision energy. The model includes the dynamical deceleration of participating nucleons or valence quarks, depending on the implementation. The duration of the deceleration continues until the string spanned between colliding participants is assumed to thermalize, which is either after a fixed proper time, or a uctuating time depending on sampled final rapidities. Energy is deposited in space-time along the string, which in general will span a range of space-time rapidities and proper times. We study various observables obtained directlymore » from the initial state model, including net-baryon rapidity distributions, 2-particle rapidity correlations, as well as the rapidity decorrelation of the transverse geometry. Their dependence on the model implementation and parameter values is investigated. Here, we also present the implementation of the model with 3+1 dimensional hydrodynamics, which involves the addition of source terms that deposit energy and net-baryon densities produced by the initial state model at proper times greater than the initial time for the hydrodynamic simulation.« less

Dynamical initial-state model for relativistic heavy-ion collisions

NASA Astrophysics Data System (ADS)

Shen, Chun; Schenke, Björn

2018-02-01

We present a fully three-dimensional model providing initial conditions for energy and net-baryon density distributions in heavy-ion collisions at arbitrary collision energy. The model includes the dynamical deceleration of participating nucleons or valence quarks, depending on the implementation. The duration of the deceleration continues until the string spanned between colliding participants is assumed to thermalize, which is either after a fixed proper time, or a fluctuating time depending on sampled final rapidities. Energy is deposited in space time along the string, which in general will span a range of space-time rapidities and proper times. We study various observables obtained directly from the initial-state model, including net-baryon rapidity distributions, two-particle rapidity correlations, as well as the rapidity decorrelation of the transverse geometry. Their dependence on the model implementation and parameter values is investigated. We also present the implementation of the model with 3+1-dimensional hydrodynamics, which involves the addition of source terms that deposit energy and net-baryon densities produced by the initial-state model at proper times greater than the initial time for the hydrodynamic simulation.

Dynamical initial-state model for relativistic heavy-ion collisions

DOE PAGES

Shen, Chun; Schenke, Bjorn

2018-02-15

We present a fully three-dimensional model providing initial conditions for energy and net-baryon density distributions in heavy ion collisions at arbitrary collision energy. The model includes the dynamical deceleration of participating nucleons or valence quarks, depending on the implementation. The duration of the deceleration continues until the string spanned between colliding participants is assumed to thermalize, which is either after a fixed proper time, or a uctuating time depending on sampled final rapidities. Energy is deposited in space-time along the string, which in general will span a range of space-time rapidities and proper times. We study various observables obtained directlymore » from the initial state model, including net-baryon rapidity distributions, 2-particle rapidity correlations, as well as the rapidity decorrelation of the transverse geometry. Their dependence on the model implementation and parameter values is investigated. Here, we also present the implementation of the model with 3+1 dimensional hydrodynamics, which involves the addition of source terms that deposit energy and net-baryon densities produced by the initial state model at proper times greater than the initial time for the hydrodynamic simulation.« less

Topology of Collisionless Relaxation

NASA Astrophysics Data System (ADS)

Pakter, Renato; Levin, Yan

2013-04-01

Using extensive molecular dynamics simulations we explore the fine-grained phase space structure of systems with long-range interactions. We find that if the initial phase space particle distribution has no holes, the final stationary distribution will also contain a compact simply connected region. The microscopic holes created by the filamentation of the initial distribution function are always restricted to the outer regions of the phase space. In general, for complex multilevel distributions it is very difficult to a priori predict the final stationary state without solving the full dynamical evolution. However, we show that, for multilevel initial distributions satisfying a generalized virial condition, it is possible to predict the particle distribution in the final stationary state using Casimir invariants of the Vlasov dynamics.

Meso-Beta scale numerical simulation studies of terrain-induced jet streak mass/momentum perturbations

NASA Technical Reports Server (NTRS)

Lin, Yuh-Lang; Kaplan, Michael L.

1993-01-01

The Control-B simulation experiment was designed to improve on the Control-A experiment performed with the GMASS model. This experiment addressed several inadequacies with the first smooth terrain numerical simulation by including: (1) increased nested-grid resolution to better define the simulated gravity waves, (2) increased horizontal diffusion to remove outflow boundary condition noise, and (3) the use of reanalyzed rawinsonde data and surface observations in the initial state to increase the definition of the observed jet streak as well as other low-level features. A smoothed-terrain dry simulation with the nested-grid GMASS model has revealed many important aspects of the processes which resulted in the generation of gravity waves in the region and time when and where they were observed. However, the vertical structure, number, and characteristics of the waves are still quite different from observed waves as diagnosed thus necessitating future improved simulations. However, this control simulation has produced substantial insight into processes which occur on many spatial scales over a 30 hour time period thus allowing one to draw promising inferences as to the mechanisms for the complex process which occurred in nature during the CCOPE case study. The theoretical aspects of the project have focus on understanding the nature of the ageostrophic circulations which are produced in idealized models of the atmosphere in which the troposphere is modeled in one of two ways. The first model assumes that the lower atmosphere can be represented as a single layer of homogeneous fluid whose upper surface is free to exhibit vertical displacement. Two-dimensional internal convergence (divergence) occurring during the adjustment to an asymptotic equilibrium state from an ageostrophic initial state whose momentum structure is representative of a midlatitude localized zonal wind anomaly will cause the free upper surface of the homogeneous atmosphere to rise (fall), and therefore the response can be viewed as being physically three-dimensional. The second model assumes that the troposphere can be represented by an unbounded continuously stratified Boussinesq fluid of constant Brunt-Vaisala frequency N, where the vertical gradient of the basic state potential temperature profile allows for the existence of vertically propagating internal inertia-gravity waves.

Modeling the Impact of Simulated Educational Interventions on the Use and Abuse of Pharmaceutical Opioids in the United States: A Report on Initial Efforts

ERIC Educational Resources Information Center

Wakeland, Wayne; Nielsen, Alexandra; Schmidt, Teresa D.; McCarty, Dennis; Webster, Lynn R.; Fitzgerald, John; Haddox, J. David

2013-01-01

Three educational interventions were simulated in a system dynamics model of the medical use, trafficking, and nonmedical use of pharmaceutical opioids. The study relied on secondary data obtained in the literature for the period of 1995 to 2008 as well as expert panel recommendations regarding model parameters and structure. The behavior of the…

Three-dimensional discrete element method simulation of core disking

NASA Astrophysics Data System (ADS)

Wu, Shunchuan; Wu, Haoyan; Kemeny, John

2018-04-01

The phenomenon of core disking is commonly seen in deep drilling of highly stressed regions in the Earth's crust. Given its close relationship with the in situ stress state, the presence and features of core disking can be used to interpret the stresses when traditional in situ stress measuring techniques are not available. The core disking process was simulated in this paper using the three-dimensional discrete element method software PFC3D (particle flow code). In particular, PFC3D is used to examine the evolution of fracture initiation, propagation and coalescence associated with core disking under various stress states. In this paper, four unresolved problems concerning core disking are investigated with a series of numerical simulations. These simulations also provide some verification of existing results by other researchers: (1) Core disking occurs when the maximum principal stress is about 6.5 times the tensile strength. (2) For most stress situations, core disking occurs from the outer surface, except for the thrust faulting stress regime, where the fractures were found to initiate from the inner part. (3) The anisotropy of the two horizontal principal stresses has an effect on the core disking morphology. (4) The thickness of core disk has a positive relationship with radial stress and a negative relationship with axial stresses.

A Modeling and Verification Study of Summer Precipitation Systems Using NASA Surface Initialization Datasets

NASA Technical Reports Server (NTRS)

Jonathan L. Case; Kumar, Sujay V.; Srikishen, Jayanthi; Jedlovec, Gary J.

2010-01-01

One of the most challenging weather forecast problems in the southeastern U.S. is daily summertime pulse-type convection. During the summer, atmospheric flow and forcing are generally weak in this region; thus, convection typically initiates in response to local forcing along sea/lake breezes, and other discontinuities often related to horizontal gradients in surface heating rates. Numerical simulations of pulse convection usually have low skill, even in local predictions at high resolution, due to the inherent chaotic nature of these precipitation systems. Forecast errors can arise from assumptions within parameterization schemes, model resolution limitations, and uncertainties in both the initial state of the atmosphere and land surface variables such as soil moisture and temperature. For this study, it is hypothesized that high-resolution, consistent representations of surface properties such as soil moisture, soil temperature, and sea surface temperature (SST) are necessary to better simulate the interactions between the surface and atmosphere, and ultimately improve predictions of summertime pulse convection. This paper describes a sensitivity experiment using the Weather Research and Forecasting (WRF) model. Interpolated land and ocean surface fields from a large-scale model are replaced with high-resolution datasets provided by unique NASA assets in an experimental simulation: the Land Information System (LIS) and Moderate Resolution Imaging Spectroradiometer (MODIS) SSTs. The LIS is run in an offline mode for several years at the same grid resolution as the WRF model to provide compatible land surface initial conditions in an equilibrium state. The MODIS SSTs provide detailed analyses of SSTs over the oceans and large lakes compared to current operational products. The WRF model runs initialized with the LIS+MODIS datasets result in a reduction in the overprediction of rainfall areas; however, the skill is almost equally as low in both experiments using traditional verification methodologies. Output from object-based verification within NCAR s Meteorological Evaluation Tools reveals that the WRF runs initialized with LIS+MODIS data consistently generated precipitation objects that better matched observed precipitation objects, especially at higher precipitation intensities. The LIS+MODIS runs produced on average a 4% increase in matched precipitation areas and a simultaneous 4% decrease in unmatched areas during three months of daily simulations.

Vibronic Boson Sampling: Generalized Gaussian Boson Sampling for Molecular Vibronic Spectra at Finite Temperature.

PubMed

Huh, Joonsuk; Yung, Man-Hong

2017-08-07

Molecular vibroic spectroscopy, where the transitions involve non-trivial Bosonic correlation due to the Duschinsky Rotation, is strongly believed to be in a similar complexity class as Boson Sampling. At finite temperature, the problem is represented as a Boson Sampling experiment with correlated Gaussian input states. This molecular problem with temperature effect is intimately related to the various versions of Boson Sampling sharing the similar computational complexity. Here we provide a full description to this relation in the context of Gaussian Boson Sampling. We find a hierarchical structure, which illustrates the relationship among various Boson Sampling schemes. Specifically, we show that every instance of Gaussian Boson Sampling with an initial correlation can be simulated by an instance of Gaussian Boson Sampling without initial correlation, with only a polynomial overhead. Since every Gaussian state is associated with a thermal state, our result implies that every sampling problem in molecular vibronic transitions, at any temperature, can be simulated by Gaussian Boson Sampling associated with a product of vacuum modes. We refer such a generalized Gaussian Boson Sampling motivated by the molecular sampling problem as Vibronic Boson Sampling.

A Markov Environment-dependent Hurricane Intensity Model and Its Comparison with Multiple Dynamic Models

NASA Astrophysics Data System (ADS)

Jing, R.; Lin, N.; Emanuel, K.; Vecchi, G. A.; Knutson, T. R.

2017-12-01

A Markov environment-dependent hurricane intensity model (MeHiM) is developed to simulate the climatology of hurricane intensity given the surrounding large-scale environment. The model considers three unobserved discrete states representing respectively storm's slow, moderate, and rapid intensification (and deintensification). Each state is associated with a probability distribution of intensity change. The storm's movement from one state to another, regarded as a Markov chain, is described by a transition probability matrix. The initial state is estimated with a Bayesian approach. All three model components (initial intensity, state transition, and intensity change) are dependent on environmental variables including potential intensity, vertical wind shear, midlevel relative humidity, and ocean mixing characteristics. This dependent Markov model of hurricane intensity shows a significant improvement over previous statistical models (e.g., linear, nonlinear, and finite mixture models) in estimating the distributions of 6-h and 24-h intensity change, lifetime maximum intensity, and landfall intensity, etc. Here we compare MeHiM with various dynamical models, including a global climate model [High-Resolution Forecast-Oriented Low Ocean Resolution model (HiFLOR)], a regional hurricane model (Geophysical Fluid Dynamics Laboratory (GFDL) hurricane model), and a simplified hurricane dynamic model [Coupled Hurricane Intensity Prediction System (CHIPS)] and its newly developed fast simulator. The MeHiM developed based on the reanalysis data is applied to estimate the intensity of simulated storms to compare with the dynamical-model predictions under the current climate. The dependences of hurricanes on the environment under current and future projected climates in the various models will also be compared statistically.

A DNS study of turbulent mixing of two passive scalars

NASA Astrophysics Data System (ADS)

Juneja, A.; Pope, S. B.

1996-08-01

We employ direct numerical simulations to study the mixing of two passive scalars in stationary, homogeneous, isotropic turbulence. The present work is a direct extension of that of Eswaran and Pope from one scalar to two scalars and the focus is on examining the evolution states of the scalar joint probability density function (jpdf) and the conditional expectation of the scalar diffusion to motivate better models for multi-scalar mixing. The initial scalar fields are chosen to conform closely to a ``triple-delta function'' jpdf corresponding to blobs of fluid in three distinct states. The effect of the initial length scales and diffusivity of the scalars on the evolution of the jpdf and the conditional diffusion is investigated in detail as the scalars decay from their prescribed initial state. Also examined is the issue of self-similarity of the scalar jpdf at large times and the rate of decay of the scalar variance and dissipation.

Refining Markov state models for conformational dynamics using ensemble-averaged data and time-series trajectories

NASA Astrophysics Data System (ADS)

Matsunaga, Y.; Sugita, Y.

2018-06-01

A data-driven modeling scheme is proposed for conformational dynamics of biomolecules based on molecular dynamics (MD) simulations and experimental measurements. In this scheme, an initial Markov State Model (MSM) is constructed from MD simulation trajectories, and then, the MSM parameters are refined using experimental measurements through machine learning techniques. The second step can reduce the bias of MD simulation results due to inaccurate force-field parameters. Either time-series trajectories or ensemble-averaged data are available as a training data set in the scheme. Using a coarse-grained model of a dye-labeled polyproline-20, we compare the performance of machine learning estimations from the two types of training data sets. Machine learning from time-series data could provide the equilibrium populations of conformational states as well as their transition probabilities. It estimates hidden conformational states in more robust ways compared to that from ensemble-averaged data although there are limitations in estimating the transition probabilities between minor states. We discuss how to use the machine learning scheme for various experimental measurements including single-molecule time-series trajectories.

Simulator study of vortex encounters by a twin-engine, commercial, jet transport airplane

NASA Technical Reports Server (NTRS)

Hastings, E. C., Jr.; Keyser, G. L., Jr.

1982-01-01

A simulator study of vortex encounters was conducted for a twin-engine, commercial, jet transport airplane encountering the vortex flow field of a heavy, four-engine, commercial, jet transport airplane in the final-approach configuration. The encounters were conducted with fixed controls and with a pilot using a state-of-the-art, manual-control system. Piloted encounters with the base-line vortex flow field out of ground effect (unattenuated) resulted in initial bank-angle excursions greater than 40 deg, coupled with initial sideslip-angle excursions greater than 10 deg. The severity of these initial upsets was significantly reduced when the vortex center was moved laterally or vertically away from the flight path of the encountering airplane. Smaller reductions occurred when the flow field was attenuated by the flight spoilers on the generating airplane. The largest reduction in the severity of the initial upsets, however, was from aging in ground effect. The severity of the initial upsets of the following airplane was relatively unaffected by the approach speed. Increasing the lift coefficient of the generating airplane resulted in an increase in the severity of the initial upsets.

High Temperature Unfolding and Low Temperature Refolding Pathway of Chymotrypsin Inhibitor 2 Using Molecular Dynamics Simulation

NASA Astrophysics Data System (ADS)

Malau, N. D.; Sumaryada, T.

2016-01-01

The mechanism that explains the unfolding/refolding process of the protein is still a major problem that has not been fully understood. In this paper we present our study on the unfolding and refolding pathway of Chymotrypsin Inhibitor 2 (CI2) protein through a molecular dynamics simulation technique. The high temperature unfolding simulation were performed at 500 K for 35 ns. While the low temperature refolding simulation performed at 200 K for 35 ns. The unfolding and refolding pathway of protein were analysed by looking at the dynamics of root mean squared deviation (RMSD) and secondary structure profiles. The signatures of unfolding were observed from significant increase of RMSD within the time span of 10 ns to 35 ns. For the refolding process, the initial structure was prepared from the structure of unfolding protein at t=15 ns and T=500 K. Analysis have shown that some of the secondary structures of CI2 protein that have been damaged at high temperature can be refolded back to its initial structure at low temperature simulation. Our results suggest that most of α-helix structure of CI2 protein can be refolded back to its initial state, while only half beta-sheet structure can be reformed.

Improving Simulations of Fine Dust Surface Concentrations over the Western United States by Optimizing the Particle Size Distribution

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

Zhang, Li; Kok, Jasper F.; Henze, Daven

2013-06-28

To improve estimates of remote contributions of dust to fine particulate matter (PM2.5) in the western United States, new dust particle size distributions (PSDs) based upon scale-invariant fragmentation theory (Kok_PSD) with constraints from in situ measurements (IMP_PSD) are implemented in a chemical transport model (GEOS-Chem). Compared to initial simulations, this leads to reductions in the mass of emitted dust particles with radii <1.8 mm by 40%-60%. Consequently, the root-mean-square error in simulated fine dust concentrations compared to springtime surface observations in the western United States is reduced by 67%-81%. The ratio of simulated fine to coarse PM mass is alsomore » improved, which is not achievable by reductions in total dust emissions. The IMP_PSD best represents the PSD of dust transported from remote sources and reduces modeled PM2.5 concentrations up to 5 mg/m3 over the western United States, which is important when considering sources contributing to nonattainment of air quality standards. Citation: Zhang, L., J. F. Kok, D. K. Henze, Q. Li, and C. Zhao (2013), Improving simulations of fine dust surface concentrations over the western United States by optimizing the particle size distribution, Geophys. Res. Lett., 40, 3270-3275, doi:10.1002/grl.50591.« less

Numerical simulations of loop quantum Bianchi-I spacetimes

NASA Astrophysics Data System (ADS)

Diener, Peter; Joe, Anton; Megevand, Miguel; Singh, Parampreet

2017-05-01

Due to the numerical complexities of studying evolution in an anisotropic quantum spacetime, in comparison to the isotropic models, the physics of loop quantized anisotropic models has remained largely unexplored. In particular, robustness of bounce and the validity of effective dynamics have so far not been established. Our analysis fills these gaps for the case of vacuum Bianchi-I spacetime. To efficiently solve the quantum Hamiltonian constraint we perform an implementation of the Cactus framework which is conventionally used for applications in numerical relativity. Using high performance computing, numerical simulations for a large number of initial states with a wide variety of fluctuations are performed. Big bang singularity is found to be replaced by anisotropic bounces for all the cases. We find that for initial states which are sharply peaked at the late times in the classical regime and bounce at a mean volume much greater than the Planck volume, effective dynamics is an excellent approximation to the underlying quantum dynamics. Departures of the effective dynamics from the quantum evolution appear for the states probing deep Planck volumes. A detailed analysis of the behavior of this departure reveals a non-monotonic and subtle dependence on fluctuations of the initial states. We find that effective dynamics in almost all of the cases underestimates the volume and hence overestimates the curvature at the bounce, a result in synergy with earlier findings in the isotropic case. The expansion and shear scalars are found to be bounded throughout the evolution.

Dynamic load balance scheme for the DSMC algorithm

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

Li, Jin; Geng, Xiangren; Jiang, Dingwu

The direct simulation Monte Carlo (DSMC) algorithm, devised by Bird, has been used over a wide range of various rarified flow problems in the past 40 years. While the DSMC is suitable for the parallel implementation on powerful multi-processor architecture, it also introduces a large load imbalance across the processor array, even for small examples. The load imposed on a processor by a DSMC calculation is determined to a large extent by the total of simulator particles upon it. Since most flows are impulsively started with initial distribution of particles which is surely quite different from the steady state, themore » total of simulator particles will change dramatically. The load balance based upon an initial distribution of particles will break down as the steady state of flow is reached. The load imbalance and huge computational cost of DSMC has limited its application to rarefied or simple transitional flows. In this paper, by taking advantage of METIS, a software for partitioning unstructured graphs, and taking the total of simulator particles in each cell as a weight information, the repartitioning based upon the principle that each processor handles approximately the equal total of simulator particles has been achieved. The computation must pause several times to renew the total of simulator particles in each processor and repartition the whole domain again. Thus the load balance across the processors array holds in the duration of computation. The parallel efficiency can be improved effectively. The benchmark solution of a cylinder submerged in hypersonic flow has been simulated numerically. Besides, hypersonic flow past around a complex wing-body configuration has also been simulated. The results have displayed that, for both of cases, the computational time can be reduced by about 50%.« less

Frictional behavior of large displacement experimental faults

USGS Publications Warehouse

Beeler, N.M.; Tullis, T.E.; Blanpied, M.L.; Weeks, J.D.

1996-01-01

The coefficient of friction and velocity dependence of friction of initially bare surfaces and 1-mm-thick simulated fault gouges (400 mm at 25??C and 25 MPa normal stress. Steady state negative friction velocity dependence and a steady state fault zone microstructure are achieved after ???18 mm displacement, and an approximately constant strength is reached after a few tens of millimeters of sliding on initially bare surfaces. Simulated fault gouges show a large but systematic variation of friction, velocity dependence of friction, dilatancy, and degree of localization with displacement. At short displacement (<10 mm), simulated gouge is strong, velocity strengthening and changes in sliding velocity are accompanied by relatively large changes in dilatancy rate. With continued displacement, simulated gouges become progressively weaker and less velocity strengthening, the velocity dependence of dilatancy rate decreases, and deformation becomes localized into a narrow basal shear which at its most localized is observed to be velocity weakening. With subsequent displacement, the fault restrengthens, returns to velocity strengthening, or to velocity neutral, the velocity dependence of dilatancy rate becomes larger, and deformation becomes distributed. Correlation of friction, velocity dependence of friction and of dilatancy rate, and degree of localization at all displacements in simulated gouge suggest that all quantities are interrelated. The observations do not distinguish the independent variables but suggest that the degree of localization is controlled by the fault strength, not by the friction velocity dependence. The friction velocity dependence and velocity dependence of dilatancy rate can be used as qualitative measures of the degree of localization in simulated gouge, in agreement with previous studies. Theory equating the friction velocity dependence of simulated gouge to the sum of the friction velocity dependence of bare surfaces and the velocity dependence of dilatancy rate of simulated gouge fails to quantitatively account for the experimental observations.

Parameter optimization on the convergence surface of path simulations

NASA Astrophysics Data System (ADS)

Chandrasekaran, Srinivas Niranj

Computational treatments of protein conformational changes tend to focus on the trajectories themselves, despite the fact that it is the transition state structures that contain information about the barriers that impose multi-state behavior. PATH is an algorithm that computes a transition pathway between two protein crystal structures, along with the transition state structure, by minimizing the Onsager-Machlup action functional. It is rapid but depends on several unknown input parameters whose range of different values can potentially generate different transition-state structures. Transition-state structures arising from different input parameters cannot be uniquely compared with those generated by other methods. I outline modifications that I have made to the PATH algorithm that estimates these input parameters in a manner that circumvents these difficulties, and describe two complementary tests that validate the transition-state structures found by the PATH algorithm. First, I show that although the PATH algorithm and two other approaches to computing transition pathways produce different low-energy structures connecting the initial and final ground-states with the transition state, all three methods agree closely on the configurations of their transition states. Second, I show that the PATH transition states are close to the saddle points of free-energy surfaces connecting initial and final states generated by replica-exchange Discrete Molecular Dynamics simulations. I show that aromatic side-chain rearrangements create similar potential energy barriers in the transition-state structures identified by PATH for a signaling protein, a contractile protein, and an enzyme. Finally, I observed, but cannot account for, the fact that trajectories obtained for all-atom and Calpha-only simulations identify transition state structures in which the Calpha atoms are in essentially the same positions. The consistency between transition-state structures derived by different algorithms for unrelated protein systems argues that although functionally important protein conformational change trajectories are to a degree stochastic, they nonetheless pass through a well-defined transition state whose detailed structural properties can rapidly be identified using PATH. In the end, I outline the strategies that could enhance the efficiency and applicability of PATH.

Simulation of an epidemic model with vector transmission

NASA Astrophysics Data System (ADS)

Dickman, Adriana G.; Dickman, Ronald

2015-03-01

We study a lattice model for vector-mediated transmission of a disease in a population consisting of two species, A and B, which contract the disease from one another. Individuals of species A are sedentary, while those of species B (the vector) diffuse in space. Examples of such diseases are malaria, dengue fever, and Pierce's disease in vineyards. The model exhibits a phase transition between an absorbing (infection free) phase and an active one as parameters such as infection rates and vector density are varied. We study the static and dynamic critical behavior of the model using initial spreading, initial decay, and quasistationary simulations. Simulations are checked against mean-field analysis. Although phase transitions to an absorbing state fall generically in the directed percolation universality class, this appears not to be the case for the present model.

Numerical simulation of nonstationary dissipative structures in 3D double-diffusive convection at large Rayleigh numbers

NASA Astrophysics Data System (ADS)

Kozitskiy, Sergey

2018-06-01

Numerical simulation of nonstationary dissipative structures in 3D double-diffusive convection has been performed by using the previously derived system of complex Ginzburg-Landau type amplitude equations, valid in a neighborhood of Hopf bifurcation points. Simulation has shown that the state of spatiotemporal chaos develops in the system. It has the form of nonstationary structures that depend on the parameters of the system. The shape of structures does not depend on the initial conditions, and a limited number of spectral components participate in their formation.

Numerical simulation study on the distribution law of smoke flow velocity in horizontal tunnel fire

NASA Astrophysics Data System (ADS)

Liu, Yejiao; Tian, Zhichao; Xue, Junhua; Wang, Wencai

2018-02-01

According to the fluid similarity theory, the simulation experiment system of mining tunnel fire is established. The grid division of experimental model roadway is carried on by GAMBIT software. By setting the boundary and initial conditions of smoke flow during fire period in FLUENT software, using RNG k-Ɛ two-equation turbulence model, energy equation and SIMPLE algorithm, the steady state numerical simulation of smoke flow velocity in mining tunnel is done to obtain the distribution law of smoke flow velocity in tunnel during fire period.

Numerical simulation of nonstationary dissipative structures in 3D double-diffusive convection at large Rayleigh numbers

NASA Astrophysics Data System (ADS)

Kozitskiy, Sergey

2018-05-01

Numerical simulation of nonstationary dissipative structures in 3D double-diffusive convection has been performed by using the previously derived system of complex Ginzburg-Landau type amplitude equations, valid in a neighborhood of Hopf bifurcation points. Simulation has shown that the state of spatiotemporal chaos develops in the system. It has the form of nonstationary structures that depend on the parameters of the system. The shape of structures does not depend on the initial conditions, and a limited number of spectral components participate in their formation.

Heavy Quark Correlations and J / Φ Production in Heavy Ion Collisions

NASA Astrophysics Data System (ADS)

Niazi, Reza; Liu, Yunpeng; Ko, Che-Ming

2014-09-01

Quark Gluon Plasma (QGP), a phase of QCD matter, was the temporary state that all matter had in the universe microseconds after its creation, which has been produced in high energy nucleus-nucleus collisions at the Relativistic Heavy Ion Collider (RHIC) and the Large Hadron Collider (LHC). Normally being bound inside a proton or neutron, due to the strong nuclear force, the QGP is a hot ``soup'' of quarks and gluons that move relatively freely. QGP is still a very enigmatic state of matter; therefore, active work is being done in trying to understand what is left behind after this short-lived state of matter disintegrates. This includes the abundance of the charmonium meson that consists of a pair of heavy charm and anticharm quarks. In this study, a QGP simulation called the Parton Cascade Model is used with two different initial conditions to see if charm and anticharm quarks can create a charmonium meson in the expanding QGP. In the simulation, the charm quark pair is initially either correlated, with opposite momenta but same position, or uncorrelated, with random momenta and positions, within the QGP. Understanding the difference of the amount of charmonium mesons produced in these two conditions will be helpful in developing theoretical models for charmonium production in heavy ion collisions and thus determining the properties of QGP from experimental measurements. Quark Gluon Plasma (QGP), a phase of QCD matter, was the temporary state that all matter had in the universe microseconds after its creation, which has been produced in high energy nucleus-nucleus collisions at the Relativistic Heavy Ion Collider (RHIC) and the Large Hadron Collider (LHC). Normally being bound inside a proton or neutron, due to the strong nuclear force, the QGP is a hot ``soup'' of quarks and gluons that move relatively freely. QGP is still a very enigmatic state of matter; therefore, active work is being done in trying to understand what is left behind after this short-lived state of matter disintegrates. This includes the abundance of the charmonium meson that consists of a pair of heavy charm and anticharm quarks. In this study, a QGP simulation called the Parton Cascade Model is used with two different initial conditions to see if charm and anticharm quarks can create a charmonium meson in the expanding QGP. In the simulation, the charm quark pair is initially either correlated, with opposite momenta but same position, or uncorrelated, with random momenta and positions, within the QGP. Understanding the difference of the amount of charmonium mesons produced in these two conditions will be helpful in developing theoretical models for charmonium production in heavy ion collisions and thus determining the properties of QGP from experimental measurements. Funded by DOE and NSF-REU Program.

Optimization of Biomathematical Model Predictions for Cognitive Performance Impairment in Individuals: Accounting for Unknown Traits and Uncertain States in Homeostatic and Circadian Processes

PubMed Central

Van Dongen, Hans P. A.; Mott, Christopher G.; Huang, Jen-Kuang; Mollicone, Daniel J.; McKenzie, Frederic D.; Dinges, David F.

2007-01-01

Current biomathematical models of fatigue and performance do not accurately predict cognitive performance for individuals with a priori unknown degrees of trait vulnerability to sleep loss, do not predict performance reliably when initial conditions are uncertain, and do not yield statistically valid estimates of prediction accuracy. These limitations diminish their usefulness for predicting the performance of individuals in operational environments. To overcome these 3 limitations, a novel modeling approach was developed, based on the expansion of a statistical technique called Bayesian forecasting. The expanded Bayesian forecasting procedure was implemented in the two-process model of sleep regulation, which has been used to predict performance on the basis of the combination of a sleep homeostatic process and a circadian process. Employing the two-process model with the Bayesian forecasting procedure to predict performance for individual subjects in the face of unknown traits and uncertain states entailed subject-specific optimization of 3 trait parameters (homeostatic build-up rate, circadian amplitude, and basal performance level) and 2 initial state parameters (initial homeostatic state and circadian phase angle). Prior information about the distribution of the trait parameters in the population at large was extracted from psychomotor vigilance test (PVT) performance measurements in 10 subjects who had participated in a laboratory experiment with 88 h of total sleep deprivation. The PVT performance data of 3 additional subjects in this experiment were set aside beforehand for use in prospective computer simulations. The simulations involved updating the subject-specific model parameters every time the next performance measurement became available, and then predicting performance 24 h ahead. Comparison of the predictions to the subjects' actual data revealed that as more data became available for the individuals at hand, the performance predictions became increasingly more accurate and had progressively smaller 95% confidence intervals, as the model parameters converged efficiently to those that best characterized each individual. Even when more challenging simulations were run (mimicking a change in the initial homeostatic state; simulating the data to be sparse), the predictions were still considerably more accurate than would have been achieved by the two-process model alone. Although the work described here is still limited to periods of consolidated wakefulness with stable circadian rhythms, the results obtained thus far indicate that the Bayesian forecasting procedure can successfully overcome some of the major outstanding challenges for biomathematical prediction of cognitive performance in operational settings. Citation: Van Dongen HPA; Mott CG; Huang JK; Mollicone DJ; McKenzie FD; Dinges DF. Optimization of biomathematical model predictions for cognitive performance impairment in individuals: accounting for unknown traits and uncertain states in homeostatic and circadian processes. SLEEP 2007;30(9):1129-1143. PMID:17910385

Should tsunami models use a nonzero initial condition for horizontal velocity?

NASA Astrophysics Data System (ADS)

Nava, G.; Lotto, G. C.; Dunham, E. M.

2017-12-01

Tsunami propagation in the open ocean is most commonly modeled by solving the shallow water wave equations. These equations require two initial conditions: one on sea surface height and another on depth-averaged horizontal particle velocity or, equivalently, horizontal momentum. While most modelers assume that initial velocity is zero, Y.T. Song and collaborators have argued for nonzero initial velocity, claiming that horizontal displacement of a sloping seafloor imparts significant horizontal momentum to the ocean. They show examples in which this effect increases the resulting tsunami height by a factor of two or more relative to models in which initial velocity is zero. We test this claim with a "full-physics" integrated dynamic rupture and tsunami model that couples the elastic response of the Earth to the linearized acoustic-gravitational response of a compressible ocean with gravity; the model self-consistently accounts for seismic waves in the solid Earth, acoustic waves in the ocean, and tsunamis (with dispersion at short wavelengths). We run several full-physics simulations of subduction zone megathrust ruptures and tsunamis in geometries with a sloping seafloor, using both idealized structures and a more realistic Tohoku structure. Substantial horizontal momentum is imparted to the ocean, but almost all momentum is carried away in the form of ocean acoustic waves. We compare tsunami propagation in each full-physics simulation to that predicted by an equivalent shallow water wave simulation with varying assumptions regarding initial conditions. We find that the initial horizontal velocity conditions proposed by Song and collaborators consistently overestimate the tsunami amplitude and predict an inconsistent wave profile. Finally, we determine tsunami initial conditions that are rigorously consistent with our full-physics simulations by isolating the tsunami waves (from ocean acoustic and seismic waves) at some final time, and backpropagating the tsunami waves to their initial state by solving the adjoint problem. The resulting initial conditions have negligible horizontal velocity.

Simulations of Shock Wave Interaction with a Particle Cloud

NASA Astrophysics Data System (ADS)

Koneru, Rahul; Rollin, Bertrand; Ouellet, Frederick; Annamalai, Subramanian; Balachandar, S.'Bala'

2016-11-01

Simulations of a shock wave interacting with a cloud of particles are performed in an attempt to understand similar phenomena observed in dispersal of solid particles under such extreme environment as an explosion. We conduct numerical experiments in which a particle curtain fills only 87% of the shock tube from bottom to top. As such, the particle curtain upon interaction with the shock wave is expected to experience Kelvin-Helmholtz (KH) and Richtmyer-Meshkov (RM) instabilities. In this study, the initial volume fraction profile matches with that of Sandia Multiphase Shock Tube experiments, and the shock Mach number is limited to M =1.66. In these simulations we use a Eulerian-Lagrangian approach along with state-of-the-art point-particle force and heat transfer models. Measurements of particle dispersion are made at different initial volume fractions of the particle cloud. A detailed analysis of the evolution of the particle curtain with respect to the initial conditions is presented. This work was supported by the U.S. Department of Energy, National Nuclear Security Administration, Advanced Simulation and Computing Program, as a Cooperative Agreement under the Predictive Science Academic Alliance Program, Contract No. DE-NA0002378.

Quasi steady-state aerodynamic model development for race vehicle simulations

NASA Astrophysics Data System (ADS)

Mohrfeld-Halterman, J. A.; Uddin, M.

2016-01-01

Presented in this paper is a procedure to develop a high fidelity quasi steady-state aerodynamic model for use in race car vehicle dynamic simulations. Developed to fit quasi steady-state wind tunnel data, the aerodynamic model is regressed against three independent variables: front ground clearance, rear ride height, and yaw angle. An initial dual range model is presented and then further refined to reduce the model complexity while maintaining a high level of predictive accuracy. The model complexity reduction decreases the required amount of wind tunnel data thereby reducing wind tunnel testing time and cost. The quasi steady-state aerodynamic model for the pitch moment degree of freedom is systematically developed in this paper. This same procedure can be extended to the other five aerodynamic degrees of freedom to develop a complete six degree of freedom quasi steady-state aerodynamic model for any vehicle.

Resistive MHD Simulation of Quasi-Single-Helicity State on KTX

NASA Astrophysics Data System (ADS)

Luo, Bing; Zhu, Ping; Li, Hong; Liu, Wandong

2016-10-01

The potential formation of quasi-single-helicity (QSH) state on Keda Torus eXperiment (KTX) is evaluated in resistive MHD simulations using the NIMROD code. In this work, we focus on the effects of finite resistivity on the mode structure and characteristics of the dominant linear and nonlinear resistive tearing-mode instability in a finite β, cylindrical reversed field pinch model configuration for KTX. In the typical resistivity regimes of KTX where Lundquist number S =105 , the plasma reaches a steady QSH state after the initial transient phase of multiple helicities. The dominat mode of the QSH state is developed from the dominat linear tearing mode instability. The conditions for and the variations of the formation of QSH states in different resistivity regimes of KTX will be reported and discussed. Supported by National Magnetic Confinement Fusion Science Program of China Grant Nos. 2014GB124002, 2015GB101004, 2011GB106000, and 2011GB106003.

Transient spatiotemporal chaos in the Morris-Lecar neuronal ring network.

PubMed

Keplinger, Keegan; Wackerbauer, Renate

2014-03-01

Transient behavior is thought to play an integral role in brain functionality. Numerical simulations of the firing activity of diffusively coupled, excitable Morris-Lecar neurons reveal transient spatiotemporal chaos in the parameter regime below the saddle-node on invariant circle bifurcation point. The neighborhood of the chaotic saddle is reached through perturbations of the rest state, in which few initially active neurons at an effective spatial distance can initiate spatiotemporal chaos. The system escapes from the neighborhood of the chaotic saddle to either the rest state or to a state of pulse propagation. The lifetime of the chaotic transients is manipulated in a statistical sense through a singular application of a synchronous perturbation to a group of neurons.

Minimal gain marching schemes: searching for unstable steady-states with unsteady solvers

NASA Astrophysics Data System (ADS)

de S. Teixeira, Renan; S. de B. Alves, Leonardo

2017-12-01

Reference solutions are important in several applications. They are used as base states in linear stability analyses as well as initial conditions and reference states for sponge zones in numerical simulations, just to name a few examples. Their accuracy is also paramount in both fields, leading to more reliable analyses and efficient simulations, respectively. Hence, steady-states usually make the best reference solutions. Unfortunately, standard marching schemes utilized for accurate unsteady simulations almost never reach steady-states of unstable flows. Steady governing equations could be solved instead, by employing Newton-type methods often coupled with continuation techniques. However, such iterative approaches do require large computational resources and very good initial guesses to converge. These difficulties motivated the development of a technique known as selective frequency damping (SFD) (Åkervik et al. in Phys Fluids 18(6):068102, 2006). It adds a source term to the unsteady governing equations that filters out the unstable frequencies, allowing a steady-state to be reached. This approach does not require a good initial condition and works well for self-excited flows, where a single nonzero excitation frequency is selected by either absolute or global instability mechanisms. On the other hand, it seems unable to damp stationary disturbances. Furthermore, flows with a broad unstable frequency spectrum might require the use of multiple filters, which delays convergence significantly. Both scenarios appear in convectively, absolutely or globally unstable flows. An alternative approach is proposed in the present paper. It modifies the coefficients of a marching scheme in such a way that makes the absolute value of its linear gain smaller than one within the required unstable frequency spectra, allowing the respective disturbance amplitudes to decay given enough time. These ideas are applied here to implicit multi-step schemes. A few chosen test cases shows that they enable convergence toward solutions that are unstable to stationary and oscillatory disturbances, with either a single or multiple frequency content. Finally, comparisons with SFD are also performed, showing significant reduction in computer cost for complex flows by using the implicit multi-step MGM schemes.

Measurement and reactive burn modeling of the shock to detonation transition for the HMX based explosive LX-14

NASA Astrophysics Data System (ADS)

Jones, J. D.; Ma, Xia; Clements, B. E.; Gibson, L. L.; Gustavsen, R. L.

2017-06-01

Gas-gun driven plate-impact techniques were used to study the shock to detonation transition in LX-14 (95.5 weight % HMX, 4.5 weight % estane binder). The transition was recorded using embedded electromagnetic particle velocity gauges. Initial shock pressures, P, ranged from 2.5 to 8 GPa and the resulting distances to detonation, xD, were in the range 1.9 to 14 mm. Numerical simulations using the SURF reactive burn scheme coupled with a linear US -up / Mie-Grueneisen equation of state for the reactant and a JWL equation of state for the products, match the experimental data well. Comparison of simulation with experiment as well as the ``best fit'' parameter set for the simulations is presented.

Devising novel strategies against vector mosquitoes and house flies

USDA-ARS?s Scientific Manuscript database

In 1932, the United States Department of Agriculture established an entomological research laboratory in Orlando, Florida. The initial focus of the program was on investigations of mosquitoes (including malaria vectors under conditions “simulating those of South Pacific jungles”) and other insects ...

Utilization of VAS satellite data in the initialization of an oceanic cyclogenesis simulation

NASA Technical Reports Server (NTRS)

Douglas, Sharon G.; Warner, Thomas T.

1987-01-01

A series of experiments was performed to test various methods of incorporating Visible Infrared Spin Scan Radiometer Atmospheric Sounder (VAS)-sounding data into the initial conditions of the Penn State University/National Center for Atmospheric mesoscale model. The VAS data for this ocean-cyclogenesis case consist of 110 irregularly distributed temperature and humidity soundings located over the North Pacific Ocean and apply at approximately 1200 GMT November 10, 1981. Various methods of utilizing VAS data in the initial condition of a mesoscale model were evaluated.

Utilization of VAS satellite data in the initialization of an oceanic-cyclogenesis simulation

NASA Technical Reports Server (NTRS)

Douglas, Sharon G.; Warner, Thomas T.

1986-01-01

A series of experiments was performed to test various method of incorporating Visible Infrared Spin Scan Radiometer Atmospheric Sounder (VAS)-sounding data into the initial conditions of the Penn State University/National Center for Atmospheric mesoscale model. The VAS data for this ocean-cyclogenesis case consist of 110 irregularly distributed temperature and humidity soundings located over the North Pacific Ocean and apply at approximately 1200 GMT 10 November 1981. Various methods of utilizing VAS data in the initial condition of a mesoscale model were evaluated.

A continuum model of transcriptional bursting

PubMed Central

Corrigan, Adam M; Tunnacliffe, Edward; Cannon, Danielle; Chubb, Jonathan R

2016-01-01

Transcription occurs in stochastic bursts. Early models based upon RNA hybridisation studies suggest bursting dynamics arise from alternating inactive and permissive states. Here we investigate bursting mechanism in live cells by quantitative imaging of actin gene transcription, combined with molecular genetics, stochastic simulation and probabilistic modelling. In contrast to early models, our data indicate a continuum of transcriptional states, with a slowly fluctuating initiation rate converting the gene between different levels of activity, interspersed with extended periods of inactivity. We place an upper limit of 40 s on the lifetime of fluctuations in elongation rate, with initiation rate variations persisting an order of magnitude longer. TATA mutations reduce the accessibility of high activity states, leaving the lifetime of on- and off-states unchanged. A continuum or spectrum of gene states potentially enables a wide dynamic range for cell responses to stimuli. DOI: http://dx.doi.org/10.7554/eLife.13051.001 PMID:26896676

Experimental Adiabatic Quantum Factorization under Ambient Conditions Based on a Solid-State Single Spin System.

PubMed

Xu, Kebiao; Xie, Tianyu; Li, Zhaokai; Xu, Xiangkun; Wang, Mengqi; Ye, Xiangyu; Kong, Fei; Geng, Jianpei; Duan, Changkui; Shi, Fazhan; Du, Jiangfeng

2017-03-31

The adiabatic quantum computation is a universal and robust method of quantum computing. In this architecture, the problem can be solved by adiabatically evolving the quantum processor from the ground state of a simple initial Hamiltonian to that of a final one, which encodes the solution of the problem. Adiabatic quantum computation has been proved to be a compatible candidate for scalable quantum computation. In this Letter, we report on the experimental realization of an adiabatic quantum algorithm on a single solid spin system under ambient conditions. All elements of adiabatic quantum computation, including initial state preparation, adiabatic evolution (simulated by optimal control), and final state read-out, are realized experimentally. As an example, we found the ground state of the problem Hamiltonian S_{z}I_{z} on our adiabatic quantum processor, which can be mapped to the factorization of 35 into its prime factors 5 and 7.

Experimental Adiabatic Quantum Factorization under Ambient Conditions Based on a Solid-State Single Spin System

NASA Astrophysics Data System (ADS)

Xu, Kebiao; Xie, Tianyu; Li, Zhaokai; Xu, Xiangkun; Wang, Mengqi; Ye, Xiangyu; Kong, Fei; Geng, Jianpei; Duan, Changkui; Shi, Fazhan; Du, Jiangfeng

2017-03-01

The adiabatic quantum computation is a universal and robust method of quantum computing. In this architecture, the problem can be solved by adiabatically evolving the quantum processor from the ground state of a simple initial Hamiltonian to that of a final one, which encodes the solution of the problem. Adiabatic quantum computation has been proved to be a compatible candidate for scalable quantum computation. In this Letter, we report on the experimental realization of an adiabatic quantum algorithm on a single solid spin system under ambient conditions. All elements of adiabatic quantum computation, including initial state preparation, adiabatic evolution (simulated by optimal control), and final state read-out, are realized experimentally. As an example, we found the ground state of the problem Hamiltonian SzIz on our adiabatic quantum processor, which can be mapped to the factorization of 35 into its prime factors 5 and 7.

Multiplicity fluctuations and collective flow in small colliding systems

NASA Astrophysics Data System (ADS)

Kawaguchi, Koji; Murase, Koichi; Hirano, Tetsufumi

2017-11-01

Recent observation of collective-flow-like behaviours in small colliding systems attracts significant theoretical and experimental interests. In large colliding systems, large collective flow has been interpreted as manifestation of almost-perfect fluidity of the quark gluon plasma (QGP). So it is quite intriguing to explore how small the QGP can be as a fluid. Multiplicity fluctuations play a crucial role in centrality definition of the events in small colliding systems since the fluctuations are, in general, more important as the system size is getting smaller. To consider the correct multiplicity fluctuations, we employ PYTHIA which naturally describes multiplicity distribution in p+p collisions. We superpose p+p collisions by taking into account the number of participants and that of binary collisions from Monte-Carlo version of Glauber model and evaluate initial entropy density distributions which contain not only multiplicity fluctuations but also fluctuations of longitudinal profiles. Solving hydrodynamic equations followed by the hadronic afterburner, we calculate transverse momentum spectra, elliptic and triangular flow parameters in p+Au, d+Au and 3He+Au collisions at the RHIC energy and p+Pb collisions at the LHC energy. Although a large fraction of final anisotropic flow parameters comes from the fluid-dynamical stage, the effects of hadronic rescatterings turn out to be also important as well in understanding of the flow data in small colliding systems.

Role of Tryptophan Side Chain Dynamics on the Trp-Cage Mini-Protein Folding Studied by Molecular Dynamics Simulations

PubMed Central

Kannan, Srinivasaraghavan; Zacharias, Martin

2014-01-01

The 20 residue Trp-cage mini-protein is one of smallest proteins that adopt a stable folded structure containing also well-defined secondary structure elements. The hydrophobic core is arranged around a single central Trp residue. Despite several experimental and simulation studies the detailed folding mechanism of the Trp-cage protein is still not completely understood. Starting from fully extended as well as from partially folded Trp-cage structures a series of molecular dynamics simulations in explicit solvent and using four different force fields was performed. All simulations resulted in rapid collapse of the protein to on average relatively compact states. The simulations indicate a significant dependence of the speed of folding to near-native states on the side chain rotamer state of the central Trp residue. Whereas the majority of intermediate start structures with the central Trp side chain in a near-native rotameric state folded successfully within less than 100 ns only a fraction of start structures reached near-native folded states with an initially non-native Trp side chain rotamer state. Weak restraining of the Trp side chain dihedral angles to the state in the folded protein resulted in significant acceleration of the folding both starting from fully extended or intermediate conformations. The results indicate that the side chain conformation of the central Trp residue can create a significant barrier for controlling transitions to a near native folded structure. Similar mechanisms might be of importance for the folding of other protein structures. PMID:24563686

Simulating spontaneous aseismic and seismic slip events on evolving faults

NASA Astrophysics Data System (ADS)

Herrendörfer, Robert; van Dinther, Ylona; Pranger, Casper; Gerya, Taras

2017-04-01

Plate motion along tectonic boundaries is accommodated by different slip modes: steady creep, seismic slip and slow slip transients. Due to mainly indirect observations and difficulties to scale results from laboratory experiments to nature, it remains enigmatic which fault conditions favour certain slip modes. Therefore, we are developing a numerical modelling approach that is capable of simulating different slip modes together with the long-term fault evolution in a large-scale tectonic setting. We extend the 2D, continuum mechanics-based, visco-elasto-plastic thermo-mechanical model that was designed to simulate slip transients in large-scale geodynamic simulations (van Dinther et al., JGR, 2013). We improve the numerical approach to accurately treat the non-linear problem of plasticity (see also EGU 2017 abstract by Pranger et al.). To resolve a wide slip rate spectrum on evolving faults, we develop an invariant reformulation of the conventional rate-and-state dependent friction (RSF) and adapt the time step (Lapusta et al., JGR, 2000). A crucial part of this development is a conceptual ductile fault zone model that relates slip rates along discrete planes to the effective macroscopic plastic strain rates in the continuum. We test our implementation first in a simple 2D setup with a single fault zone that has a predefined initial thickness. Results show that deformation localizes in case of steady creep and for very slow slip transients to a bell-shaped strain rate profile across the fault zone, which suggests that a length scale across the fault zone may exist. This continuum length scale would overcome the common mesh-dependency in plasticity simulations and question the conventional treatment of aseismic slip on infinitely thin fault zones. We test the introduction of a diffusion term (similar to the damage description in Lyakhovsky et al., JMPS, 2011) into the state evolution equation and its effect on (de-)localization during faster slip events. We compare the slip spectrum in our simulations to conventional RSF simulations (Liu and Rice, JGR, 2007). We further demonstrate the capability of simulating the evolution of a fault zone and simultaneous occurrence of slip transients. From small random initial distributions of the state variable in an otherwise homogeneous medium, deformation localizes and forms curved zones of reduced states. These spontaneously formed fault zones host slip transients, which in turn contribute to the growth of the fault zone.

Evaluation of Fracture Initiation in the Mannesmann Piercing Process

NASA Astrophysics Data System (ADS)

Fanini, S.; Ghiotti, A.; Bruschi, S.

2007-04-01

One of the challenging objectives in studying the Mannesmann piercing process is to predict the fracture initiation, known as "Mannesmann effect", in order to design and optimize the working parameters of the piercing process. The objective of the paper is to investigate the workability of a tube steel tested in the same conditions of the Mannesman piercing process. The stress and strain states as well as temperature fields arising during the process are identified through numerical simulations. The hot tensile test is chosen for fundamental studies on fracture initiation, as a tensile state of stress in the centre of the billet in the first stages of the piercing process before the plug arrival seems to be one of the main causes of the crack initiation. The material constants of energy-based models implemented in FEM codes are calculated and numerical results are compared with non-plug piercing tests carried out on the industrial plant.

Fluctuation Flooding Method (FFM) for accelerating conformational transitions of proteins.

PubMed

Harada, Ryuhei; Takano, Yu; Shigeta, Yasuteru

2014-03-28

A powerful conformational sampling method for accelerating structural transitions of proteins, "Fluctuation Flooding Method (FFM)," is proposed. In FFM, cycles of the following steps enhance the transitions: (i) extractions of largely fluctuating snapshots along anisotropic modes obtained from trajectories of multiple independent molecular dynamics (MD) simulations and (ii) conformational re-sampling of the snapshots via re-generations of initial velocities when re-starting MD simulations. In an application to bacteriophage T4 lysozyme, FFM successfully accelerated the open-closed transition with the 6 ns simulation starting solely from the open state, although the 1-μs canonical MD simulation failed to sample such a rare event.

Fluctuation Flooding Method (FFM) for accelerating conformational transitions of proteins

NASA Astrophysics Data System (ADS)

Harada, Ryuhei; Takano, Yu; Shigeta, Yasuteru

2014-03-01

A powerful conformational sampling method for accelerating structural transitions of proteins, "Fluctuation Flooding Method (FFM)," is proposed. In FFM, cycles of the following steps enhance the transitions: (i) extractions of largely fluctuating snapshots along anisotropic modes obtained from trajectories of multiple independent molecular dynamics (MD) simulations and (ii) conformational re-sampling of the snapshots via re-generations of initial velocities when re-starting MD simulations. In an application to bacteriophage T4 lysozyme, FFM successfully accelerated the open-closed transition with the 6 ns simulation starting solely from the open state, although the 1-μs canonical MD simulation failed to sample such a rare event.

PICsar: Particle in cell pulsar magnetosphere simulator

NASA Astrophysics Data System (ADS)

Belyaev, Mikhail A.

2016-07-01

PICsar simulates the magnetosphere of an aligned axisymmetric pulsar and can be used to simulate other arbitrary electromagnetics problems in axisymmetry. Written in Fortran, this special relativistic, electromagnetic, charge conservative particle in cell code features stretchable body-fitted coordinates that follow the surface of a sphere, simplifying the application of boundary conditions in the case of the aligned pulsar; a radiation absorbing outer boundary, which allows a steady state to be set up dynamically and maintained indefinitely from transient initial conditions; and algorithms for injection of charged particles into the simulation domain. PICsar is parallelized using MPI and has been used on research problems with 1000 CPUs.

Identification of Distinct Conformations of the Angiotensin-II Type 1 Receptor Associated with the Gq/11 Protein Pathway and the β-Arrestin Pathway Using Molecular Dynamics Simulations.

PubMed

Cabana, Jérôme; Holleran, Brian; Leduc, Richard; Escher, Emanuel; Guillemette, Gaétan; Lavigne, Pierre

2015-06-19

Biased signaling represents the ability of G protein-coupled receptors to engage distinct pathways with various efficacies depending on the ligand used or on mutations in the receptor. The angiotensin-II type 1 (AT1) receptor, a prototypical class A G protein-coupled receptor, can activate various effectors upon stimulation with the endogenous ligand angiotensin-II (AngII), including the Gq/11 protein and β-arrestins. It is believed that the activation of those two pathways can be associated with distinct conformations of the AT1 receptor. To verify this hypothesis, microseconds of molecular dynamics simulations were computed to explore the conformational landscape sampled by the WT-AT1 receptor, the N111G-AT1 receptor (constitutively active and biased for the Gq/11 pathway), and the D74N-AT1 receptor (biased for the β-arrestin1 and -2 pathways) in their apo-forms and in complex with AngII. The molecular dynamics simulations of the AngII-WT-AT1, N111G-AT1, and AngII-N111G-AT1 receptors revealed specific structural rearrangements compared with the initial and ground state of the receptor. Simulations of the D74N-AT1 receptor revealed that the mutation stabilizes the receptor in the initial ground state. The presence of AngII further stabilized the ground state of the D74N-AT1 receptor. The biased agonist [Sar(1),Ile(8)]AngII also showed a preference for the ground state of the WT-AT1 receptor compared with AngII. These results suggest that activation of the Gq/11 pathway is associated with a specific conformational transition stabilized by the agonist, whereas the activation of the β-arrestin pathway is linked to the stabilization of the ground state of the receptor. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

Identification of Distinct Conformations of the Angiotensin-II Type 1 Receptor Associated with the Gq/11 Protein Pathway and the β-Arrestin Pathway Using Molecular Dynamics Simulations*

PubMed Central

Cabana, Jérôme; Holleran, Brian; Leduc, Richard; Escher, Emanuel; Guillemette, Gaétan; Lavigne, Pierre

2015-01-01

Biased signaling represents the ability of G protein-coupled receptors to engage distinct pathways with various efficacies depending on the ligand used or on mutations in the receptor. The angiotensin-II type 1 (AT1) receptor, a prototypical class A G protein-coupled receptor, can activate various effectors upon stimulation with the endogenous ligand angiotensin-II (AngII), including the Gq/11 protein and β-arrestins. It is believed that the activation of those two pathways can be associated with distinct conformations of the AT1 receptor. To verify this hypothesis, microseconds of molecular dynamics simulations were computed to explore the conformational landscape sampled by the WT-AT1 receptor, the N111G-AT1 receptor (constitutively active and biased for the Gq/11 pathway), and the D74N-AT1 receptor (biased for the β-arrestin1 and -2 pathways) in their apo-forms and in complex with AngII. The molecular dynamics simulations of the AngII-WT-AT1, N111G-AT1, and AngII-N111G-AT1 receptors revealed specific structural rearrangements compared with the initial and ground state of the receptor. Simulations of the D74N-AT1 receptor revealed that the mutation stabilizes the receptor in the initial ground state. The presence of AngII further stabilized the ground state of the D74N-AT1 receptor. The biased agonist [Sar1,Ile8]AngII also showed a preference for the ground state of the WT-AT1 receptor compared with AngII. These results suggest that activation of the Gq/11 pathway is associated with a specific conformational transition stabilized by the agonist, whereas the activation of the β-arrestin pathway is linked to the stabilization of the ground state of the receptor. PMID:25934394

Combustor liner durability analysis

NASA Technical Reports Server (NTRS)

Moreno, V.

1981-01-01

An 18 month combustor liner durability analysis program was conducted to evaluate the use of advanced three dimensional transient heat transfer and nonlinear stress-strain analyses for modeling the cyclic thermomechanical response of a simulated combustor liner specimen. Cyclic life prediction technology for creep/fatigue interaction is evaluated for a variety of state-of-the-art tools for crack initiation and propagation. The sensitivity of the initiation models to a change in the operating conditions is also assessed.

Ab initio metadynamics simulations of oxygen/ligand interactions in organoaluminum clusters

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

Alnemrat, Sufian; Hooper, Joseph P., E-mail: jphooper@nps.edu

2014-10-14

Car-Parrinello molecular dynamics combined with a metadynamics algorithm is used to study the initial interaction of O{sub 2} with the low-valence organoaluminum clusters Al{sub 4}Cp{sub 4} (Cp=C{sub 5}H{sub 5}) and Al{sub 4}Cp{sub 4}{sup *} (Cp{sup *}=C{sub 5}[CH{sub 3}]{sub 5}). Prior to reaction with the aluminum core, simulations suggest that the oxygen undergoes a hindered crossing of the steric barrier presented by the outer ligand monolayer. A combination of two collective variables based on aluminum/oxygen distance and lateral oxygen displacement was found to produce distinct reactant, product, and transition states for this process. In the methylated cluster with Cp{sup *} ligands,more » a broad transition state of 45 kJ/mol was observed due to direct steric interactions with the ligand groups and considerable oxygen reorientation. In the non-methylated cluster the ligands distort away from the oxidizer, resulting in a barrier of roughly 34 kJ/mol with minimal O{sub 2} reorientation. A study of the oxygen/cluster system fixed in a triplet multiplicity suggests that the spin state does not affect the initial steric interaction with the ligands. The metadynamics approach appears to be a promising means of analyzing the initial steps of such oxidation reactions for ligand-protected clusters.« less

Nonlinear modelling of high-speed catenary based on analytical expressions of cable and truss elements

NASA Astrophysics Data System (ADS)

Song, Yang; Liu, Zhigang; Wang, Hongrui; Lu, Xiaobing; Zhang, Jing

2015-10-01

Due to the intrinsic nonlinear characteristics and complex structure of the high-speed catenary system, a modelling method is proposed based on the analytical expressions of nonlinear cable and truss elements. The calculation procedure for solving the initial equilibrium state is proposed based on the Newton-Raphson iteration method. The deformed configuration of the catenary system as well as the initial length of each wire can be calculated. Its accuracy and validity of computing the initial equilibrium state are verified by comparison with the separate model method, absolute nodal coordinate formulation and other methods in the previous literatures. Then, the proposed model is combined with a lumped pantograph model and a dynamic simulation procedure is proposed. The accuracy is guaranteed by the multiple iterative calculations in each time step. The dynamic performance of the proposed model is validated by comparison with EN 50318, the results of the finite element method software and SIEMENS simulation report, respectively. At last, the influence of the catenary design parameters (such as the reserved sag and pre-tension) on the dynamic performance is preliminarily analysed by using the proposed model.

A 45-ns molecular dynamics simulation of hemoglobin in water by vectorizing and parallelizing COSMOS90 on the earth simulator: dynamics of tertiary and quaternary structures.

PubMed

Saito, Minoru; Okazaki, Isao

2007-04-30

Molecular dynamics (MD) simulations of human adult hemoglobin (HbA) were carried out for 45 ns in water with all degrees of freedom including bond stretching and without any artificial constraints. To perform such large-scale simulations, one of the authors (M.S.) accelerated his own software COSMOS90 on the Earth Simulator by vectorization and parallelization. The dynamical features of HbA were investigated by evaluating root-mean-square deviations from the initial X-ray structure (an oxy T-state hemoglobin with PDB code: 1GZX) and root-mean-square fluctuations around the average structure from the simulation trajectories. The four subunits (alpha(1), alpha(2), beta(1), and beta(2)) of HbA maintained structures close to their respective X-ray structures during the simulations even though no constraints were applied to HbA in the simulations. Dimers alpha(1)beta(1) and alpha(2)beta(2) also maintained structures close to their respective X-ray structures while they moved relative to each other like two stacks of dumbbells. The distance between the two dimers (alpha(1)beta(1) and alpha(2)beta(2)) increased by 2 A (7.4%) in the initial 15 ns and stably fluctuated at the distance with the standard deviation 0.2 A. The relative orientation of the two dimers fluctuated between the initial X-ray angle -100 degrees and about -105 degrees with intervals of a few tens of nanoseconds.

The Impact of TRMM on Mesoscale Model Simulation of Super Typhoon Paka

NASA Technical Reports Server (NTRS)

Tao, W.-K.; Jia, Y.; Halverson, J.; Hou, A.; Olson, W.; Rodgers, E.; Simpson, J.

1999-01-01

Tropical cyclone Paka formed during the first week of December 1997 and underwent three periods of rapid intensification over the following two weeks. During one of these periods, which initiated early on December 10, Paka's Dvorak-measured windspeed increased from 23 to 60 m/s over a 48-hr period. On December 18, during the last rapid deepening episode, Paka became a supertyphoon with a maximum wind speed of about 80 m/s. In this study, the Penn State/NCAR Mesoscale Model (MM5) with improved physics (i.e., cloud microphysics, radiation, land-soil-vegetation-surface processes, and TOGA COARE flux scheme) and a multiple level nesting technique (135, 45 and 15 km horizontal resolution) will be used to simulate supertyphoon Paka. We performed two runs initialized with Goddard Earth Observing System (GEOS) data sets. The first GEOS data set does not incorporate either TRMM (tropical rainfall measuring mission satellite) or SSM/I (sensor microwave imager) observed rainfall fields into the GEOS's assimilation system while the second one does. Preliminary results show that the MM5 simulated surface pressure deepened by more than 25 mb (45 km resolution domain) in the run initialized with the GEOS data set incorporating TRMM and SSM/I derived rainfall, compared to the one initialized without. However, the track and precipitation patterns are quite similar between the runs. In our presentation, we will show the impact of TRMM rainfall upon the MM5 simulation of Paka at various horizontal resolutions. We will also examine the physical processes associated with initial explosive development by comparing MM5 simulated rainfall and latent heat release. In addition, budget (vorticity, PV, momentum and heat) calculations and sensitivity tests will be performed to examine the upper-tropospheric and SST mechanisms responsible for the explosive development of Paka.

Competing Pathways and Multiple Folding Nuclei in a Large Multidomain Protein, Luciferase.

PubMed

Scholl, Zackary N; Yang, Weitao; Marszalek, Piotr E

2017-05-09

Proteins obtain their final functional configuration through incremental folding with many intermediate steps in the folding pathway. If known, these intermediate steps could be valuable new targets for designing therapeutics and the sequence of events could elucidate the mechanism of refolding. However, determining these intermediate steps is hardly an easy feat, and has been elusive for most proteins, especially large, multidomain proteins. Here, we effectively map part of the folding pathway for the model large multidomain protein, Luciferase, by combining single-molecule force-spectroscopy experiments and coarse-grained simulation. Single-molecule refolding experiments reveal the initial nucleation of folding while simulations corroborate these stable core structures of Luciferase, and indicate the relative propensities for each to propagate to the final folded native state. Both experimental refolding and Monte Carlo simulations of Markov state models generated from simulation reveal that Luciferase most often folds along a pathway originating from the nucleation of the N-terminal domain, and that this pathway is the least likely to form nonnative structures. We then engineer truncated variants of Luciferase whose sequences corresponded to the putative structure from simulation and we use atomic force spectroscopy to determine their unfolding and stability. These experimental results corroborate the structures predicted from the folding simulation and strongly suggest that they are intermediates along the folding pathway. Taken together, our results suggest that initial Luciferase refolding occurs along a vectorial pathway and also suggest a mechanism that chaperones may exploit to prevent misfolding. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Adiabatic two-qubit state preparation in a superconducting qubit system

NASA Astrophysics Data System (ADS)

Filipp, Stefan; Ganzhorn, Marc; Egger, Daniel; Fuhrer, Andreas; Moll, Nikolaj; Mueller, Peter; Roth, Marco; Schmidt, Sebastian

The adiabatic transport of a quantum system from an initial eigenstate to its final state while remaining in the instantaneous eigenstate of the driving Hamiltonian can be used for robust state preparation. With control over both qubit frequencies and qubit-qubit couplings this method can be used to drive the system from initially trivial eigenstates of the uncoupled qubits to complex entangled multi-qubit states. In the context of quantum simulation, the final state may encode a non-trivial ground-state of a complex molecule or, in the context of adiabatic quantum computing, the solution to an optimization problem. Here, we present experimental results on a system comprising fixed-frequency superconducting transmon qubits and a tunable coupler to adjust the qubit-qubit coupling via parametric frequency modulation. We realize different types of interaction by adjusting the frequency of the modulation. A slow variation of drive amplitude and phase leads to an adiabatic steering of the system to its final state showing entanglement between the qubits.

The Impact of the Nuclear Equation of State in Core Collapse Supernovae

NASA Astrophysics Data System (ADS)

Baird, M. L.; Lentz, E. J.; Hix, W. R.; Mezzacappa, A.; Messer, O. E. B.; Liebendoerfer, M.; TeraScale Supernova Initiative Collaboration

2005-12-01

One of the key ingredients to the core collapse supernova mechanism is the physics of matter at or near nuclear density. Included in simulations as part of the Equation of State (EOS), nuclear repulsion experienced at high densities are responsible for the bounce shock, which initially causes the outer envelope of the supernova to expand, as well as determining the structure of the newly formed proto-neutron star. Recent years have seen renewed interest in this fundamental piece of supernova physics, resulting in several promising candidate EOS parameterizations. We will present the impact of these variations in the nuclear EOS using spherically symmetric, Newtonian and General Relativistic neutrino transport simulations of stellar core collapse and bounce. This work is supported in part by SciDAC grants to the TeraScale Supernovae Initiative from the DOE Office of Science High Energy, Nuclear, and Advanced Scientific Computing Research Programs. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for U.S. Department of Energy under contract DEAC05-00OR22725

Linear dependence of surface expansion speed on initial plasma temperature in warm dense matter

DOE PAGES

Bang, Woosuk; Albright, Brian James; Bradley, Paul Andrew; ...

2016-07-12

Recent progress in laser-driven quasi-monoenergetic ion beams enabled the production of uniformly heated warm dense matter. Matter heated rapidly with this technique is under extreme temperatures and pressures, and promptly expands outward. While the expansion speed of an ideal plasma is known to have a square-root dependence on temperature, computer simulations presented here show a linear dependence of expansion speed on initial plasma temperature in the warm dense matter regime. The expansion of uniformly heated 1–100 eV solid density gold foils was modeled with the RAGE radiation-hydrodynamics code, and the average surface expansion speed was found to increase linearly withmore » temperature. The origin of this linear dependence is explained by comparing predictions from the SESAME equation-of-state tables with those from the ideal gas equation-of-state. In conclusion, these simulations offer useful insight into the expansion of warm dense matter and motivate the application of optical shadowgraphy for temperature measurement.« less

Evaluation of Offline Models Used to Simulate Components of the Permafrost Carbon Feedback: Experience from the Permafrost Carbon Network Model Integration Group

NASA Astrophysics Data System (ADS)

McGuire, A. D.

2016-12-01

The Model Integration Group of the Permafrost Carbon Network (see http://www.permafrostcarbon.org/) has conducted studies to evaluate the sensitivity of offline terrestrial permafrost and carbon models to both historical and projected climate change. These studies indicate that there is a wide range of (1) initial states permafrost extend and carbon stocks simulated by these models and (2) responses of permafrost extent and carbon stocks to both historical and projected climate change. In this study, we synthesize what has been learned about the variability in initial states among models and the driving factors that contribute to variability in the sensitivity of responses. We conclude the talk with a discussion of efforts needed by (1) the modeling community to standardize structural representation of permafrost and carbon dynamics among models that are used to evaluate the permafrost carbon feedback and (2) the modeling and observational communities to jointly develop data sets and methodologies to more effectively benchmark models.

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.

How Hydroclimate Influences the Effectiveness of Particle Filter Data Assimilation of Streamflow in Initializing Short- to Medium-range Streamflow Forecasts

NASA Astrophysics Data System (ADS)

Clark, E.; Wood, A.; Nijssen, B.; Clark, M. P.

2017-12-01

Short- to medium-range (1- to 7-day) streamflow forecasts are important for flood control operations and in issuing potentially life-save flood warnings. In the U.S., the National Weather Service River Forecast Centers (RFCs) issue such forecasts in real time, depending heavily on a manual data assimilation (DA) approach. Forecasters adjust model inputs, states, parameters and outputs based on experience and consideration of a range of supporting real-time information. Achieving high-quality forecasts from new automated, centralized forecast systems will depend critically on the adequacy of automated DA approaches to make analogous corrections to the forecasting system. Such approaches would further enable systematic evaluation of real-time flood forecasting methods and strategies. Toward this goal, we have implemented a real-time Sequential Importance Resampling particle filter (SIR-PF) approach to assimilate observed streamflow into simulated initial hydrologic conditions (states) for initializing ensemble flood forecasts. Assimilating streamflow alone in SIR-PF improves simulated streamflow and soil moisture during the model spin up period prior to a forecast, with consequent benefits for forecasts. Nevertheless, it only consistently limits error in simulated snow water equivalent during the snowmelt season and in basins where precipitation falls primarily as snow. We examine how the simulated initial conditions with and without SIR-PF propagate into 1- to 7-day ensemble streamflow forecasts. Forecasts are evaluated in terms of reliability and skill over a 10-year period from 2005-2015. The focus of this analysis is on how interactions between hydroclimate and SIR-PF performance impact forecast skill. To this end, we examine forecasts for 5 hydroclimatically diverse basins in the western U.S. Some of these basins receive most of their precipitation as snow, others as rain. Some freeze throughout the mid-winter while others experience significant mid-winter melt events. We describe the methodology and present seasonal and inter-basin variations in DA-enhanced forecast skill.

Scaling laws for the mechanics of loose and cohesive granular materials based on Baxter's sticky hard spheres

NASA Astrophysics Data System (ADS)

Gaume, Johan; Löwe, Henning; Tan, Shurun; Tsang, Leung

2017-09-01

We have conducted discrete element simulations (pfc3d) of very loose, cohesive, granular assemblies with initial configurations which are drawn from Baxter's sticky hard sphere (SHS) ensemble. The SHS model is employed as a promising auxiliary means to independently control the coordination number zc of cohesive contacts and particle volume fraction ϕ of the initial states. We focus on discerning the role of zc and ϕ for the elastic modulus, failure strength, and the plastic consolidation line under quasistatic, uniaxial compression. We find scaling behavior of the modulus and the strength, which both scale with the cohesive contact density νc=zcϕ of the initial state according to a power law. In contrast, the behavior of the plastic consolidation curve is shown to be independent of the initial conditions. Our results show the primary control of the initial contact density on the mechanics of cohesive granular materials for small deformations, which can be conveniently, but not exclusively explored within the SHS-based assembling procedure.

Finite element analysis of heat load of tungsten relevant to ITER conditions

NASA Astrophysics Data System (ADS)

Zinovev, A.; Terentyev, D.; Delannay, L.

2017-12-01

A computational procedure is proposed in order to predict the initiation of intergranular cracks in tungsten with ITER specification microstructure (i.e. characterised by elongated micrometre-sized grains). Damage is caused by a cyclic heat load, which emerges from plasma instabilities during operation of thermonuclear devices. First, a macroscopic thermo-mechanical simulation is performed in order to obtain temperature- and strain field in the material. The strain path is recorded at a selected point of interest of the macroscopic specimen, and is then applied at the microscopic level to a finite element mesh of a polycrystal. In the microscopic simulation, the stress state at the grain boundaries serves as the marker of cracking initiation. The simulated heat load cycle is a representative of edge-localized modes, which are anticipated during normal operations of ITER. Normal stresses at the grain boundary interfaces were shown to strongly depend on the direction of grain orientation with respect to the heat flux direction and to attain higher values if the flux is perpendicular to the elongated grains, where it apparently promotes crack initiation.

A Proof of Factorization Theorem of Drell-Yan Process at Operator Level

NASA Astrophysics Data System (ADS)

Zhou, Gao-Liang

2016-02-01

An alternative proof of factorization theorem for Drell-Yan process that works at operator level is presented in this paper. Contributions of interactions after the hard collision for such inclusive processes are proved to be canceled at operator level according to the unitarity of time evolution operator. After this cancellation, there are no longer leading pinch singular surface in Glauber region in the time evolution of electromagnetic currents. Effects of soft gluons are absorbed into Wilson lines of scalar-polarized gluons. Cancelation of soft gluons is attribute to unitarity of time evolution operator and such Wilson lines. Supported by the National Natural Science Foundation of China under Grant No. 11275242

Frequency-dependent dynamic magnetic properties of the Ising bilayer system consisting of spin-3/2 and spin-5/2 spins

NASA Astrophysics Data System (ADS)

Keskin, Mustafa; Ertaş, Mehmet

2018-04-01

Dynamic magnetic properties of the Ising bilayer system consisting of the mixed (3/2, 5/2) Ising spins with a crystal-field interaction in an oscillating field on a two-layer square lattice is studied by the use of dynamic mean-field theory based on the Glauber-type stochastic. Dynamic phase transition temperatures are obtained and dynamic phase diagrams are presented in three different planes. The frequency dependence of dynamic hysteresis loops is also investigated in detail. We compare the results with some available theoretical and experimental works and observe a quantitatively good agreement with some theoretical and experimental results.

pp interaction at very high energies in cosmic ray experiments

NASA Astrophysics Data System (ADS)

Kendi Kohara, A.; Ferreira, Erasmo; Kodama, Takeshi

2014-11-01

An analysis of p-air cross section data from extensive air shower measurements is presented, based on an analytical representation of the pp scattering amplitudes that describes with high precision all available accelerator data at ISR, SPS and LHC energies. The theoretical basis of the representation, together with the very smooth energy dependence of parameters controlled by unitarity and dispersion relations, permits reliable extrapolation to high energy cosmic ray (CR) and asymptotic energy ranges. Calculations of σ p-airprod based on Glauber formalism are made using the input values of the quantities σ , ρ , BI and BR at high energies, with attention given to the independence of the slope parameters, with {{B}R}\

Design and demonstration of a storage-assisted air conditioning system

NASA Astrophysics Data System (ADS)

Rizzuto, J. E.

1981-03-01

The system is a peak-shaving system designed to provide a levelized air conditioning load. The system also requires minimum air conditioner and thermal storage capacity. The storage-assisted air conditioning system uses a Glauber's salt-based phase change material in sausage like containers called CHUBS. The CHUBS are two (2) inches in diameter and 20 inches long. They are stacked in modules of 64 CHUBS which are appropriately spaced and oriented in the storage system so that air may pass perpendicular to the long axis of the CHUBS. The phase change material, has a thermal storage capacity in the range of 45 to 50 Btu/lb and a transition temperature of approximately 55 F.

Life and stability testing of packaged low-cost energy storage materials

NASA Astrophysics Data System (ADS)

Frysinger, G. R.

1980-07-01

A low-cost laminated plastic film which is used to contain a Glauber's salt-based phase change thermal energy storage material in sausage like containers called Chubs was developed. Results of tests performed on the Chub packages themselves and on the thermal energy storage capacity of the packaged phase change material are described. From the test results, a set of specifications was drawn up for a film material which will satisfactorily contain the phase change material under anticipated operating conditions. Calorimetric testing of the phase change material with thermal cycling indicates that a design capacity of 45 to 50 Btu/lb for a delta T of 30 F can be used for the packaged material.

Energy Dependence of Nuclear Transparency in C (p,2p) Scattering

NASA Astrophysics Data System (ADS)

Leksanov, A.; Alster, J.; Asryan, G.; Averichev, Y.; Barton, D.; Baturin, V.; Bukhtoyarova, N.; Carroll, A.; Heppelmann, S.; Kawabata, T.; Makdisi, Y.; Malki, A.; Minina, E.; Navon, I.; Nicholson, H.; Ogawa, A.; Panebratsev, Yu.; Piasetzky, E.; Schetkovsky, A.; Shimanskiy, S.; Tang, A.; Watson, J. W.; Yoshida, H.; Zhalov, D.

2001-11-01

The transparency of carbon for (p,2p) quasielastic events was measured at beam momenta ranging from 5.9 to 14.5 GeV/c at 90° c.m. The four-momentum transfer squared (Q2) ranged from 4.7 to 12.7 (GeV/c)2. We present the observed beam momentum dependence of the ratio of the carbon to hydrogen cross sections. We also apply a model for the nuclear momentum distribution of carbon to obtain the nuclear transparency. We find a sharp rise in transparency as the beam momentum is increased to 9 GeV/c and a reduction to approximately the Glauber level at higher energies.

Structure of 8Li from a reaction cross-section measurement

NASA Astrophysics Data System (ADS)

Fan, G. W.; Fukuda, M.; Nishimura, D.; Cai, X. L.; Fukuda, S.; Hachiuma, I.; Ichikawa, C.; Izumikawa, T.; Kanazawa, M.; Kitagawa, A.; Kuboki, T.; Lantz, M.; Mihara, M.; Nagashima, M.; Namihira, K.; Ohkuma, Y.; Ohtsubo, T.; Ren, Zhongzhou; Sato, S.; Shen, Z. Q.; Sugiyama, M.; Suzuki, S.; Suzuki, T.; Takechi, M.; Yamaguchi, T.; Xu, B. J.; Xu, W.

2014-10-01

We have precisely measured reaction cross sections (σR) for 8Li using 9Be, 12C , 27Al, and proton targets at intermediate energies by the transmission method. From the energy dependence of the σR including the high energy data, the density distribution of 8Li was deduced through a modified Glauber model. It is shown that 8Li has a shorter tail structure in the density as compared with that of 8B and the matter radius of 8Li is similar to those of the other nonhalo Li isotopes. The result is consistent with the previous experiments that there is a tendency for 8Li to be a skin nucleus.

Calculation of proton total reaction cross sections for some target nuclei in incident energy range of 10-600 MeV

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

Bueyuekuslu, H.; Kaplan, A., E-mail: kaplan@fef.sdu.edu.t; Aydin, A.

2010-10-15

In this study, proton total reaction cross sections have been investigated for some isotopes such as {sup 12}C, {sup 27}Al, {sup 9}Be, {sup 16}O, {sup 181}Ta, {sup 197}Au, {sup 6}Li, and {sup 14}N by a proton beam up to 600 MeV. Calculation of the proton total cross sections has been carried out by the analytic expression formulated by M.A. Alvi by using Coulomb-modified Glauber theory with the Helm model nuclear form factor. The obtained results have been discussed and compared with the available experimental data and found to be in agreement with each other.

Characteristics code for shock initiation

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

Partom, Y.

1986-10-01

We developed SHIN, a characteristics code for shock initiation studies. We describe in detail the equations of state, reaction model, rate equations, and numerical difference equations that SHIN incorporates. SHIN uses the previously developed surface burning reaction model which better represents the shock initiation process in TATB, than do bulk reaction models. A large number of computed simulations prove the code is a reliable and efficient tool for shock initiation studies. A parametric study shows the effect on build-up and run distance to detonation of (1) type of boundary condtion, (2) burning velocity curve, (3) shock duration, (4) rise timemore » in ramp loading, (5) initial density (or porosity) of the explosive, (6) initial temperature, and (7) grain size. 29 refs., 65 figs.« less

Photodissociation of methyl formate: Conical intersections, roaming and triple fragmentation

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

Lin, King-Chuen; Tsai, Po-Yu; Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan

2015-12-31

The photodissociation channels of methyl formate have been extensively investigated by two different advanced experimental techniques, ion imaging and Fourier-Transform-Infrared emission spectroscopy, combined with quantum chemical calculations and molecular dynamics simulations. Our aim is to characterize the role of alternative routes to the conventional transition-state mediated pathway: the roaming and the triple fragmentation processes. The photolysis experiments, carried out at a range of laser wavelengths in the vicinity of the triple fragmentation threshold, beside the simulation of large bunches of classical trajectories with different initial conditions, have shown that both mechanisms share a common path that involves a conical intersectionmore » during the relaxation process from the electronic excited state S{sub 1} to the ground state S{sub 0}.« less

Status of Microsurgical Simulation Training in Plastic Surgery: A Survey of United States Program Directors.

PubMed

Al-Bustani, Saif; Halvorson, Eric G

2016-06-01

Various simulation models for microsurgery have been developed to overcome the limitations of Halstedian training on real patients. We wanted to assess the status of microsurgery simulation in plastic surgery residency programs in the United States. Data were analyzed from responses to a survey sent to all plastic surgery program directors in the United States, asking for type of simulation, quality of facilities, utilization by trainees, evaluation of trainee sessions, and perception of the relevance of simulation. The survey response rate was 50%. Of all programs, 69% provide microsurgical simulation and 75% of these have a laboratory with microscope and 52% provide live animal models. Half share facilities with other departments. The quality of facilities is rated as good or great in 89%. Trainee utilization is once every 3 to 6 months in 82% of programs. Only in 11% is utilization monthly. Formal evaluation of simulation sessions is provided by 41% of programs. All program directors agree simulation is relevant to competence in microsurgery, 60% agree simulation should be mandatory, and 43% require trainees to complete a formal microsurgery course prior to live surgery. There seems to be consensus that microsurgical simulation improves competence, and the majority of program directors agree it should be mandatory. Developing and implementing standardized simulation modules and assessment tools for trainees across the nation as part of a comprehensive competency-based training program for microsurgery is an important patient safety initiative that should be considered. Organizing with other departments to share facilities may improve their quality and hence utilization.

A Track Initiation Method for the Underwater Target Tracking Environment

NASA Astrophysics Data System (ADS)

Li, Dong-dong; Lin, Yang; Zhang, Yao

2018-04-01

A novel efficient track initiation method is proposed for the harsh underwater target tracking environment (heavy clutter and large measurement errors): track splitting, evaluating, pruning and merging method (TSEPM). Track initiation demands that the method should determine the existence and initial state of a target quickly and correctly. Heavy clutter and large measurement errors certainly pose additional difficulties and challenges, which deteriorate and complicate the track initiation in the harsh underwater target tracking environment. There are three primary shortcomings for the current track initiation methods to initialize a target: (a) they cannot eliminate the turbulences of clutter effectively; (b) there may be a high false alarm probability and low detection probability of a track; (c) they cannot estimate the initial state for a new confirmed track correctly. Based on the multiple hypotheses tracking principle and modified logic-based track initiation method, in order to increase the detection probability of a track, track splitting creates a large number of tracks which include the true track originated from the target. And in order to decrease the false alarm probability, based on the evaluation mechanism, track pruning and track merging are proposed to reduce the false tracks. TSEPM method can deal with the track initiation problems derived from heavy clutter and large measurement errors, determine the target's existence and estimate its initial state with the least squares method. What's more, our method is fully automatic and does not require any kind manual input for initializing and tuning any parameter. Simulation results indicate that our new method improves significantly the performance of the track initiation in the harsh underwater target tracking environment.

Renewable Energy Systems for Forward Operating Bases: A Simulations-Based Optimization Approach

DTIC Science & Technology

2010-08-01

07. C-8 ENERGY STORAGE MODELS Two types of energy storage were compared in these simulations: lead-acid batteries and molten salt storage...of charge: 80% The initial state of charge used for the molten salt storage system is slightly higher than that used for the lead-acid battery ...cost for lead-acid batteries was assumed to be $630/kWh. MOLTEN SALT STORAGE Domestic installed cost for the molten salt storage system was

Molecular Modeling of Chem-Bio (CB) Contaminant Sorption/Desorption and Reactions in Chlorinated Water Systems

DTIC Science & Technology

2012-05-01

The Smoluchowski model allows us to predict both the flux of DMMP molecules onto the channel membrane in the initial phase of the simulations, as... predicts both the transient and steady-state behavior of the MD simulations. However, the model breaks down for the silica sur- faces, because the...within the range predicted by the “one versus two contact point” conjecture outlined above. Subsequent chemical modeling obtained by Ginsberg (ERDC

Reconnection and interchange instability in the near magnetotail

DOE PAGES

Birn, Joachim; Liu, Yi -Hsin; Daughton, William; ...

2015-07-16

This paper provides insights into the possible coupling between reconnection and interchange/ballooning in the magnetotail related to substorms and flow bursts. The results presented are largely based on recent simulations of magnetotail dynamics, exploring onset and progression of reconnection. 2.5-dimensional particle-in-cell (PIC) simulations with different tail deformation demonstrate a clear boundary between stable and unstable cases depending on the amount of deformation, explored up to the real proton/electron mass ratio. The evolution prior to onset, as well as the evolution of stable cases, are governed by the conservation of integral flux tube entropy S as imposed in ideal MHD, maintainingmore » a monotonic increase with distance downtail. This suggests that ballooning instability in the tail should not be expected prior to the onset of tearing and reconnection. 3-D MHD simulations confirm this conclusion, showing no indication of ballooning prior to reconnection, if the initial state is ballooning stable. The simulation also shows that, after imposing resistivity necessary to initiate reconnection, the reconnection rate and energy release initially remain slow. However, when S becomes reduced from plasmoid ejection and lobe reconnection, forming a negative slope in S as a function of distance from Earth, the reconnection rate and energy release increase drastically. The latter condition has been shown to be necessary for ballooning/interchange instability, and the cross-tail structures that develop subsequently in the MHD simulation are consistent with such modes. The simulations support a concept in which tail activity is initiated by tearing instability but significantly enhanced by the interaction with ballooning/interchange enabled by plasmoid loss and lobe reconnection.« less

Emergence of Alpha and Gamma Like Rhythms in a Large Scale Simulation of Interacting Neurons

NASA Astrophysics Data System (ADS)

Gaebler, Philipp; Miller, Bruce

2007-10-01

In the normal brain, at first glance the electrical activity appears very random. However, certain frequencies emerge during specific stages of sleep or between quiet wake states. This raises the question of whether current mathematical and computational models of interacting neurons can display similar behavior. A recent model developed by Eugene Izhikevich appears to succeed. However, early dynamical simulations used to detect these patterns were possibly compromised by an over-simplified initial condition and evolution algorithm. Utilizing the same model, but a more robust algorithm, here we present our initial results, showing that these patterns persist under a wide range of initial conditions. We employ spectral analysis of the firing patterns of a system of interacting excitatory and inhibitory neurons to demonstrate a bimodal spectrum centered on two frequencies in the range characteristic of alpha and gamma rhythms in the human brain.

Creating Weather System Ensembles Through Synergistic Process Modeling and Machine Learning

NASA Astrophysics Data System (ADS)

Chen, B.; Posselt, D. J.; Nguyen, H.; Wu, L.; Su, H.; Braverman, A. J.

2017-12-01

Earth's weather and climate are sensitive to a variety of control factors (e.g., initial state, forcing functions, etc). Characterizing the response of the atmosphere to a change in initial conditions or model forcing is critical for weather forecasting (ensemble prediction) and climate change assessment. Input - response relationships can be quantified by generating an ensemble of multiple (100s to 1000s) realistic realizations of weather and climate states. Atmospheric numerical models generate simulated data through discretized numerical approximation of the partial differential equations (PDEs) governing the underlying physics. However, the computational expense of running high resolution atmospheric state models makes generation of more than a few simulations infeasible. Here, we discuss an experiment wherein we approximate the numerical PDE solver within the Weather Research and Forecasting (WRF) Model using neural networks trained on a subset of model run outputs. Once trained, these neural nets can produce large number of realization of weather states from a small number of deterministic simulations with speeds that are orders of magnitude faster than the underlying PDE solver. Our neural network architecture is inspired by the governing partial differential equations. These equations are location-invariant, and consist of first and second derivations. As such, we use a 3x3 lon-lat grid of atmospheric profiles as the predictor in the neural net to provide the network the information necessary to compute the first and second moments. Results indicate that the neural network algorithm can approximate the PDE outputs with high degree of accuracy (less than 1% error), and that this error increases as a function of the prediction time lag.

Arrays of individually controlled ions suitable for two-dimensional quantum simulations

DOE PAGES

Mielenz, Manuel; Kalis, Henning; Wittemer, Matthias; ...

2016-06-13

A precisely controlled quantum system may reveal a fundamental understanding of another, less accessible system of interest. A universal quantum computer is currently out of reach, but an analogue quantum simulator that makes relevant observables, interactions and states of a quantum model accessible could permit insight into complex dynamics. Several platforms have been suggested and proof-of-principle experiments have been conducted. Here, we operate two-dimensional arrays of three trapped ions in individually controlled harmonic wells forming equilateral triangles with side lengths 40 and 80 μm. In our approach, which is scalable to arbitrary two-dimensional lattices, we demonstrate individual control of themore » electronic and motional degrees of freedom, preparation of a fiducial initial state with ion motion close to the ground state, as well as a tuning of couplings between ions within experimental sequences. Lastly, our work paves the way towards a quantum simulator of two-dimensional systems designed at will.« less

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

Dai, Jin; He, Jianfeng, E-mail: Antti.Niemi@physics.uu.se, E-mail: hjf@bit.edu.cn; Niemi, Antti J., E-mail: Antti.Niemi@physics.uu.se, E-mail: hjf@bit.edu.cn

The Landau-Ginzburg-Wilson paradigm is proposed as a framework, to investigate the conformational landscape of intrinsically unstructured proteins. A universal Cα-trace Landau free energy is deduced from general symmetry considerations, with the ensuing all-atom structure modeled using publicly available reconstruction programs Pulchra and Scwrl. As an example, the conformational stability of an amyloid precursor protein intra-cellular domain (AICD) is inspected; the reference conformation is the crystallographic structure with code 3DXC in Protein Data Bank (PDB) that describes a heterodimer of AICD and a nuclear multi-domain adaptor protein Fe65. Those conformations of AICD that correspond to local or near-local minima of themore » Landau free energy are identified. For this, the response of the original 3DXC conformation to variations in the ambient temperature is investigated, using the Glauber algorithm. The conclusion is that in isolation the AICD conformation in 3DXC must be unstable. A family of degenerate conformations that minimise the Landau free energy is identified, and it is proposed that the native state of an isolated AICD is a superposition of these conformations. The results are fully in line with the presumed intrinsically unstructured character of isolated AICD and should provide a basis for a systematic analysis of AICD structure in future NMR experiments.« less

Conformational landscape of an amyloid intra-cellular domain and Landau-Ginzburg-Wilson paradigm in protein dynamics

NASA Astrophysics Data System (ADS)

Dai, Jin; Niemi, Antti J.; He, Jianfeng

2016-07-01

The Landau-Ginzburg-Wilson paradigm is proposed as a framework, to investigate the conformational landscape of intrinsically unstructured proteins. A universal Cα-trace Landau free energy is deduced from general symmetry considerations, with the ensuing all-atom structure modeled using publicly available reconstruction programs Pulchra and Scwrl. As an example, the conformational stability of an amyloid precursor protein intra-cellular domain (AICD) is inspected; the reference conformation is the crystallographic structure with code 3DXC in Protein Data Bank (PDB) that describes a heterodimer of AICD and a nuclear multi-domain adaptor protein Fe65. Those conformations of AICD that correspond to local or near-local minima of the Landau free energy are identified. For this, the response of the original 3DXC conformation to variations in the ambient temperature is investigated, using the Glauber algorithm. The conclusion is that in isolation the AICD conformation in 3DXC must be unstable. A family of degenerate conformations that minimise the Landau free energy is identified, and it is proposed that the native state of an isolated AICD is a superposition of these conformations. The results are fully in line with the presumed intrinsically unstructured character of isolated AICD and should provide a basis for a systematic analysis of AICD structure in future NMR experiments.

New closed analytical solutions for geometrically thick fluid tori around black holes. Numerical evolution and the onset of the magneto-rotational instability

NASA Astrophysics Data System (ADS)

Witzany, V.; Jefremov, P.

2018-06-01

Context. When a black hole is accreting well below the Eddington rate, a geometrically thick, radiatively inefficient state of the accretion disk is established. There is a limited number of closed-form physical solutions for geometrically thick (nonselfgravitating) toroidal equilibria of perfect fluids orbiting a spinning black hole, and these are predominantly used as initial conditions for simulations of accretion in the aforementioned mode. However, different initial configurations might lead to different results and thus observational predictions drawn from such simulations. Aims: We aim to expand the known equilibria by a number of closed multiparametric solutions with various possibilities of rotation curves and geometric shapes. Then, we ask whether choosing these as initial conditions influences the onset of accretion and the asymptotic state of the disk. Methods: We have investigated a set of examples from the derived solutions in detail; we analytically estimate the growth of the magneto-rotational instability (MRI) from their rotation curves and evolve the analytically obtained tori using the 2D magneto-hydrodynamical code HARM. Properties of the evolutions are then studied through the mass, energy, and angular-momentum accretion rates. Results: The rotation curve has a decisive role in the numerical onset of accretion in accordance with our analytical MRI estimates: in the first few orbital periods, the average accretion rate is linearly proportional to the initial MRI rate in the toroids. The final state obtained from any initial condition within the studied class after an evolution of ten or more orbital periods is mostly qualitatively identical and the quantitative properties vary within a single order of magnitude. The average values of the energy of the accreted fluid have an irregular dependency on initial data, and in some cases fluid with energies many times its rest mass is systematically accreted.

Nonequilibrium spin transport in integrable spin chains: Persistent currents and emergence of magnetic domains

NASA Astrophysics Data System (ADS)

De Luca, Andrea; Collura, Mario; De Nardis, Jacopo

2017-07-01

We construct exact steady states of unitary nonequilibrium time evolution in the gapless XXZ spin-1/2 chain where integrability preserves ballistic spin transport at long times. We characterize the quasilocal conserved quantities responsible for this feature and introduce a computationally effective way to evaluate their expectation values on generic matrix product initial states. We employ this approach to reproduce the long-time limit of local observables in all quantum quenches which explicitly break particle-hole or time-reversal symmetry. We focus on a class of initial states supporting persistent spin currents and our predictions remarkably agree with numerical simulations at long times. Furthermore, we propose a protocol for this model where interactions, even when antiferromagnetic, are responsible for the unbounded growth of a macroscopic magnetic domain.

The WRF-CMAQ Integrated On-Line Modeling System: Development, Testing, and Initial Applications

EPA Science Inventory

Traditionally, atmospheric chemistry-transport and meteorology models have been applied in an off-line paradigm, in which archived output on the dynamical state of the atmosphere simulated using the meteorology model is used to drive transport and chemistry calculations of atmos...

Diabatic Initialization of Mesoscale Models in the Southeastern United States: Can 0 to 12h Warm Season QPF be Improved?

NASA Technical Reports Server (NTRS)

Lapenta, William M.; Bradshaw, Tom; Burks, Jason; Darden, Chris; Dembek, Scott

2003-01-01

It is well known that numerical warm season quantitative precipitation forecasts lack significant skill for numerous reasons. Some are related to the model--it may lack physical processes required to realistically simulate convection or the numerical algorithms and dynamics employed may not be adequate. Others are related to initialization-mesoscale features play an important role in convective initialization and atmospheric observation systems are incapable of properly depicting the three-dimensional stability structure at the mesoscale. The purpose of this study is to determine if a mesoscale model initialized with a diabatic initialization scheme can improve short-term (0 to 12h) warm season quantitative precipitation forecasts in the Southeastern United States. The Local Analysis and Prediction System (LAPS) developed at the Forecast System Laboratory is used to diabatically initialize the Pennsylvania State University/National center for Atmospheric Research (PSUNCAR) Mesoscale Model version 5 (MM5). The SPORT Center runs LAPS operationally on an hourly cycle to produce analyses on a 15 km covering the eastern 2/3 of the United States. The 20 km National Centers for Environmental Prediction (NCEP) Rapid Update Cycle analyses are used for the background fields. Standard observational data are acquired from MADIS with GOES/CRAFT Nexrad data acquired from in-house feeds. The MM5 is configured on a 140 x 140 12 km grid centered on Huntsville Alabama. Preliminary results indicate that MM5 runs initialized with LAPS produce improved 6 and 12h QPF threat scores compared with those initialized with the NCEP RUC.

Folding and stability of helical bundle proteins from coarse-grained models.

PubMed

Kapoor, Abhijeet; Travesset, Alex

2013-07-01

We develop a coarse-grained model where solvent is considered implicitly, electrostatics are included as short-range interactions, and side-chains are coarse-grained to a single bead. The model depends on three main parameters: hydrophobic, electrostatic, and side-chain hydrogen bond strength. The parameters are determined by considering three level of approximations and characterizing the folding for three selected proteins (training set). Nine additional proteins (containing up to 126 residues) as well as mutated versions (test set) are folded with the given parameters. In all folding simulations, the initial state is a random coil configuration. Besides the native state, some proteins fold into an additional state differing in the topology (structure of the helical bundle). We discuss the stability of the native states, and compare the dynamics of our model to all atom molecular dynamics simulations as well as some general properties on the interactions governing folding dynamics. Copyright © 2013 Wiley Periodicals, Inc.

Comments on "The Sensitivity Study of Radiative-Convective Equilibrium in the Tropics with a Convective Resolving Model"

NASA Technical Reports Server (NTRS)

Tao, W.-K.; Shie, C.-L.; Simpson, J.

2000-01-01

In general, there are two broad scientific objectives when using cloud resolving models (CRMs or cloud ensemble models-CEMs) to study tropical convection. The first one is to use them as a physics resolving models to understand the dynamic and microphysical processes associated with the tropical water and energy cycles and their role in the climate system. The second approach is to use the CRMs to improve the representation of moist processes and their interaction with radiation in large-scale models. In order to improve the credibility of the CRMs and achieve the above goals, CRMs using identical initial conditions and large-scale influences need to produce very similar results. Two CRMs produced different statistical equilibrium (SE) states even though both used the same initial thermodynamic and wind conditions. Sensitivity tests to identify the major physical processes that determine the SE states for the different CRM simulations were performed. Their results indicated that atmospheric horizontal wind is treated quite differently in these two CRMs. The model that had stronger surface winds and consequently larger latent and sensible heat fluxes from the ocean produced a warmer and more humid modeled thermodynamic SE state. In addition, the domain mean thermodynamic state is more unstable for those experiments that produced a warmer and more humid SE state. Their simulated wet (warm and humid) SE states are thermally more stable in the lower troposphere (from the surface to 4-5 km in altitude). The large-scale horizontal advective effects on temperature and water vapor mixing ratio are needed when using CRMs to perform long-term integrations to study convective feedback under specified large-scale environments. In addition, it is suggested that the dry and cold SE state simulated was caused by enhanced precipitation but not enough surface evaporation. We find some problems with the interpretation of these three phenomena.

Attribution of Trends and Variability in Surface Ozone over the United States

NASA Technical Reports Server (NTRS)

Strode, Sarah; Cooper, Owen; Damo, Megan; Logan, Jennifer; Rodriquez, Jose; Strahan, Susan; Witte, Jacquie

2013-01-01

Concentrations of tropospheric ozone, a greenhouse gas and air pollutant, are impacted by changes in precursor emissions as well meteorology and influx from the stratosphere. Observations show a decreasing trend in summertime surface ozone at rural stations in the eastern United States, while some western stations show increasing trends, particularly in springtime. We use the Global Modeling Initiative (GMI) global chemical transport model to investigate the roles of precursor emission changes, meteorological variability, and stratosphere-troposphere exchange (STE) in explaining observed trends in surface ozone from rural sites in the United States from 1991-2010. The model's interannual variability shows significant correlations with observations from many of the surface sites. We also compare the simulated ozone to ozonesonde data for several locations with sufficiently long records. We compare a simulation with time-dependent precursor emissions, including emission reductions over the United States and Europe and increases over Asia, to a simulation with fixed emissions to quantify the impact of changing emissions on the surface trends. The simulation with varying emissions reproduces much of the east-west difference in summertime ozone over the U.S., although it generally underestimates the negative trend in the East. In contrast, the fixed-emission simulation shows increasing ozone at both eastern and western sites. We will discuss possible causes of this behavior, including long-range transport and STE.

Folding Free Energy Landscape of the Decapeptide Chignolin

NASA Astrophysics Data System (ADS)

Dou, Xianghua; Wang, Jihua

Chignolin is an artificially designed ten-residue (GYDPETGTWG) folded peptide, which is the smallest protein and provides a good template for protein folding. In this work, we completed four explicit water molecular dynamics simulations of Chignolin folding using GROMOS and OPLS-AA force fields from extended initial states without any experiment informations. The four-folding free energy landscapes of the peptide has been drawn. The folded state of Chignolin has been successfully predicated based on the free energy landscapes. The four independent simulations gave similar results. (i) The four free energy landscapes have common characters. They are fairly smooth, barrierless, funnel-like and downhill without intermediate state, which consists with the experiment. (ii) The different extended initial structures converge at similar folded structures with the lowest free energy under GROMOS and OPLS-AA force fields. In the GROMOS force field, the backbone RMSD of the folded structures from the NMR native structure of Chignolin is only 0.114 nm, which is a stable structure in this force field. In the OPLS-AA force field, the similar results have been obtained. In addition, the smallest RMSD structure is in better agreement with the NMR native structure but unlikely stable in the force field.

Study on Impact of Electric Vehicles Charging Models on Power Load

NASA Astrophysics Data System (ADS)

Cheng, Chen; Hui-mei, Yuan

2017-05-01

With the rapid increase in the number of electric vehicles, which will lead the power load on grid increased and have an adversely affect. This paper gives a detailed analysis of the following factors, such as scale of the electric cars, charging mode, initial charging time, initial state of charge, charging power and other factors. Monte Carlo simulation method is used to compare the two charging modes, which are conventional charging and fast charging, and MATLAB is used to model and simulate the electric vehicle charging load. The results show that compared with the conventional charging mode, fast charging mode can meet the requirements of fast charging, but also bring great load to the distribution network which will affect the reliability of power grid.

Improving Numerical Weather Predictions of Summertime Precipitation Over the Southeastern U.S. Through a High-Resolution Initialization of the Surface State

NASA Technical Reports Server (NTRS)

Case, Jonathan L.; Kumar, Sujay V.; Krikishen, Jayanthi; Jedlovec, Gary J.

2011-01-01

It is hypothesized that high-resolution, accurate representations of surface properties such as soil moisture and sea surface temperature are necessary to improve simulations of summertime pulse-type convective precipitation in high resolution models. This paper presents model verification results of a case study period from June-August 2008 over the Southeastern U.S. using the Weather Research and Forecasting numerical weather prediction model. Experimental simulations initialized with high-resolution land surface fields from the NASA Land Information System (LIS) and sea surface temperature (SST) derived from the Moderate Resolution Imaging Spectroradiometer (MODIS) are compared to a set of control simulations initialized with interpolated fields from the National Centers for Environmental Prediction 12-km North American Mesoscale model. The LIS land surface and MODIS SSTs provide a more detailed surface initialization at a resolution comparable to the 4-km model grid spacing. Soil moisture from the LIS spin-up run is shown to respond better to the extreme rainfall of Tropical Storm Fay in August 2008 over the Florida peninsula. The LIS has slightly lower errors and higher anomaly correlations in the top soil layer, but exhibits a stronger dry bias in the root zone. The model sensitivity to the alternative surface initial conditions is examined for a sample case, showing that the LIS/MODIS data substantially impact surface and boundary layer properties.

Design of a smart hemodynamic monitoring simulator.

PubMed

Kilty, Brennan G; Wright, Cameron H G; Barrett, Steven F; Calkins, Jerry M; Drzewiecki, Tadeusz M

2007-01-01

We describe the design of a medical patient status simulator developed as a proof of concept for the United States Air Force. The simulator is the precursor to a system that analyzes hemodynamic information in order to act as an intelligent assistant to a Critical Care Air Transport Team (CCATT) monitoring a critically injured casualty. The simulator displays hemodynamic information, alerts to abnormal values, offers likely diagnoses, and allows the team to review recommended therapies. The focus has been to develop a user interface and modular system architecture that allows individual modules to easily be evaluated and altered as needed. While initiated by the military, this work could also be used to aid civilian first responders.

The Solar UV-x-Ray Spectrum from 1.5 to 2000 A

DTIC Science & Technology

2010-01-01

the field lines reconnect to a lower magnetic energy state than the initial state, the difference in energy going into plasma heating, particle ... simulations including physics such as wave propagation and radiative transfer are now being developed to explain the many fine-scale features of Figure...reconnection in the corona. In this model, reconnection heats plasma and accelerates high- energy particles . In the model some of these particles as well as

Integrated corridor management : analysis, modeling, and simulation for the U.S.-75 corridor in Dallas, Texas – post-deployment assessment report.

DOT National Transportation Integrated Search

2016-11-01

The U.S. Department of Transportation Integrated Corridor Management (ICM) Initiative aims to advance the state of the practice in transportation corridor operations to manage congestion. Through the deployment of ICM at the two selected Demonstratio...

Integrated corridor management analysis, modeling, and simulation for the I-15 corridor in San Diego, California post-deployment assessment report.

DOT National Transportation Integrated Search

2016-12-01

The U.S. Department of Transportation Integrated Corridor Management (ICM) Initiative aims to advance the state of the practice in transportation corridor operations to manage congestion. Through the deployment of ICM at the two selected Demonstratio...

Coarse initial orbit determination for a geostationary satellite using single-epoch GPS measurements.

PubMed

Kim, Ghangho; Kim, Chongwon; Kee, Changdon

2015-04-01

A practical algorithm is proposed for determining the orbit of a geostationary orbit (GEO) satellite using single-epoch measurements from a Global Positioning System (GPS) receiver under the sparse visibility of the GPS satellites. The algorithm uses three components of a state vector to determine the satellite's state, even when it is impossible to apply the classical single-point solutions (SPS). Through consideration of the characteristics of the GEO orbital elements and GPS measurements, the components of the state vector are reduced to three. However, the algorithm remains sufficiently accurate for a GEO satellite. The developed algorithm was tested on simulated measurements from two or three GPS satellites, and the calculated maximum position error was found to be less than approximately 40 km or even several kilometers within the geometric range, even when the classical SPS solution was unattainable. In addition, extended Kalman filter (EKF) tests of a GEO satellite with the estimated initial state were performed to validate the algorithm. In the EKF, a reliable dynamic model was adapted to reduce the probability of divergence that can be caused by large errors in the initial state.

Coarse Initial Orbit Determination for a Geostationary Satellite Using Single-Epoch GPS Measurements

PubMed Central

Kim, Ghangho; Kim, Chongwon; Kee, Changdon

2015-01-01

A practical algorithm is proposed for determining the orbit of a geostationary orbit (GEO) satellite using single-epoch measurements from a Global Positioning System (GPS) receiver under the sparse visibility of the GPS satellites. The algorithm uses three components of a state vector to determine the satellite’s state, even when it is impossible to apply the classical single-point solutions (SPS). Through consideration of the characteristics of the GEO orbital elements and GPS measurements, the components of the state vector are reduced to three. However, the algorithm remains sufficiently accurate for a GEO satellite. The developed algorithm was tested on simulated measurements from two or three GPS satellites, and the calculated maximum position error was found to be less than approximately 40 km or even several kilometers within the geometric range, even when the classical SPS solution was unattainable. In addition, extended Kalman filter (EKF) tests of a GEO satellite with the estimated initial state were performed to validate the algorithm. In the EKF, a reliable dynamic model was adapted to reduce the probability of divergence that can be caused by large errors in the initial state. PMID:25835299

Domain of validity of the perturbative approach to femtosecond optical spectroscopy

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

Gelin, Maxim F.; Rao, B. Jayachander; Nest, Mathias

2013-12-14

We have performed numerical nonperturbative simulations of transient absorption pump-probe responses for a series of molecular model systems. The resulting signals as a function of the laser field strength and the pump-probe delay time are compared with those obtained in the perturbative response function formalism. The simulations and their theoretical analysis indicate that the perturbative description remains valid up to moderately strong laser pulses, corresponding to a rather substantial depopulation (population) of the initial (final) electronic states.

Investigation of models for large-scale meteorological prediction experiments

NASA Technical Reports Server (NTRS)

Spar, J.

1981-01-01

An attempt is made to compute the contributions of various surface boundary conditions to the monthly mean states generated by the 7 layer, 8 x 10 GISS climate model (Hansen et al., 1980), and also to examine the influence of initial conditions on the model climate simulations. Obvious climatic controls as the shape and rotation of the Earth, the solar radiation, and the dry composition of the atmosphere are fixed, and only the surface boundary conditions are altered in the various climate simulations.

An investigation of the role of current and future remote sensing data systems in numerical meteorology

NASA Technical Reports Server (NTRS)

Diak, George R.; Smith, William L.

1992-01-01

A flexible system for performing observing system simulation experiments which made contributions to meteorology across all elements of the observing system simulation experiment (OSSE) components was developed. Future work will seek better understanding of the links between satellite-measured radiation and radiative transfer in the clear, cloudy and precipitating atmosphere and investigate how that understanding might be applied to improve the depiction of the initial state and the treatment of physical processes in forecast models of the atmosphere.

High-resolution dynamically downscaled projections of precipitation in the mid and late 21st century over North America

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

None, None

This study performs high-spatial-resolution (12 km) Weather Research and Forecasting (WRF) simulations over a very large domain (7200 km × 6180 km, covering much of North America) to explore changes in mean and extreme precipitation in the mid and late 21st century under Representative Concentration Pathways 4.5 (RCP 4.5) and 8.5 (RCP 8.5). We evaluate WRF model performance for a historical simulation and future projections, applying the Community Climate System Model version 4 (CCSM4) as initial and boundary conditions with and without a bias correction. WRF simulations using boundary and initial conditions from both versions of CCSM4 show smaller biasesmore » versus evaluation data sets than does CCSM4 over western North America. WRF simulations also improve spatial details of precipitation over much of North America. However, driving the WRF with the bias-corrected CCSM4 does not always reduce the bias. WRF-projected changes in precipitation include decreasing intensity over the southwestern United States, increasing intensity over the eastern United States and most of Canada, and an increase in the number of days with heavy precipitation over much of North America. Projected precipitation changes are more evident in the late 21st century than the mid 21st century, and they are more evident under RCP 8.5 than under RCP 4.5 in the late 21st century. Uncertainties in the projected changes in precipitation due to different warming scenarios are non-negligible. Differences in summer precipitation changes between WRF and CCSM4 are significant over most of the United States.« less

High-resolution dynamically downscaled projections of precipitation in the mid and late 21st century over North America

DOE PAGES

None, None

2015-07-29

This study performs high-spatial-resolution (12 km) Weather Research and Forecasting (WRF) simulations over a very large domain (7200 km × 6180 km, covering much of North America) to explore changes in mean and extreme precipitation in the mid and late 21st century under Representative Concentration Pathways 4.5 (RCP 4.5) and 8.5 (RCP 8.5). We evaluate WRF model performance for a historical simulation and future projections, applying the Community Climate System Model version 4 (CCSM4) as initial and boundary conditions with and without a bias correction. WRF simulations using boundary and initial conditions from both versions of CCSM4 show smaller biasesmore » versus evaluation data sets than does CCSM4 over western North America. WRF simulations also improve spatial details of precipitation over much of North America. However, driving the WRF with the bias-corrected CCSM4 does not always reduce the bias. WRF-projected changes in precipitation include decreasing intensity over the southwestern United States, increasing intensity over the eastern United States and most of Canada, and an increase in the number of days with heavy precipitation over much of North America. Projected precipitation changes are more evident in the late 21st century than the mid 21st century, and they are more evident under RCP 8.5 than under RCP 4.5 in the late 21st century. Uncertainties in the projected changes in precipitation due to different warming scenarios are non-negligible. Differences in summer precipitation changes between WRF and CCSM4 are significant over most of the United States.« less

Estimation of state and material properties during heat-curing molding of composite materials using data assimilation: A numerical study.

PubMed

Matsuzaki, Ryosuke; Tachikawa, Takeshi; Ishizuka, Junya

2018-03-01

Accurate simulations of carbon fiber-reinforced plastic (CFRP) molding are vital for the development of high-quality products. However, such simulations are challenging and previous attempts to improve the accuracy of simulations by incorporating the data acquired from mold monitoring have not been completely successful. Therefore, in the present study, we developed a method to accurately predict various CFRP thermoset molding characteristics based on data assimilation, a process that combines theoretical and experimental values. The degree of cure as well as temperature and thermal conductivity distributions during the molding process were estimated using both temperature data and numerical simulations. An initial numerical experiment demonstrated that the internal mold state could be determined solely from the surface temperature values. A subsequent numerical experiment to validate this method showed that estimations based on surface temperatures were highly accurate in the case of degree of cure and internal temperature, although predictions of thermal conductivity were more difficult.

Imprints of feedback in young gasless clusters?

NASA Astrophysics Data System (ADS)

Parker, Richard J.; Dale, James E.

2013-06-01

We present the results of N-body simulations in which we take the masses, positions and velocities of sink particles from five pairs of hydrodynamical simulations of star formation by Dale et al. and evolve them for further 10 Myr. We compare the dynamical evolution of star clusters that formed under the influence of mass-loss driven by photoionization feedback to the evolution of clusters that formed without feedback. We remove any remaining gas and follow the evolution of structure in the clusters (measured by the Q-parameter), half-mass radius, central density, surface density and the fraction of bound stars. There is little discernible difference in the evolution of clusters that formed with feedback compared to those that formed without. The only clear trend is that all clusters which form without feedback in the hydrodynamical simulations lose any initial structure over 10 Myr, whereas some of the clusters which form with feedback retain structure for the duration of the subsequent N-body simulation. This is due to lower initial densities (and hence longer relaxation times) in the clusters from Dale et al. which formed with feedback, which prevents dynamical mixing from erasing substructure. However, several other conditions (such as supervirial initial velocities) also preserve substructure, so at a given epoch one would require knowledge of the initial density and virial state of the cluster in order to determine whether star formation in a cluster has been strongly influenced by feedback.

Molecular simulations and Markov state modeling reveal the structural diversity and dynamics of a theophylline-binding RNA aptamer in its unbound state

PubMed Central

Warfield, Becka M.

2017-01-01

RNA aptamers are oligonucleotides that bind with high specificity and affinity to target ligands. In the absence of bound ligand, secondary structures of RNA aptamers are generally stable, but single-stranded and loop regions, including ligand binding sites, lack defined structures and exist as ensembles of conformations. For example, the well-characterized theophylline-binding aptamer forms a highly stable binding site when bound to theophylline, but the binding site is unstable and disordered when theophylline is absent. Experimental methods have not revealed at atomic resolution the conformations that the theophylline aptamer explores in its unbound state. Consequently, in the present study we applied 21 microseconds of molecular dynamics simulations to structurally characterize the ensemble of conformations that the aptamer adopts in the absence of theophylline. Moreover, we apply Markov state modeling to predict the kinetics of transitions between unbound conformational states. Our simulation results agree with experimental observations that the theophylline binding site is found in many distinct binding-incompetent states and show that these states lack a binding pocket that can accommodate theophylline. The binding-incompetent states interconvert with binding-competent states through structural rearrangement of the binding site on the nanosecond to microsecond timescale. Moreover, we have simulated the complete theophylline binding pathway. Our binding simulations supplement prior experimental observations of slow theophylline binding kinetics by showing that the binding site must undergo a large conformational rearrangement after the aptamer and theophylline form an initial complex, most notably, a major rearrangement of the C27 base from a buried to solvent-exposed orientation. Theophylline appears to bind by a combination of conformational selection and induced fit mechanisms. Finally, our modeling indicates that when Mg2+ ions are present the population of binding-competent aptamer states increases more than twofold. This population change, rather than direct interactions between Mg2+ and theophylline, accounts for altered theophylline binding kinetics. PMID:28437473

Relative Influence of Initial Surface and Atmospheric Conditions on Seasonal Water and Energy Balances

NASA Technical Reports Server (NTRS)

Oglesby, Robert J.; Marshall, Susan; Roads, John O.; Robertson, Franklin R.; Goodman, H. Michael (Technical Monitor)

2001-01-01

We constructed and analyzed wet and dry soil moisture composites for the mid-latitude GCIP region of the central US using long climate model simulations made with the NCAR CCM3 and reanalysis products from NCEP. Using the diagnostic composites as a guide, we have completed a series of predictability experiments in which we imposed soil water initial conditions in CCM3 for the GCIP region for June 1 from anomalously wet and dry years, with atmospheric initial conditions taken from June 1 of a year with 'near-normal' soil water, and initial soil water from the near-normal year and atmospheric initial conditions from the wet and dry years. Preliminary results indicate that the initial state of the atmosphere is more important than the initial state of soil water determining the subsequent late spring and summer evolution of sod water over the GCIP region. Surprisingly, neither the composites or the predictability experiments yielded a strong influence of soil moisture on the atmosphere. To explore this further, we have made runs with extreme dry soil moisture initial anomalies imposed over the GCIP region (the soil close to being completely dry). These runs did yield a very strong effect on the atmosphere that persisted for at least three months. We conclude that the magnitude of the initial soil moisture anomaly is crucial, at least in CCM3, and are currently investigating whether a threshold exists, below which little impact is seen. In a complementary study, we compared the impact of the initial condition of snow cover versus the initial atmospheric state over the western US (corresponding to the westward extension of the GAPP program follow-on to GCIP). In this case, the initial prescription of snow cover is far more important than the initial atmospheric state in determining the subsequent evolution of snow cover. We are currently working to understand the very different soil water and snow cover results.

Rapid equilibrium sampling initiated from nonequilibrium data.

PubMed

Huang, Xuhui; Bowman, Gregory R; Bacallado, Sergio; Pande, Vijay S

2009-11-24

Simulating the conformational dynamics of biomolecules is extremely difficult due to the rugged nature of their free energy landscapes and multiple long-lived, or metastable, states. Generalized ensemble (GE) algorithms, which have become popular in recent years, attempt to facilitate crossing between states at low temperatures by inducing a random walk in temperature space. Enthalpic barriers may be crossed more easily at high temperatures; however, entropic barriers will become more significant. This poses a problem because the dominant barriers to conformational change are entropic for many biological systems, such as the short RNA hairpin studied here. We present a new efficient algorithm for conformational sampling, called the adaptive seeding method (ASM), which uses nonequilibrium GE simulations to identify the metastable states, and seeds short simulations at constant temperature from each of them to quantitatively determine their equilibrium populations. Thus, the ASM takes advantage of the broad sampling possible with GE algorithms but generally crosses entropic barriers more efficiently during the seeding simulations at low temperature. We show that only local equilibrium is necessary for ASM, so very short seeding simulations may be used. Moreover, the ASM may be used to recover equilibrium properties from existing datasets that failed to converge, and is well suited to running on modern computer clusters.

Water-chromophore electron transfer determines the photochemistry of cytosine and cytidine.

PubMed

Szabla, Rafał; Kruse, Holger; Šponer, Jiří; Góra, Robert W

2017-07-21

Many of the UV-induced phenomena observed experimentally for aqueous cytidine were lacking the mechanistic interpretation for decades. These processes include the substantial population of the puzzling long-lived dark state, photohydration, cytidine to uridine conversion and oxazolidinone formation. Here, we present quantum-chemical simulations of excited-state spectra and potential energy surfaces of N1-methylcytosine clustered with two water molecules using the second-order approximate coupled cluster (CC2), complete active space with second-order perturbation theory (CASPT2), and multireference configuration interaction with single and double excitation (MR-CISD) methods. We argue that the assignment of the long-lived dark state to a singlet nπ* excitation involving water-chromophore electron transfer might serve as an explanation for the numerous experimental observations. While our simulated spectra for the state are in excellent agreement with experimentally acquired data, the electron-driven proton transfer process occurring on the surface may initiate the subsequent damage in the vibrationally hot ground state of the chromophore.

Extending the Operational Envelope of a Turbofan Engine Simulation into the Sub-Idle Region

NASA Technical Reports Server (NTRS)

Chapman, Jeffryes W.; Hamley, Andrew J.; Guo, Ten-Huei; Litt, Jonathan S.

2016-01-01

In many non-linear gas turbine simulations, operation in the sub-idle region can lead to model instability. This paper lays out a method for extending the operational envelope of a map based gas turbine simulation to include the sub-idle region. This method develops a multi-simulation solution where the baseline component maps are extrapolated below the idle level and an alternate model is developed to serve as a safety net when the baseline model becomes unstable or unreliable. Sub-idle model development takes place in two distinct operational areas, windmilling/shutdown and purge/cranking/ startup. These models are based on derived steady state operating points with transient values extrapolated between initial (known) and final (assumed) states. Model transitioning logic is developed to predict baseline model sub-idle instability, and transition smoothly and stably to the backup sub-idle model. Results from the simulation show a realistic approximation of sub-idle behavior as compared to generic sub-idle engine performance that allows the engine to operate continuously and stably from shutdown to full power.

Extending the Operational Envelope of a Turbofan Engine Simulation into the Sub-Idle Region

NASA Technical Reports Server (NTRS)

Chapman, Jeffryes Walter; Hamley, Andrew J.; Guo, Ten-Huei; Litt, Jonathan S.

2016-01-01

In many non-linear gas turbine simulations, operation in the sub-idle region can lead to model instability. This paper lays out a method for extending the operational envelope of a map based gas turbine simulation to include the sub-idle region. This method develops a multi-simulation solution where the baseline component maps are extrapolated below the idle level and an alternate model is developed to serve as a safety net when the baseline model becomes unstable or unreliable. Sub-idle model development takes place in two distinct operational areas, windmilling/shutdown and purge/cranking/startup. These models are based on derived steady state operating points with transient values extrapolated between initial (known) and final (assumed) states. Model transitioning logic is developed to predict baseline model sub-idle instability, and transition smoothly and stably to the backup sub-idle model. Results from the simulation show a realistic approximation of sub-idle behavior as compared to generic sub-idle engine performance that allows the engine to operate continuously and stably from shutdown to full power.

Bravyi-Kitaev Superfast simulation of electronic structure on a quantum computer.

PubMed

Setia, Kanav; Whitfield, James D

2018-04-28

Present quantum computers often work with distinguishable qubits as their computational units. In order to simulate indistinguishable fermionic particles, it is first required to map the fermionic state to the state of the qubits. The Bravyi-Kitaev Superfast (BKSF) algorithm can be used to accomplish this mapping. The BKSF mapping has connections to quantum error correction and opens the door to new ways of understanding fermionic simulation in a topological context. Here, we present the first detailed exposition of the BKSF algorithm for molecular simulation. We provide the BKSF transformed qubit operators and report on our implementation of the BKSF fermion-to-qubits transform in OpenFermion. In this initial study of a hydrogen molecule we have compared BKSF, Jordan-Wigner, and Bravyi-Kitaev transforms under the Trotter approximation. The gate count to implement BKSF is lower than Jordan-Wigner but higher than Bravyi-Kitaev. We considered different orderings of the exponentiated terms and found lower Trotter errors than the previously reported for Jordan-Wigner and Bravyi-Kitaev algorithms. These results open the door to the further study of the BKSF algorithm for quantum simulation.

An equation-free approach to agent-based computation: Bifurcation analysis and control of stationary states

NASA Astrophysics Data System (ADS)

Siettos, C. I.; Gear, C. W.; Kevrekidis, I. G.

2012-08-01

We show how the equation-free approach can be exploited to enable agent-based simulators to perform system-level computations such as bifurcation, stability analysis and controller design. We illustrate these tasks through an event-driven agent-based model describing the dynamic behaviour of many interacting investors in the presence of mimesis. Using short bursts of appropriately initialized runs of the detailed, agent-based simulator, we construct the coarse-grained bifurcation diagram of the (expected) density of agents and investigate the stability of its multiple solution branches. When the mimetic coupling between agents becomes strong enough, the stable stationary state loses its stability at a coarse turning point bifurcation. We also demonstrate how the framework can be used to design a wash-out dynamic controller that stabilizes open-loop unstable stationary states even under model uncertainty.

Mixed-Mode Decohesion Finite Elements for the Simulation of Delamination in Composite Materials

NASA Technical Reports Server (NTRS)

Camanho, Pedro P.; Davila, Carlos G.

2002-01-01

A new decohesion element with mixed-mode capability is proposed and demonstrated. The element is used at the interface between solid finite elements to model the initiation and non-self-similar growth of delaminations. A single relative displacement-based damage parameter is applied in a softening law to track the damage state of the interface and to prevent the restoration of the cohesive state during unloading. The softening law for mixed-mode delamination propagation can be applied to any mode interaction criterion such as the two-parameter power law or the three-parameter Benzeggagh-Kenane criterion. To demonstrate the accuracy of the predictions and the irreversibility capability of the constitutive law, steady-state delamination growth is simulated for quasistatic loading-unloading cycles of various single mode and mixed-mode delamination test specimens.

Evolution de configurations de tourbillons avec les mêmes invariants globaux

NASA Astrophysics Data System (ADS)

Bécu, Emilie; Pavlov, Vadim

2004-10-01

In this Note, we address the question of the evolution of a distribution of N identical localized vortices. Using direct numerical simulation, (here the Runge-Kutta scheme of order 4), together with the localized-vortices model, we show that different initial distributions of vorticity with identical integral invariants may exist. We show that the initial configurations with the same invariants may evolve to totally different quasi-final states. To cite this article: E. Bécu, V. Pavlov, C. R. Mecanique 332 (2004).

TEMPEST simulations of the neoclassical transport in a single-null tokamak geometry

NASA Astrophysics Data System (ADS)

Xu, X. Q.; Cohen, R. H.; Rognlien, T. D.

2009-05-01

TEMPEST simulations were carried out for plasma transport and flow dynamics in a single-null tokamak geometry. The core radial boundary ion distribution is a fixed Maxwellian FM with N0=N(ψ0) and Ti0=Ti(ψ0)=300eV, and exterior radial boundary ion distribution is Neumann boundary condition with Fi(,,μ)/ψ|ψw=0 during a simulation. Given boundary conditions and initial profiles, the interior plasmas in the simulations should evolve into a neoclassical steady state. A volume source term in the private flux region is included, representing the ionization in the private flux region to achieve the neoclassical steady state. A series of TEMPEST simulations are conducted to investigate the scaling characteristics of the neoclassical transport and flow as a function of ν*i via a density scan. Here ν*i is the effective collision frequency, defined by ν*i=&-3/2circ;νii√2qR0/vTi, νii is the ion-ion collision, and vTi the ion thermal velocity. Simulation results show significant poloidal variation of density and ion temperature profiles due to the endloss machanism at the divertor plates. Each region (Edge, the SOL and private flux) achieves the dynamical steady state at its own time scale due to the different physical processes. The impact of self-consistent electric field on transport and flow will be presented.

Factors controlling the initiation of Snowball Earth events

NASA Astrophysics Data System (ADS)

Voigt, A.

2012-12-01

During the Neoproterozoic glaciations tropical continents were covered by active glaciers that extended down to sea level. To explain these glaciers, the Snowball Earth hypothesis assumes that oceans were completely sea-ice covered during these glaciation, but there is an ongoing debate whether or not some regions of the tropical oceans remained open. In this talk, I will describe past and ongoing climate modelling activities with the comprehensive coupled climate model ECHAM5/MPI-OM that identify and compare factors that control the initiation of Snowball Earth events. I first show that shifting the continents from their present-day location to their Marinoan (635 My BP) low-latitude location increases the planetary albedo, cools the climate, and thereby allows Snowball Earth initiation at higher levels of total solar irradiance and atmospheric CO2. I then present simulations with successively lowered bare sea-ice albedo, disabled sea-ice dynamics, and switched-off ocean heat transport. These simulations show that both lowering the bare sea-ice albedo and disabling sea-ice dynamics increase the critical sea-ice cover in ECHAM5/MPI-OM, but sea-ice dynamics due to strong equatorward sea-ice transport have a much larger influence on the critical CO2. Disabling sea-ice transport allows a state with sea-ice margin at 10 deg latitude by virtue of the Jormungand mechanism. The accumulation of snow on land, in combination with tropical land temperatures below or close to freezing, suggests that tropical land glaciers could easily form in such a state. However, in contrast to aquaplanet simulations without ocean heat transport, there is no sign of a Jormungand hysteresis in the coupled simulations. Ocean heat transport is not responsible for the lack of a Jormungand hysteresis in the coupled simulations. By relating the above findings to previous studies, I will outline promising future avenues of research on the initiation of Snowball Earth events. In particular, an improved understanding and modelling of sea-ice dynamics is needed.ea-ice cover as a function of CO2 for ECHAM5/MPI-OM simulations with high bare sea-ice albedo (black circles), low bare sea-ice albedo (blue squares), low bare sea-ice albedo and disabled sea-ice dynamics (red triangles), and low bare sea-ice albedo, disabled sea-ice dynamics and zero ocean heat transport (green diamonds). All simulations use Marinoan low-latitude continents and a solar constant reduced to 94% of its modern value.

Quantifying Uncertainty in Model Predictions for the Pliocene (Plio-QUMP): Initial results

USGS Publications Warehouse

Pope, J.O.; Collins, M.; Haywood, A.M.; Dowsett, H.J.; Hunter, S.J.; Lunt, D.J.; Pickering, S.J.; Pound, M.J.

2011-01-01

Examination of the mid-Pliocene Warm Period (mPWP; ~. 3.3 to 3.0. Ma BP) provides an excellent opportunity to test the ability of climate models to reproduce warm climate states, thereby assessing our confidence in model predictions. To do this it is necessary to relate the uncertainty in model simulations of mPWP climate to uncertainties in projections of future climate change. The uncertainties introduced by the model can be estimated through the use of a Perturbed Physics Ensemble (PPE). Developing on the UK Met Office Quantifying Uncertainty in Model Predictions (QUMP) Project, this paper presents the results from an initial investigation using the end members of a PPE in a fully coupled atmosphere-ocean model (HadCM3) running with appropriate mPWP boundary conditions. Prior work has shown that the unperturbed version of HadCM3 may underestimate mPWP sea surface temperatures at higher latitudes. Initial results indicate that neither the low sensitivity nor the high sensitivity simulations produce unequivocally improved mPWP climatology relative to the standard. Whilst the high sensitivity simulation was able to reconcile up to 6 ??C of the data/model mismatch in sea surface temperatures in the high latitudes of the Northern Hemisphere (relative to the standard simulation), it did not produce a better prediction of global vegetation than the standard simulation. Overall the low sensitivity simulation was degraded compared to the standard and high sensitivity simulations in all aspects of the data/model comparison. The results have shown that a PPE has the potential to explore weaknesses in mPWP modelling simulations which have been identified by geological proxies, but that a 'best fit' simulation will more likely come from a full ensemble in which simulations that contain the strengths of the two end member simulations shown here are combined. ?? 2011 Elsevier B.V.

Supervised chaos genetic algorithm based state of charge determination for LiFePO4 batteries in electric vehicles

NASA Astrophysics Data System (ADS)

Shen, Yanqing

2018-04-01

LiFePO4 battery is developed rapidly in electric vehicle, whose safety and functional capabilities are influenced greatly by the evaluation of available cell capacity. Added with adaptive switch mechanism, this paper advances a supervised chaos genetic algorithm based state of charge determination method, where a combined state space model is employed to simulate battery dynamics. The method is validated by the experiment data collected from battery test system. Results indicate that the supervised chaos genetic algorithm based state of charge determination method shows great performance with less computation complexity and is little influenced by the unknown initial cell state.

Free-energy landscape of intrinsically disordered proteins investigated by all-atom multicanonical molecular dynamics.

PubMed

Higo, Junichi; Umezawa, Koji

2014-01-01

We introduce computational studies on intrinsically disordered proteins (IDPs). Especially, we present our multicanonical molecular dynamics (McMD) simulations of two IDP-partner systems: NRSF-mSin3 and pKID-KIX. McMD is one of enhanced conformational sampling methods useful for conformational sampling of biomolecular systems. IDP adopts a specific tertiary structure upon binding to its partner molecule, although it is unstructured in the unbound state (i.e. the free state). This IDP-specific property is called "coupled folding and binding". The McMD simulation treats the biomolecules with an all-atom model immersed in an explicit solvent. In the initial configuration of simulation, IDP and its partner molecules are set to be distant from each other, and the IDP conformation is disordered. The computationally obtained free-energy landscape for coupled folding and binding has shown that native- and non-native-complex clusters distribute complicatedly in the conformational space. The all-atom simulation suggests that both of induced-folding and population-selection are coupled complicatedly in the coupled folding and binding. Further analyses have exemplified that the conformational fluctuations (dynamical flexibility) in the bound and unbound states are essentially important to characterize IDP functioning.

Atmospheric Ascent Guidance for Rocket-Powered Launch Vehicles

NASA Technical Reports Server (NTRS)

Dukeman, Greg A.

2002-01-01

An advanced ascent guidance algorithm for rocket- powered launch vehicles is developed. This algorithm cyclically solves the calculus-of-variations two-point boundary-value problem starting at vertical rise completion through main engine cutoff. This is different from traditional ascent guidance algorithms which operate in a simple open-loop mode until high dynamic pressure (including the critical max-Q) portion of the trajectory is over, at which time guidance operates under the assumption of negligible aerodynamic acceleration (i.e., vacuum dynamics). The initial costate guess is corrected based on errors in the terminal state constraints and the transversality conditions. Judicious approximations are made to reduce the order and complexity of the state/costate system. Results comparing guided launch vehicle trajectories with POST open-loop trajectories are given verifying the basic formulation of the algorithm. Multiple shooting is shown to be a very effective numerical technique for this application. In particular, just one intermediate shooting point, in addition to the initial shooting point, is sufficient to significantly reduce sensitivity to the guessed initial costates. Simulation results from a high-fidelity trajectory simulation are given for the case of launch to sub-orbital cutoff conditions as well as launch to orbit conditions. An abort to downrange landing site formulation of the algorithm is presented.

A semi-metallic layer in detonating nitromethane

NASA Astrophysics Data System (ADS)

Reed, Evan; Manaa, Riad; Fried, Laurence; Glaesemann, Kurt; Joannopoulos, John

2007-06-01

We present the first ever glimpse behind a detonation front in a chemically reactive quantum molecular dynamics simulation (up to 0.2 ns) of the explosive nitromethane (CH3NO2) represented by the density-functional-based tight-binding method (DFTB). This simulation is enabled by our recently developed multi-scale shock wave molecular dynamics technique (MSST) that opens the door to longer duration simulations by several orders of magnitude. The electronic DOS around the Fermi energy initially increases as metastable material states are produced but then later decreases, perhaps unexpectedly. These changes indicate that the shock front is characterized by an increase in optical thickness followed by a reduction in optical thickness hundreds of picoseconds behind the front, explaining recent experimental observations. We find that a significant population of intermediate metastable molecules are charged and charged species play an important role in the density of states evolution and a possible Mott metal-insulator transition.

Performance simulation of the JPL solar-powered distiller. Part 1: Quasi-steady-state conditions. [for cooling microwave equipment

NASA Technical Reports Server (NTRS)

Yung, C. S.; Lansing, F. L.

1983-01-01

A 37.85 cu m (10,000 gallons) per year (nominal) passive solar powered water distillation system was installed and is operational in the Venus Deep Space Station. The system replaced an old, electrically powered water distiller. The distilled water produced with its high electrical resistivity is used to cool the sensitive microwave equipment. A detailed thermal model was developed to simulate the performance of the distiller and study its sensitivity under varying environment and load conditions. The quasi-steady state portion of the model is presented together with the formulas for heat and mass transfer coefficients used. Initial results indicated that a daily water evaporation efficiency of 30% can be achieved. A comparison made between a full day performance simulation and the actual field measurements gave good agreement between theory and experiment, which verified the model.

Simulation of Initiation in Hexanitrostilbene

NASA Astrophysics Data System (ADS)

Thompson, Aidan; Shan, Tzu-Ray; Yarrington, Cole; Wixom, Ryan

We report on the effect of isolated voids and pairs of nearby voids on hot spot formation, growth and chemical reaction initiation in hexanitrostilbene (HNS) crystals subjected to shock loading. Large-scale, reactive molecular dynamics simulations are performed using the reactive force field (ReaxFF) as implemented in the LAMMPS software. The ReaxFF force field description for HNS has been validated previously by comparing the isothermal equation of state to available diamond anvil cell (DAC) measurements and density function theory (DFT) calculations. Micron-scale molecular dynamics simulations of a supported shockwave propagating in HNS crystal along the [010] orientation are performed (up = 1.25 km/s, Us =4.0 km/s, P = 11GPa.) We compare the effect on hot spot formation and growth rate of isolated cylindrical voids up to 0.1 µm in size with that of two 50nm voids set 100nm apart. Results from the micron-scale atomistic simulations are compared with hydrodynamics simulations. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lock- heed Martin Corporation, for the U.S. DOE National Nuclear Security Administration under Contract DE-AC04-94AL85000.

Kalman filter with a linear state model for PDR+WLAN positioning and its application to assisting a particle filter

NASA Astrophysics Data System (ADS)

Raitoharju, Matti; Nurminen, Henri; Piché, Robert

2015-12-01

Indoor positioning based on wireless local area network (WLAN) signals is often enhanced using pedestrian dead reckoning (PDR) based on an inertial measurement unit. The state evolution model in PDR is usually nonlinear. We present a new linear state evolution model for PDR. In simulated-data and real-data tests of tightly coupled WLAN-PDR positioning, the positioning accuracy with this linear model is better than with the traditional models when the initial heading is not known, which is a common situation. The proposed method is computationally light and is also suitable for smoothing. Furthermore, we present modifications to WLAN positioning based on Gaussian coverage areas and show how a Kalman filter using the proposed model can be used for integrity monitoring and (re)initialization of a particle filter.

Accounting for disturbance history in models: using remote sensing to constrain carbon and nitrogen pool spin-up.

PubMed

Hanan, Erin J; Tague, Christina; Choate, Janet; Liu, Mingliang; Kolden, Crystal; Adam, Jennifer

2018-03-24

Disturbances such as wildfire, insect outbreaks, and forest clearing, play an important role in regulating carbon, nitrogen, and hydrologic fluxes in terrestrial watersheds. Evaluating how watersheds respond to disturbance requires understanding mechanisms that interact over multiple spatial and temporal scales. Simulation modeling is a powerful tool for bridging these scales; however, model projections are limited by uncertainties in the initial state of plant carbon and nitrogen stores. Watershed models typically use one of two methods to initialize these stores: spin-up to steady state or remote sensing with allometric relationships. Spin-up involves running a model until vegetation reaches equilibrium based on climate. This approach assumes that vegetation across the watershed has reached maturity and is of uniform age, which fails to account for landscape heterogeneity and non-steady-state conditions. By contrast, remote sensing, can provide data for initializing such conditions. However, methods for assimilating remote sensing into model simulations can also be problematic. They often rely on empirical allometric relationships between a single vegetation variable and modeled carbon and nitrogen stores. Because allometric relationships are species- and region-specific, they do not account for the effects of local resource limitation, which can influence carbon allocation (to leaves, stems, roots, etc.). To address this problem, we developed a new initialization approach using the catchment-scale ecohydrologic model RHESSys. The new approach merges the mechanistic stability of spin-up with the spatial fidelity of remote sensing. It uses remote sensing to define spatially explicit targets for one or several vegetation state variables, such as leaf area index, across a watershed. The model then simulates the growth of carbon and nitrogen stores until the defined targets are met for all locations. We evaluated this approach in a mixed pine-dominated watershed in central Idaho, and a chaparral-dominated watershed in southern California. In the pine-dominated watershed, model estimates of carbon, nitrogen, and water fluxes varied among methods, while the target-driven method increased correspondence between observed and modeled streamflow. In the chaparral watershed, where vegetation was more homogeneously aged, there were no major differences among methods. Thus, in heterogeneous, disturbance-prone watersheds, the target-driven approach shows potential for improving biogeochemical projections. © 2018 by the Ecological Society of America.

Monte-Carlo Event Generators for Jet Modification in d(p)-A and A-A Collisions

NASA Astrophysics Data System (ADS)

Kordell, Michael C., III

This work outlines methods to use jet simulations to study both initial and final state nuclear effects in heavy-ion collisions. To study the initial state of heavy-ion collisions, the production of jets and high momentum hadrons from jets, produced in deuteron (d)-Au collisions at the relativistic heavy-ion collider (RHIC) and proton (p)- Pb collisions at the large hadron collider (LHC) are studied as a function of centrality, a measure of the impact parameter of the collision. A modified version of the event generator PYTHIA, widely used to simulate p-p collisions, is used in conjunction with a nuclear Monte-Carlo event generator which simulates the locations of the nucleons within a large nucleus. It is demonstrated how events with a hard jet may be simulated, in such a way that the parton distribution function of the projectile is frozen during its interaction with the extended nucleus. Using this approach, it is demonstrated that the puzzling enhancement seen in peripheral events at RHIC and the LHC, as well as the suppression seen in central events at the LHC are mainly due to mis-binning of central and semi-central events, containing a jet, as peripheral events. This occurs due to the suppression of soft particle production away from the jet, caused by the depletion of energy available in a nucleon of the deuteron (in d-Au at RHIC) or in the proton (in p-Pb at LHC), after the production of a hard jet. In conclusion, partonic correlations built out of simple energy conservation are responsible for such an effect, though these are sampled at the hard scale of jet production and, as such, represent smaller states. To study final state nuclear effects, the modification of hard jets in the Quark Gluon Plasma (QGP) is simulated using the MATTER event generator. Based on the higher twist formalism of energy loss, the MATTER event generator simulates the evolution of highly virtual partons through a medium. These partons sampled from an underlying PYTHIA kernel undergo splitting through a combination of vacuum and medium induced emission. The momentum exchange with the medium is simulated via the jet transport coefficient q̂, which is assumed to scale with the entropy density at a given location in the medium. The entropy density is obtained from a relativistic viscous fluid dynamics simulation (VISH2+1D) in 2+1 space time dimensions. Results for jet and hadron observables are presented using an independent fragmentation model.

A tractable prescription for large-scale free flight expansion of wavefunctions

NASA Astrophysics Data System (ADS)

Deuar, P.

2016-11-01

A numerical recipe is given for obtaining the density image of an initially compact quantum mechanical wavefunction that has expanded by a large but finite factor under free flight. The recipe given avoids the memory storage problems that plague this type of calculation by reducing the problem to the sum of a number of fast Fourier transforms carried out on the relatively small initial lattice. The final expanded state is given exactly on a coarser magnified grid with the same number of points as the initial state. An important application of this technique is the simulation of measured time-of-flight images in ultracold atom experiments, especially when the initial clouds contain superfluid defects. It is shown that such a finite-time expansion, rather than a far-field approximation is essential to correctly predict images of defect-laden clouds, even for long flight times. Examples shown are: an expanding quasicondensate with soliton defects and a matter-wave interferometer in 3D.

Mirrored continuum and molecular scale simulations of the ignition of gamma phase RDX

NASA Astrophysics Data System (ADS)

Stewart, D. Scott; Chaudhuri, Santanu; Joshi, Kaushik; Lee, Kiabek

2015-06-01

We consider the ignition of a high-pressure gamma-phase of an explosive crystal of RDX which forms during overdriven shock initiation. Molecular dynamics (MD), with first-principles based or reactive force field based molecular potentials, provides a description of the chemistry as an extremely complex reaction network. The results of the molecular simulation is analyzed by sorting molecular product fragments into high and low molecular groups, to represent identifiable components that can be interpreted by a continuum model. A continuum model based on a Gibbs formulation, that has a single temperature and stress state for the mixture is used to represent the same RDX material and its chemistry. Each component in the continuum model has a corresponding Gibbs continuum potential, that are in turn inferred from molecular MD informed equation of state libraries such as CHEETAH, or are directly simulated by Monte Carlo MD simulations. Information about transport, kinetic rates and diffusion are derived from the MD simulation and the growth of a reactive hot spot in the RDX is studied with both simulations that mirror the other results to provide an essential, continuum/atomistic link. Supported by N000014-12-1-0555, subaward-36561937 (ONR).

Orbiter aborts from boost: Presimulation report

NASA Technical Reports Server (NTRS)

Backman, H. D.; Brechka, K. G.

1972-01-01

A description of a hybrid simulation of the 040C orbiter aborting from boost to specified landing site is provided. The simulation starts when the abort is initiated and continues until a terminal energy state (associated with the selected landing site) is reached. At abort it is assumed that all SRM's are jettisoned with the external tank remaining with the orbiter. The simulation described has six degrees of freedom with the vehicle simulated as a rigid body. A conventional form of autopilot is provided to control engine gimbaling during powered flight. An ideal form of an autopilot is provided to test conventional autopilot function and provide pseudo RCS function during coasting flight. The simulation is proposed to provide means for studies of abort guidance function and to gain information concerning ability to control the abort trajectory.

Crash Models for Advanced Automotive Batteries: A Review of the Current State of the Art

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

Turner, John A.; Allu, Srikanth; Gorti, Sarma B.

Safety is a critical aspect of lithium-ion (Li-ion) battery design. Impact/crash conditions can trigger a complex interplay of mechanical contact, heat generation and electrical discharge, which can result in adverse thermal events. The cause of these thermal events has been linked to internal contact between the opposite electrodes, i.e. internal short circuit. The severity of the outcome is influenced by the configuration of the internal short circuit and the battery state. Different loading conditions and battery states may lead to micro (soft) shorts where material burnout due to generated heat eliminates contact between the electrodes, or persistent (hard) shorts whichmore » can lead to more significant thermal events and potentially damage the entire battery system and beyond. Experimental characterization of individual battery components for the onset of internal shorts is limited, since it is impractical to canvas all possible variations in battery state of charge, operating conditions, and impact loading in a timely manner. This report provides a survey of modeling and simulation approaches and documents a project initiated and funded by DOT/NHTSA to improve modeling and simulation capabilities in order to design tests that provide leading indicators of failure in batteries. In this project, ORNL has demonstrated a computational infrastructure to conduct impact simulations of Li-ion batteries using models that resolve internal structures and electro-thermo-chemical and mechanical conditions. Initial comparisons to abuse experiments on cells and cell strings conducted at ORNL and Naval Surface Warfare Center (NSWC) at Carderock MD for parameter estimation and model validation have been performed. This research has provided insight into the mechanisms of deformation in batteries (both at cell and electrode level) and their relationship to the safety of batteries.« less

Multitime correlation functions in nonclassical stochastic processes

NASA Astrophysics Data System (ADS)

Krumm, F.; Sperling, J.; Vogel, W.

2016-06-01

A general method is introduced for verifying multitime quantum correlations through the characteristic function of the time-dependent P functional that generalizes the Glauber-Sudarshan P function. Quantum correlation criteria are derived which identify quantum effects for an arbitrary number of points in time. The Magnus expansion is used to visualize the impact of the required time ordering, which becomes crucial in situations when the interaction problem is explicitly time dependent. We show that the latter affects the multi-time-characteristic function and, therefore, the temporal evolution of the nonclassicality. As an example, we apply our technique to an optical parametric process with a frequency mismatch. The resulting two-time-characteristic function yields full insight into the two-time quantum correlation properties of such a system.

Thermal contact through a two-temperature kinetic Ising chain

NASA Astrophysics Data System (ADS)

Bauer, M.; Cornu, F.

2018-05-01

We consider a model for thermal contact through a diathermal interface between two macroscopic bodies at different temperatures: an Ising spin chain with nearest neighbor interactions is endowed with a Glauber dynamics with different temperatures and kinetic parameters on alternating sites. The inhomogeneity of the kinetic parameter is a novelty with respect to the model of Racz and Zia (1994 Phys. Rev. E 49 139), and we exhibit its influence upon the stationary non equilibrium values of the two-spin correlations at any distance. By mapping to the dynamics of spin domain walls and using free fermion techniques, we determine the scaled generating function for the cumulants of the exchanged heat amounts per unit of time in the long time limit.

Prediction of Spatiotemporal Patterns of Neural Activity from Pairwise Correlations

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

Marre, O.; El Boustani, S.; Fregnac, Y.

We designed a model-based analysis to predict the occurrence of population patterns in distributed spiking activity. Using a maximum entropy principle with a Markovian assumption, we obtain a model that accounts for both spatial and temporal pairwise correlations among neurons. This model is tested on data generated with a Glauber spin-glass system and is shown to correctly predict the occurrence probabilities of spatiotemporal patterns significantly better than Ising models only based on spatial correlations. This increase of predictability was also observed on experimental data recorded in parietal cortex during slow-wave sleep. This approach can also be used to generate surrogatesmore » that reproduce the spatial and temporal correlations of a given data set.« less

Measurements of Reaction Cross Sections for 9-11C

NASA Astrophysics Data System (ADS)

Nishizuka, Kenji; Takechi, Maya; Ohtsubo, Takashi; Nishimura, Daiki; Fukuda, Mitsunori; Aoki, Kazuya; Abe, Keijiro; Ikeda, Ayaka; Izumikawa, Takuji; Oikawa, Hiroyuki; Ohnishi, Kosuke; Ohno, Junichi; Ohmika, Shunichiro; Kato, Ikuma; Kanke, Yuki; Kanbe, Shunsuke; Kanda, Naoto; Kikuchi, Haruka; Kitagawa, Atsushi; Sato, Shinji; Sayama, Umito; Shimaya, Jiro; Sugihara, Takanobu; Suzuki, Shinji; Suzuki, Takeshi; Takahashi, Hiroki; Taguchi, Yoshisada; Takei, Yuki; Takeuchi, Yuki; Takenouchi, Arashi; Takemoto, Takanori; Tadano, Natsuki; Tanaka, Masaomi; Tanaka, Yutaro; Chikaato, Kazuya; Du, Hang; Nagai, Takumi; Nagumo, Junya; Fukuda, Shigekazu; Hori, Kensyu; Honma, Akira; Machida, Masahiro; Matsunaga, Satoshi; Mizukami, Atsushi; Mihara, Mototsugu; Miyata, Eri; Murooka, Daiki; Yagi, Shoichi; Yamaoka, Shintaro; Yamaguchi, Takayuki; Yokoyama, Kouhei

In order to probe the differences of matter and charge radii of atomic nucleus in the proton-rich C isotopes, measurements of reaction cross sections (σR) for 9-11C on proton targets in the energy range from 50 to 120A MeV were performed at HIMAC facility, NIRS. Owing to the large differences between proton-proton and proton-neutron scattering cross sections at this intermediate energy region, σR data for atomic nuclei on proton targets are expected to have the sensitivity to the differences between proton and neutron distributions in the nucleus. Present preliminary data are compared with the Glauber calculation, which suggest the larger enhancements of proton distributions in 9C and 10C compared to 11C.

Nuclear structure and reaction properties of Ne, Mg and Si isotopes with RMF densities

NASA Astrophysics Data System (ADS)

Panda, R. N.; Sharma, Mahesh K.; Patra, S. K.

2014-01-01

We have studied nuclear structure and reaction properties of Ne, Mg and Si isotopes, using relativistic mean field (RMF) densities, in the framework of Glauber model. Total reaction cross-section σR for Ne isotopes on 12C target have been calculated at incident energy 240 MeV. The results are compared with the experimental data and with the recent theoretical study [W. Horiuchi et al., Phys. Rev. C 86, 024614 (2012)]. Study of σR using deformed densities have shown a good agreement with the data. We have also predicted total reaction cross-section σR for Ne, Mg and Si isotopes as projectiles and 12C as target at different incident energies.

Nuclear annihilation by antinucleons

DOE PAGES

Lee, Teck-Ghee; Wong, Cheuk-Yin

2016-01-25

We examine the momentum dependence ofmore » $$\\bar{p}$$p and $$\\bar{n}$$p annihilation cross sections by considering the transmission through a nuclear potential and the $$\\bar {p}$$p Coulomb interaction. Compared to the $$\\bar{n}$$p annihilation cross section, the $$\\bar{p}$$p annihilation cross section is significantly enhanced by the Coulomb interaction for projectile momenta below p lab < 500 MeV/c, and the two annihilation cross sections approach the Pomeranchuk's equality limit [JETP 30, 423 (1956)] at p lab ~500 MeV/c. Using these elementary cross sections as the basic input data, the extended Glauber model is employed to evaluate the annihilation cross sections for $$\\bar{n}$$ and $$\\bar{p}$$ interaction with nuclei and the results compare well with experimental data.« less

Discovery and problem solving: Triangulation as a weak heuristic

NASA Technical Reports Server (NTRS)

Rochowiak, Daniel

1987-01-01

Recently the artificial intelligence community has turned its attention to the process of discovery and found that the history of science is a fertile source for what Darden has called compiled hindsight. Such hindsight generates weak heuristics for discovery that do not guarantee that discoveries will be made but do have proven worth in leading to discoveries. Triangulation is one such heuristic that is grounded in historical hindsight. This heuristic is explored within the general framework of the BACON, GLAUBER, STAHL, DALTON, and SUTTON programs. In triangulation different bases of information are compared in an effort to identify gaps between the bases. Thus, assuming that the bases of information are relevantly related, the gaps that are identified should be good locations for discovery and robust analysis.

Knockout and fragmentation reactions using a broad range of tin isotopes

NASA Astrophysics Data System (ADS)

Rodríguez-Sánchez, J. L.; Benlliure, J.; Bertulani, C. A.; Vargas, J.; Ayyad, Y.; Alvarez-Pol, H.; Atkinson, J.; Aumann, T.; Beceiro-Novo, S.; Boretzky, K.; Caamaño, M.; Casarejos, E.; Cortina-Gil, D.; Díaz-Cortes, J.; Fernández, P. Díaz; Estrade, A.; Geissel, H.; Kelić-Heil, A.; Litvinov, Yu. A.; Mostazo, M.; Paradela, C.; Pérez-Loureiro, D.; Pietri, S.; Prochazka, A.; Takechi, M.; Weick, H.; Winfield, J. S.

2017-09-01

Production cross sections of residual nuclei obtained by knockout and fragmentation reactions of different tin isotopes accelerated at 1 A GeV have been measured with the fragment separator (FRS) at GSI, Darmstadt. The new measurements are used to investigate the neutron-excess dependence of the neutron- and proton-knockout cross sections. These cross sections are compared to Glauber model calculations coupled to a nuclear de-excitation code in order to investigate the role of the remnant excitations. This bench marking shows an overestimation of the cross sections for the removal of deeply bound nucleons. A phenomenological increase in the excitation energy induced in the remnants produced in these cases allows us to reproduce the measured cross sections.

Understanding Uncertainties and Biases in Jet Quenching in High-Energy Nucleus-Nucleus Collisions

NASA Astrophysics Data System (ADS)

Heinz, Matthias

2017-09-01

Jets are the collimated streams of particles resulting from hard scattering in the initial state of high-energy collisions. In heavy-ion collisions, jets interact with the quark-gluon plasma (QGP) before freezeout, providing a probe into the internal structure and properties of the QGP. In order to study jets, background must be subtracted from the measured event, potentially introducing a bias. We aim to understand quantify this subtraction bias. PYTHIA, a library to simulate pure jet events, is used to simulate a model for a signature with one pure jet (a photon) and one quenched jet, where all quenched particle momenta are reduced by the same fraction. Background for the event is simulated using multiplicity values generated by the TRENTO initial state model of heavy-ion collisions fed into a thermal model from which to sample particle types and a 3-dimensional Boltzmann distribution from which to sample particle momenta. Data from the simulated events is used to train a statistical model, which computes a posterior distribution of the quench factor for a data set. The model was tested first on pure jet events and later on full events including the background. This model will allow for a quantitative determination of biases induced by various methods of background subtraction. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Initial results on fault diagnosis of DSN antenna control assemblies using pattern recognition techniques

NASA Technical Reports Server (NTRS)

Smyth, P.; Mellstrom, J.

1990-01-01

Initial results obtained from an investigation using pattern recognition techniques for identifying fault modes in the Deep Space Network (DSN) 70 m antenna control loops are described. The overall background to the problem is described, the motivation and potential benefits of this approach are outlined. In particular, an experiment is described in which fault modes were introduced into a state-space simulation of the antenna control loops. By training a multilayer feed-forward neural network on the simulated sensor output, classification rates of over 95 percent were achieved with a false alarm rate of zero on unseen tests data. It concludes that although the neural classifier has certain practical limitations at present, it also has considerable potential for problems of this nature.

Time-Dependent Hartree-Fock Approach to Nuclear Pasta at Finite Temperature

NASA Astrophysics Data System (ADS)

Schuetrumpf, B.; Klatt, M. A.; Iida, K.; Maruhn, J. A.; Mecke, K.; Reinhard, P.-G.

2013-03-01

We present simulations of neutron-rich matter at subnuclear densities, like supernova matter, with the time-dependent Hartree-Fock approximation at temperatures of several MeV. The initial state consists of α particles randomly distributed in space that have a Maxwell-Boltzmann distribution in momentum space. Adding a neutron background initialized with Fermi distributed plane waves the calculations reflect a reasonable approximation of astrophysical matter. This matter evolves into spherical, rod-like, and slab-like shapes and mixtures thereof. The simulations employ a full Skyrme interaction in a periodic three-dimensional grid. By an improved morphological analysis based on Minkowski functionals, all eight pasta shapes can be uniquely identified by the sign of only two valuations, namely the Euler characteristic and the integral mean curvature.

Algorithms for Autonomous GPS Orbit Determination and Formation Flying: Investigation of Initialization Approaches and Orbit Determination for HEO

NASA Technical Reports Server (NTRS)

Axelrad, Penina; Speed, Eden; Leitner, Jesse A. (Technical Monitor)

2002-01-01

This report summarizes the efforts to date in processing GPS measurements in High Earth Orbit (HEO) applications by the Colorado Center for Astrodynamics Research (CCAR). Two specific projects were conducted; initialization of the orbit propagation software, GEODE, using nominal orbital elements for the IMEX orbit, and processing of actual and simulated GPS data from the AMSAT satellite using a Doppler-only batch filter. CCAR has investigated a number of approaches for initialization of the GEODE orbit estimator with little a priori information. This document describes a batch solution approach that uses pseudorange or Doppler measurements collected over an orbital arc to compute an epoch state estimate. The algorithm is based on limited orbital element knowledge from which a coarse estimate of satellite position and velocity can be determined and used to initialize GEODE. This algorithm assumes knowledge of nominal orbital elements, (a, e, i, omega, omega) and uses a search on time of perigee passage (tau(sub p)) to estimate the host satellite position within the orbit and the approximate receiver clock bias. Results of the method are shown for a simulation including large orbital uncertainties and measurement errors. In addition, CCAR has attempted to process GPS data from the AMSAT satellite to obtain an initial estimation of the orbit. Limited GPS data have been received to date, with few satellites tracked and no computed point solutions. Unknown variables in the received data have made computations of a precise orbit using the recovered pseudorange difficult. This document describes the Doppler-only batch approach used to compute the AMSAT orbit. Both actual flight data from AMSAT, and simulated data generated using the Satellite Tool Kit and Goddard Space Flight Center's Flight Simulator, were processed. Results for each case and conclusion are presented.

Miscible gravitational instability of initially stable horizontal interface in a porous medium: Non-monotonic density profiles

NASA Astrophysics Data System (ADS)

Kim, Min Chan

2014-11-01

To simulate a CO2 sequestration process, some researchers employed a water/propylene glycol (PPG) system which shows a non-monotonic density profile. Motivated by this fact, the stability of the diffusion layer of two miscible fluids saturated in a porous medium is analyzed. For a non-monotonic density profile system, linear stability equations are derived in a global domain, and then transformed into a system of ordinary differential equations in an infinite domain. Initial growth rate analysis is conducted without the quasi-steady state approximation (QSSA) and shows that initially the system is unconditionally stable for the least stable disturbance. For the time evolving case, the ordinary differential equations are solved applying the eigen-analysis and numerical shooting scheme with and without the QSSA. To support these theoretical results, direct numerical simulations are conducted using the Fourier spectral method. The results of theoretical linear stability analyses and numerical simulations validate one another. The present linear and nonlinear analyses show that the water/PPG system is more unstable than the CO2/brine one, and the flow characteristics of these two systems are quite different from each other.

Shock and Laser Induced Non-Equilibrium Chemistry in Molecular Energetics

NASA Astrophysics Data System (ADS)

Wood, Mitchell; Cherukara, Mathew; Kober, Edward; Strachan, Alejandro

2015-06-01

In this study, we have used large scale reactive molecular dynamics (MD) simulations to study how contrasting initiation mechanisms from either shock or electromagnetic insults compare to traditional thermal initiation. We will show how insults of equal strength but different character can yield vastly different reaction profiles and thus the evolution of hot-spots. For shocked RDX (Up = 2km/s), we find that the collapse of a cylindrical 40 nm diameter pore leads to a significant amount of non-equilibrium reactions followed by the formation of a sustained deflagration wave. In contrast, a hot spot that is seeded into a statically compressed crystal with matching size and temperature will quench over the same timescale, highlighting the importance of insult type. Furthermore, MD simulations of electromagnetic insults coupled to intramolecular vibrations have shown, in some cases, mode specific initial chemistry and altered kinetics of the subsequent decomposition. By leveraging spectroscopic and chemical information gathered in our MD simulations, we have been able to identify and track non-equilibrium vibrational states of these materials and correlate them to these observed changes. Implications of insult dependent reactivity and non-equilibrium chemistry will be discussed.

Decadal climate prediction in the large ensemble limit

NASA Astrophysics Data System (ADS)

Yeager, S. G.; Rosenbloom, N. A.; Strand, G.; Lindsay, K. T.; Danabasoglu, G.; Karspeck, A. R.; Bates, S. C.; Meehl, G. A.

2017-12-01

In order to quantify the benefits of initialization for climate prediction on decadal timescales, two parallel sets of historical simulations are required: one "initialized" ensemble that incorporates observations of past climate states and one "uninitialized" ensemble whose internal climate variations evolve freely and without synchronicity. In the large ensemble limit, ensemble averaging isolates potentially predictable forced and internal variance components in the "initialized" set, but only the forced variance remains after averaging the "uninitialized" set. The ensemble size needed to achieve this variance decomposition, and to robustly distinguish initialized from uninitialized decadal predictions, remains poorly constrained. We examine a large ensemble (LE) of initialized decadal prediction (DP) experiments carried out using the Community Earth System Model (CESM). This 40-member CESM-DP-LE set of experiments represents the "initialized" complement to the CESM large ensemble of 20th century runs (CESM-LE) documented in Kay et al. (2015). Both simulation sets share the same model configuration, historical radiative forcings, and large ensemble sizes. The twin experiments afford an unprecedented opportunity to explore the sensitivity of DP skill assessment, and in particular the skill enhancement associated with initialization, to ensemble size. This talk will highlight the benefits of a large ensemble size for initialized predictions of seasonal climate over land in the Atlantic sector as well as predictions of shifts in the likelihood of climate extremes that have large societal impact.

Mesoscale Simulations of a Florida Sea Breeze Using the PLACE Land Surface Model Coupled to a 1.5-Order Turbulence Parameterization

NASA Technical Reports Server (NTRS)

Lynn, Barry H.; Stauffer, David R.; Wetzel, Peter J.; Tao, Wei-Kuo; Perlin, Natal; Baker, R. David; Munoz, Ricardo; Boone, Aaron; Jia, Yiqin

1999-01-01

A sophisticated land-surface model, PLACE, the Parameterization for Land Atmospheric Convective Exchange, has been coupled to a 1.5-order turbulent kinetic energy (TKE) turbulence sub-model. Both have been incorporated into the Penn State/National Center for Atmospheric Research (PSU/NCAR) mesoscale model MM5. Such model improvements should have their greatest effect in conditions where surface contrasts dominate over dynamic processes, such as the simulation of warm-season, convective events. A validation study used the newly coupled model, MM5 TKE-PLACE, to simulate the evolution of Florida sea-breeze moist convection during the Convection and Precipitation Electrification Experiment (CaPE). Overall, eight simulations tested the sensitivity of the MM5 model to combinations of the new and default model physics, and initialization of soil moisture and temperature. The TKE-PLACE model produced more realistic surface sensible heat flux, lower biases for surface variables, more realistic rainfall, and cloud cover than the default model. Of the 8 simulations with different factors (i.e., model physics or initialization), TKE-PLACE compared very well when each simulation was ranked in terms of biases of the surface variables and rainfall, and percent and root mean square of cloud cover. A factor separation analysis showed that a successful simulation required the inclusion of a multi-layered, land surface soil vegetation model, realistic initial soil moisture, and higher order closure of the planetary boundary layer (PBL). These were needed to realistically model the effect of individual, joint, and synergistic contributions from the land surface and PBL on the CAPE sea-breeze, Lake Okeechobee lake breeze, and moist convection.

Excited state X-ray absorption spectroscopy: Probing both electronic and structural dynamics

NASA Astrophysics Data System (ADS)

Neville, Simon P.; Averbukh, Vitali; Ruberti, Marco; Yun, Renjie; Patchkovskii, Serguei; Chergui, Majed; Stolow, Albert; Schuurman, Michael S.

2016-10-01

We investigate the sensitivity of X-ray absorption spectra, simulated using a general method, to properties of molecular excited states. Recently, Averbukh and co-workers [M. Ruberti et al., J. Chem. Phys. 140, 184107 (2014)] introduced an efficient and accurate L 2 method for the calculation of excited state valence photoionization cross-sections based on the application of Stieltjes imaging to the Lanczos pseudo-spectrum of the algebraic diagrammatic construction (ADC) representation of the electronic Hamiltonian. In this paper, we report an extension of this method to the calculation of excited state core photoionization cross-sections. We demonstrate that, at the ADC(2)x level of theory, ground state X-ray absorption spectra may be accurately reproduced, validating the method. Significantly, the calculated X-ray absorption spectra of the excited states are found to be sensitive to both geometric distortions (structural dynamics) and the electronic character (electronic dynamics) of the initial state, suggesting that core excitation spectroscopies will be useful probes of excited state non-adiabatic dynamics. We anticipate that the method presented here can be combined with ab initio molecular dynamics calculations to simulate the time-resolved X-ray spectroscopy of excited state molecular wavepacket dynamics.

From Discrete to Continuous Process Simulation in Classical Thermodynamics: Irreversible Expansions of Ideal Monatomic Gases

ERIC Educational Resources Information Center

Álvarez-Rúa, Carmen; Borge, Javier

2016-01-01

Thermodynamic processes are complex phenomena that can be understood as a set of successive stages. When treating processes, classical thermodynamics (and most particularly, the Gibbsian formulation, predominantly used in chemistry) only pays attention to initial and final states. However, reintroducing the notion of process is absolutely…

Operational Model Evaluation for Particulate Matter in Europe and North America in the Context of the AQMEII Project

EPA Science Inventory

Ten state-of-the-science regional air quality (AQ) modeling systems have been applied to continental scale domains in North America and Europe for full-year simulations of 2006 in the context of Air Quality Model Evaluation International Initiative (AQMEII), whose main goals are ...

Numerical Simulation of Unsteady Separated Flows.

DTIC Science & Technology

1987-06-01

circulation with time, evolution of the wake, etc.) 11) Ch- eck thie flow conditions to determine the state of the calculations: a) if Vi - V) > 0.2 repeat...1-174. 139 INITIAL DISTRIBUTION LIST No. copies L D f’ense Techn ical Information Center Cameron Station AVexar Iria. VA 22304-6145 2. Library. Code

Neuromechanic: a computational platform for simulation and analysis of the neural control of movement

PubMed Central

Bunderson, Nathan E.; Bingham, Jeffrey T.; Sohn, M. Hongchul; Ting, Lena H.; Burkholder, Thomas J.

2015-01-01

Neuromusculoskeletal models solve the basic problem of determining how the body moves under the influence of external and internal forces. Existing biomechanical modeling programs often emphasize dynamics with the goal of finding a feed-forward neural program to replicate experimental data or of estimating force contributions or individual muscles. The computation of rigid-body dynamics, muscle forces, and activation of the muscles are often performed separately. We have developed an intrinsically forward computational platform (Neuromechanic, www.neuromechanic.com) that explicitly represents the interdependencies among rigid body dynamics, frictional contact, muscle mechanics, and neural control modules. This formulation has significant advantages for optimization and forward simulation, particularly with application to neural controllers with feedback or regulatory features. Explicit inclusion of all state dependencies allows calculation of system derivatives with respect to kinematic states as well as muscle and neural control states, thus affording a wealth of analytical tools, including linearization, stability analyses and calculation of initial conditions for forward simulations. In this review, we describe our algorithm for generating state equations and explain how they may be used in integration, linearization and stability analysis tools to provide structural insights into the neural control of movement. PMID:23027632

Extending the range of real time density matrix renormalization group simulations

NASA Astrophysics Data System (ADS)

Kennes, D. M.; Karrasch, C.

2016-03-01

We discuss a few simple modifications to time-dependent density matrix renormalization group (DMRG) algorithms which allow to access larger time scales. We specifically aim at beginners and present practical aspects of how to implement these modifications within any standard matrix product state (MPS) based formulation of the method. Most importantly, we show how to 'combine' the Schrödinger and Heisenberg time evolutions of arbitrary pure states | ψ 〉 and operators A in the evaluation of 〈A〉ψ(t) = 〈 ψ | A(t) | ψ 〉 . This includes quantum quenches. The generalization to (non-)thermal mixed state dynamics 〈A〉ρ(t) =Tr [ ρA(t) ] induced by an initial density matrix ρ is straightforward. In the context of linear response (ground state or finite temperature T > 0) correlation functions, one can extend the simulation time by a factor of two by 'exploiting time translation invariance', which is efficiently implementable within MPS DMRG. We present a simple analytic argument for why a recently-introduced disentangler succeeds in reducing the effort of time-dependent simulations at T > 0. Finally, we advocate the python programming language as an elegant option for beginners to set up a DMRG code.

Neuromechanic: a computational platform for simulation and analysis of the neural control of movement.

PubMed

Bunderson, Nathan E; Bingham, Jeffrey T; Sohn, M Hongchul; Ting, Lena H; Burkholder, Thomas J

2012-10-01

Neuromusculoskeletal models solve the basic problem of determining how the body moves under the influence of external and internal forces. Existing biomechanical modeling programs often emphasize dynamics with the goal of finding a feed-forward neural program to replicate experimental data or of estimating force contributions or individual muscles. The computation of rigid-body dynamics, muscle forces, and activation of the muscles are often performed separately. We have developed an intrinsically forward computational platform (Neuromechanic, www.neuromechanic.com) that explicitly represents the interdependencies among rigid body dynamics, frictional contact, muscle mechanics, and neural control modules. This formulation has significant advantages for optimization and forward simulation, particularly with application to neural controllers with feedback or regulatory features. Explicit inclusion of all state dependencies allows calculation of system derivatives with respect to kinematic states and muscle and neural control states, thus affording a wealth of analytical tools, including linearization, stability analyses and calculation of initial conditions for forward simulations. In this review, we describe our algorithm for generating state equations and explain how they may be used in integration, linearization, and stability analysis tools to provide structural insights into the neural control of movement. Copyright © 2012 John Wiley & Sons, Ltd.

Regional Air Quality forecAST (RAQAST) Over the U.S

NASA Astrophysics Data System (ADS)

Yoshida, Y.; Choi, Y.; Zeng, T.; Wang, Y.

2005-12-01

A regional chemistry and transport modeling system is used to provide 48-hour forecast of the concentrations of ozone and its precursors over the United States. Meteorological forecast is conducted using the NCAR/Penn State MM5 model. The regional chemistry and transport model simulates the sources, transport, chemistry, and deposition of 24 chemical tracers. The lateral and upper boundary conditions of trace gas concentrations are specified using the monthly mean output from the global GEOS-CHEM model. The initial and boundary conditions for meteorological fields are taken from the NOAA AVN forecast. The forecast has been operational since August, 2003. Model simulations are evaluated using surface, aircraft, and satellite measurements in the A'hindcast' mode. The next step is an automated forecast evaluation system.

Quantum predictions for an unmeasured system cannot be simulated with a finite-memory classical system

NASA Astrophysics Data System (ADS)

Tavakoli, Armin; Cabello, Adán

2018-03-01

We consider an ideal experiment in which unlimited nonprojective quantum measurements are sequentially performed on a system that is initially entangled with a distant one. At each step of the sequence, the measurements are randomly chosen between two. However, regardless of which measurement is chosen or which outcome is obtained, the quantum state of the pair always remains entangled. We show that the classical simulation of the reduced state of the distant system requires not only unlimited rounds of communication, but also that the distant system has infinite memory. Otherwise, a thermodynamical argument predicts heating at a distance. Our proposal can be used for experimentally ruling out nonlocal finite-memory classical models of quantum theory.

Quantitative, steady-state properties of Catania's computational model of the operant reserve.

PubMed

Berg, John P; McDowell, J J

2011-05-01

Catania (2005) found that a computational model of the operant reserve (Skinner, 1938) produced realistic behavior in initial, exploratory analyses. Although Catania's operant reserve computational model demonstrated potential to simulate varied behavioral phenomena, the model was not systematically tested. The current project replicated and extended the Catania model, clarified its capabilities through systematic testing, and determined the extent to which it produces behavior corresponding to matching theory. Significant departures from both classic and modern matching theory were found in behavior generated by the model across all conditions. The results suggest that a simple, dynamic operant model of the reflex reserve does not simulate realistic steady state behavior. Copyright © 2011 Elsevier B.V. All rights reserved.

Progressive failure of lower San Fernando dam

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

Gu, W.H.; Morgenstern, N.R.; Robertson, P.K.

1993-02-01

Postearthquake deformation analyses of the lower San Fernando dam were conducted using an incremental finite-element method. In the analyses, an undrained elastoplastic model was used to simulate the collapse of liquefied materials. The model is developed based on the critical-state boundary-surface theory, the concept of steady-state strength, and the undrained behavior of liquefiable soils. A triggering condition in terms of a collapse surface was considered in this model. The hyperbolic strain-softening relationship has been introduced to simulate the postpeak behavior of liquefied materials. The analyses have shown that a progressive failure under undrained conditions may explain the observed response ofmore » the lower San Fernando dam following the 1971 earthquake. Stress redistribution initiated by the strain softening of liquefied materials is the main reason for undrained flow failures of dams, slopes, and foundations and can occur in a short period ranging from a few seconds to a few minutes. The liquefied zone after stress redistribution may be much larger than the initial liquefied zone caused directly by an earthquake. Therefore, a postearthquake deformation analysis may be essential in liquefaction stability evaluations.« less

Identification of Arbitrary Zonation in Groundwater Parameters using the Level Set Method and a Parallel Genetic Algorithm

NASA Astrophysics Data System (ADS)

Lei, H.; Lu, Z.; Vesselinov, V. V.; Ye, M.

2017-12-01

Simultaneous identification of both the zonation structure of aquifer heterogeneity and the hydrogeological parameters associated with these zones is challenging, especially for complex subsurface heterogeneity fields. In this study, a new approach, based on the combination of the level set method and a parallel genetic algorithm is proposed. Starting with an initial guess for the zonation field (including both zonation structure and the hydraulic properties of each zone), the level set method ensures that material interfaces are evolved through the inverse process such that the total residual between the simulated and observed state variables (hydraulic head) always decreases, which means that the inversion result depends on the initial guess field and the minimization process might fail if it encounters a local minimum. To find the global minimum, the genetic algorithm (GA) is utilized to explore the parameters that define initial guess fields, and the minimal total residual corresponding to each initial guess field is considered as the fitness function value in the GA. Due to the expensive evaluation of the fitness function, a parallel GA is adapted in combination with a simulated annealing algorithm. The new approach has been applied to several synthetic cases in both steady-state and transient flow fields, including a case with real flow conditions at the chromium contaminant site at the Los Alamos National Laboratory. The results show that this approach is capable of identifying the arbitrary zonation structures of aquifer heterogeneity and the hydrogeological parameters associated with these zones effectively.

Proton and neutron density distributions at supranormal density in low- and medium-energy heavy-ion collisions

NASA Astrophysics Data System (ADS)

Stone, J. R.; Danielewicz, P.; Iwata, Y.

2017-07-01

Background: The distribution of protons and neutrons in the matter created in heavy-ion collisions is one of the main points of interest for the collision physics, especially at supranormal densities. These distributions are the basis for predictions of the density dependence of the symmetry energy and the density range that can be achieved in a given colliding system. We report results of the first systematic simulation of proton and neutron density distributions in central heavy-ion collisions within the beam energy range of Ebeam≤800 MeV /nucl . The symmetric 40Ca+40Ca , 48Ca+48Ca , 100Sn+100Sn , and 120Sn+120Sn and asymmetric 40Ca+48Ca and 100Sn+120Sn systems were chosen for the simulations. Purpose: We simulate development of proton and neutron densities and asymmetries as a function of initial state, beam energy, and system size in the selected collisions in order to guide further experiments pursuing the density dependence of the symmetry energy. Methods: The Boltzmann-Uhlenbeck-Uehling (pBUU) transport model with four empirical models for the density dependence of the symmetry energy was employed. Results of simulations using pure Vlasov dynamics were added for completeness. In addition, the time-dependent Hartree-Fock (TDHF) model, with the SV-bas Skyrme interaction, was used to model the heavy-ion collisions at Ebeam≤40 MeV /nucl . Maximum proton and neutron densities ρpmax and ρnmax, reached in the course of a collision, were determined from the time evolution of ρp and ρn. Results: The highest total densities predicted at Ebeam=800 MeV /nucl . were of the order of ˜2.5 ρ0 (ρ0=0.16 fm-3 ) for both Sn and Ca systems. They were found to be only weakly dependent on the initial conditions, beam energy, system size, and a model of the symmetry energy. The proton-neutron asymmetry δ =(ρnmax-ρpmax) /(ρnmax+ρpmax) at maximum density does depend, though, on these parameters. The highest value of δ found in all systems and at all investigated beam energies was ˜0.17 . Conclusions: We find that the initial state, beam energy, system size, and a symmetry energy model affect very little the maximum proton and neutron densities, but have a subtle impact on the proton-neutron asymmetry. Most importantly, the variations in the proton-neutron asymmetry at maximum densities are related at most at 50% level to the details in the symmetry energy at supranormal density. The reminder is due to the details in the symmetry energy at subnormal densities and proton and neutron distributions in the initial state. This result brings to the forefront the need for a proper initialization of the nuclei in the simulation, but also brings up the question of microscopy, such as shell effects, that affect initial proton and neutron densities, but cannot be consistently incorporated into semiclassical transport models.

Revisiting Vertical Models To Simulate the Line Shape of Electronic Spectra Adopting Cartesian and Internal Coordinates.

PubMed

Cerezo, Javier; Santoro, Fabrizio

2016-10-11

Vertical models for the simulation of spectroscopic line shapes expand the potential energy surface (PES) of the final state around the equilibrium geometry of the initial state. These models provide, in principle, a better approximation of the region of the band maximum. At variance, adiabatic models expand each PES around its own minimum. In the harmonic approximation, when the minimum energy structures of the two electronic states are connected by large structural displacements, adiabatic models can breakdown and are outperformed by vertical models. However, the practical application of vertical models faces the issues related to the necessity to perform a frequency analysis at a nonstationary point. In this contribution we revisit vertical models in harmonic approximation adopting both Cartesian (x) and valence internal curvilinear coordinates (s). We show that when x coordinates are used, the vibrational analysis at nonstationary points leads to a deficient description of low-frequency modes, for which spurious imaginary frequencies may even appear. This issue is solved when s coordinates are adopted. It is however necessary to account for the second derivative of s with respect to x, which here we compute analytically. We compare the performance of the vertical model in the s-frame with respect to adiabatic models and previously proposed vertical models in x- or Q 1 -frame, where Q 1 are the normal coordinates of the initial state computed as combination of Cartesian coordinates. We show that for rigid molecules the vertical approach in the s-frame provides a description of the final state very close to the adiabatic picture. For sizable displacements it is a solid alternative to adiabatic models, and it is not affected by the issues of vertical models in x- and Q 1 -frames, which mainly arise when temperature effects are included. In principle the G matrix depends on s, and this creates nonorthogonality problems of the Duschinsky matrix connecting the normal modes of initial and final states in adiabatic approaches. We highlight that such a dependence of G on s is also an issue in vertical models, due to the necessity to approximate the kinetic term in the Hamiltonian when setting up the so-called GF problem. When large structural differences exist between the initial and the final-state minima, the changes in the G matrix can become too large to be disregarded.

Metastable liquid lamellar structures in binary and ternary mixtures of Lennard-Jones fluids

NASA Astrophysics Data System (ADS)

Díaz-Herrera, Enrique; Ramírez-Santiago, Guillermo; Moreno Razo, José A.

2004-03-01

We have carried out extensive equilibrium MD simulations to investigate the Liquid-Vapor coexistence in partially miscible binary and ternary mixtures LJ fluids. We have studied in detail the time evolution of the density profiles and the interfacial properties in a temperature region of the phase diagram where the condensed phase is demixed. The composition of the mixtures are fixed, 50% for the binary mixture and 33.33% for the ternary mixture. The results of the simulations clearly indicate that in the range of temperatures 78 < T < 102 ^oK,--in the scale of argon-- the system evolves towards a metastable alternated liquid-liquid lamellar state in coexistence with its vapor phase. These states can be achieved if the initial configuration is fully disordered, that is, when the particles of the fluids are randomly placed on the sites of an FCC crystal or the system is completely mixed. As temperature decreases these states become very well defined and more stable in time. We find that below 90 ^oK, the alternated liquid-liquid lamellar state remains alive for 80 ns, in the scale of argon, the longest simulation we have carried out. Nonetheless, we believe that in this temperature region these states will be alive for even much longer times.

Pitch attitude, flight path, and airspeed control during approach and landing of a powered lift STOL aircraft

NASA Technical Reports Server (NTRS)

Franklin, J. A.; Innis, R. C.

1972-01-01

Analytical investigations and piloted moving base simulator evaluations were conducted for manual control of pitch attitude, flight path, and airspeed for the approach and landing of a powered lift jet STOL aircraft. Flight path and speed response characteristics were described analytically and were evaluated for the simulation experiments which were carried out on a large motion simulator. The response characteristics were selected and evaluated for a specified path and speed control technique. These charcteristics were: (1) the initial pitch response and steady pitch rate sensitivity for control of attitude with a pitch rate command/ attitude hold system, (2) the initial flight path response, flight path overshoot, and flight path-airspeed coupling in response to a change in thrust, and (3) the sensitivity of airspeed to pitch attitude changes. Results are presented in the form of pilot opinion ratings and commentary, substantiated where appropriate by response time histories and aircraft states at the point of touchdown.

Parallel cascade selection molecular dynamics for efficient conformational sampling and free energy calculation of proteins

NASA Astrophysics Data System (ADS)

Kitao, Akio; Harada, Ryuhei; Nishihara, Yasutaka; Tran, Duy Phuoc

2016-12-01

Parallel Cascade Selection Molecular Dynamics (PaCS-MD) was proposed as an efficient conformational sampling method to investigate conformational transition pathway of proteins. In PaCS-MD, cycles of (i) selection of initial structures for multiple independent MD simulations and (ii) conformational sampling by independent MD simulations are repeated until the convergence of the sampling. The selection is conducted so that protein conformation gradually approaches a target. The selection of snapshots is a key to enhance conformational changes by increasing the probability of rare event occurrence. Since the procedure of PaCS-MD is simple, no modification of MD programs is required; the selections of initial structures and the restart of the next cycle in the MD simulations can be handled with relatively simple scripts with straightforward implementation. Trajectories generated by PaCS-MD were further analyzed by the Markov state model (MSM), which enables calculation of free energy landscape. The combination of PaCS-MD and MSM is reported in this work.

Rapidity dependence in holographic heavy ion collisions

DOE PAGES

Wilke van der Schee; Schenke, Bjorn

2015-12-11

We present an attempt to closely mimic the initial stage of heavy ion collisions within holography, assuming a decoupling of longitudinal and transverse dynamics in the very early stage. We subsequently evolve the obtained initial state using state-of-the-art hydrodynamic simulations and compare results with experimental data. We present results for charged hadron pseudorapidity spectra and directed and elliptic flow as functions of pseudorapidity for √s NN = 200GeV Au-Au and 2.76TeV Pb-Pb collisions. As a result, the directed flow interestingly turns out to be quite sensitive to the viscosity. The results can explain qualitative features of the collisions, but themore » rapidity spectra in our current model is narrower than the experimental data.« less

Analysis for Material Behavior of Sabot/Rods During Launch by Finite Element Method

NASA Astrophysics Data System (ADS)

Kim, Jin Bong; Kim, Man Geun

This study has been investigated to predict the deformation and states of stress and strain by axial and lateral acceleration during launch. Because a gun tube is not perfectly straight at its initial state while under gravity loading, the projectile deforms due to the change of contacts points with the flexible gun tube. Numerical simulations were used for gravity loading and the other type is initial shape and gravity loading. The ANSYS engineering analysis code was used to generate a parametric model of the projectile and conduct finite element analyses. Four types of nonlinear material and contact elements were incorporated into the model to account for the plastic deformation and contact between the penetrator, sabot, and tube.

The Potsdam Parallel Ice Sheet Model (PISM-PIK) - Part 2: Dynamic equilibrium simulation of the Antarctic ice sheet

NASA Astrophysics Data System (ADS)

Martin, M. A.; Winkelmann, R.; Haseloff, M.; Albrecht, T.; Bueler, E.; Khroulev, C.; Levermann, A.

2010-08-01

We present a dynamic equilibrium simulation of the ice sheet-shelf system on Antarctica with the Potsdam Parallel Ice Sheet Model (PISM-PIK). The simulation is initialized with present-day conditions for topography and ice thickness and then run to steady state with constant present-day surface mass balance. Surface temperature and basal melt distribution are parameterized. Grounding lines and calving fronts are free to evolve, and their modeled equilibrium state is compared to observational data. A physically-motivated dynamic calving law based on horizontal spreading rates allows for realistic calving fronts for various types of shelves. Steady-state dynamics including surface velocity and ice flux are analyzed for whole Antarctica and the Ronne-Filchner and Ross ice shelf areas in particular. The results show that the different flow regimes in sheet and shelves, and the transition zone between them, are captured reasonably well, supporting the approach of superposition of SIA and SSA for the representation of fast motion of grounded ice. This approach also leads to a natural emergence of streams in this new 3-D marine ice sheet model.

Simulation of hot spots formation and evolution in HMX

NASA Astrophysics Data System (ADS)

Wang, Cheng; Yang, Tonghui

2017-06-01

In order to study the formation and evolution of hot spots under shock loading, HMX explosives were selected as the object of study for the two-dimensional finite difference numerical simulation. A fifth order finite difference weighted essentially non-oscillatory (WENO) scheme and a third order TVD Runge-Kutta method are utilized for the spatial discretization and the time advance, respectively. The governing equations are based on the fluid elasto-plastic control equations. The Mie-Gruneisen equation of state and the ideal gas equation of state are selected to use in the state equation of the solid explosives and gas material. In order to simplify the calculation of the model, the reaction can be considered to complete in one step. The calculated area is [ 3.0 ×10-5 m ] × [ 3.0 ×10-5 m ] . The radius is 0.6 ×10-5 m, and the internal gas is not involved in the reaction. The calculation area is divided into 300×300 grids and 10 grids are selected from the bottom of each column to give the particle velocity u as the initial condition. In the selected grid, different initial velocity 100m/s and 200m/s are loaded respectively to study the influence of hot spot formation and evolution in different impact intensity.

Projecting the effects of tobacco control policies in the USA through microsimulation: a study protocol.

PubMed

Tam, Jamie; Levy, David T; Jeon, Jihyoun; Clarke, John; Gilkeson, Scott; Hall, Tim; Feuer, Eric J; Holford, Theodore R; Meza, Rafael

2018-03-23

Smoking remains the leading cause of preventable death in the USA but can be reduced through policy interventions. Computational models of smoking can provide estimates of the projected impact of tobacco control policies and can be used to inform public health decision making. We outline a protocol for simulating the effects of tobacco policies on population health outcomes. We extend the Smoking History Generator (SHG), a microsimulation model based on data from the National Health Interview Surveys, to evaluate the effects of tobacco control policies on projections of smoking prevalence and mortality in the USA. The SHG simulates individual life trajectories including smoking initiation, cessation and mortality. We illustrate the application of the SHG policy module for four types of tobacco control policies at the national and state levels: smoke-free air laws, cigarette taxes, increasing tobacco control programme expenditures and raising the minimum age of legal access to tobacco. Smoking initiation and cessation rates are modified by age, birth cohort, gender and years since policy implementation. Initiation and cessation rate modifiers are adjusted for differences across age groups and the level of existing policy coverage. Smoking prevalence, the number of population deaths avoided, and life-years gained are calculated for each policy scenario at the national and state levels. The model only considers direct individual benefits through reduced smoking and does not consider benefits through reduced exposure to secondhand smoke. A web-based interface is being developed to integrate the results of the simulations into a format that allows the user to explore the projected effects of tobacco control policies in the USA. Usability testing is being conducted in which experts provide feedback on the interface. Development of this tool is under way, and a publicly accessible website is available at http://www.tobaccopolicyeffects.org. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2018. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

Ignition-and-Growth Modeling of NASA Standard Detonator and a Linear Shaped Charge

NASA Technical Reports Server (NTRS)

Oguz, Sirri

2010-01-01

The main objective of this study is to quantitatively investigate the ignition and shock sensitivity of NASA Standard Detonator (NSD) and the shock wave propagation of a linear shaped charge (LSC) after being shocked by NSD flyer plate. This combined explosive train was modeled as a coupled Arbitrary Lagrangian-Eulerian (ALE) model with LS-DYNA hydro code. An ignition-and-growth (I&G) reactive model based on unreacted and reacted Jones-Wilkins-Lee (JWL) equations of state was used to simulate the shock initiation. Various NSD-to-LSC stand-off distances were analyzed to calculate the shock initiation (or failure to initiate) and detonation wave propagation along the shaped charge. Simulation results were verified by experimental data which included VISAR tests for NSD flyer plate velocity measurement and an aluminum target severance test for LSC performance verification. Parameters used for the analysis were obtained from various published data or by using CHEETAH thermo-chemical code.

Initial steps of inactivation at the K+ channel selectivity filter

PubMed Central

Thomson, Andrew S.; Heer, Florian T.; Smith, Frank J.; Hendron, Eunan; Bernèche, Simon; Rothberg, Brad S.

2014-01-01

K+ efflux through K+ channels can be controlled by C-type inactivation, which is thought to arise from a conformational change near the channel’s selectivity filter. Inactivation is modulated by ion binding near the selectivity filter; however, the molecular forces that initiate inactivation remain unclear. We probe these driving forces by electrophysiology and molecular simulation of MthK, a prototypical K+ channel. Either Mg2+ or Ca2+ can reduce K+ efflux through MthK channels. However, Ca2+, but not Mg2+, can enhance entry to the inactivated state. Molecular simulations illustrate that, in the MthK pore, Ca2+ ions can partially dehydrate, enabling selective accessibility of Ca2+ to a site at the entry to the selectivity filter. Ca2+ binding at the site interacts with K+ ions in the selectivity filter, facilitating a conformational change within the filter and subsequent inactivation. These results support an ionic mechanism that precedes changes in channel conformation to initiate inactivation. PMID:24733889

Quantum adiabatic computation with a constant gap is not useful in one dimension.

PubMed

Hastings, M B

2009-07-31

We show that it is possible to use a classical computer to efficiently simulate the adiabatic evolution of a quantum system in one dimension with a constant spectral gap, starting the adiabatic evolution from a known initial product state. The proof relies on a recently proven area law for such systems, implying the existence of a good matrix product representation of the ground state, combined with an appropriate algorithm to update the matrix product state as the Hamiltonian is changed. This implies that adiabatic evolution with such Hamiltonians is not useful for universal quantum computation. Therefore, adiabatic algorithms which are useful for universal quantum computation either require a spectral gap tending to zero or need to be implemented in more than one dimension (we leave open the question of the computational power of adiabatic simulation with a constant gap in more than one dimension).

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

T. H. Brikowski; D. L. Norton; D. D. Blackwell

Final project report of natural state modeling effort for The Geysers geothermal field, California. Initial models examined the liquid-dominated state of the system, based on geologic constraints and calibrated to match observed whole rock delta-O18 isotope alteration. These models demonstrated that the early system was of generally low permeability (around 10{sup -12} m{sup 2}), with good hydraulic connectivity at depth (along the intrusive contact) and an intact caprock. Later effort in the project was directed at development of a two-phase, supercritical flow simulation package (EOS1sc) to accompany the Tough2 flow simulator. Geysers models made using this package show that ''simmering'',more » or the transient migration of vapor bubbles through the hydrothermal system, is the dominant transition state as the system progresses to vapor-dominated. Such a system is highly variable in space and time, making the rock record more difficult to interpret, since pressure-temperature indicators likely reflect only local, short duration conditions.« less

The H2 + + He proton transfer reaction: quantum reactive differential cross sections to be linked with future velocity mapping experiments

NASA Astrophysics Data System (ADS)

Hernández Vera, Mario; Wester, Roland; Gianturco, Francesco Antonio

2018-01-01

We construct the velocity map images of the proton transfer reaction between helium and molecular hydrogen ion {{{H}}}2+. We perform simulations of imaging experiments at one representative total collision energy taking into account the inherent aberrations of the velocity mapping in order to explore the feasibility of direct comparisons between theory and future experiments planned in our laboratory. The asymptotic angular distributions of the fragments in a 3D velocity space is determined from the quantum state-to-state differential reactive cross sections and reaction probabilities which are computed by using the time-independent coupled channel hyperspherical coordinate method. The calculations employ an earlier ab initio potential energy surface computed at the FCI/cc-pVQZ level of theory. The present simulations indicate that the planned experiments would be selective enough to differentiate between product distributions resulting from different initial internal states of the reactants.

Investigating Intrinsic and Extrinsic Variables During Simulated Internet Search

NASA Technical Reports Server (NTRS)

Liechty, Molly M.; Madhavan, Poornima

2011-01-01

Using an eye tracker we examined decision-making processes during an internet search task. Twenty experienced homebuyers and twenty-five undergraduates from Old Dominion University viewed homes on a simulated real estate website. Several of the homes included physical properties that had the potential to negatively impact individual perceptions. These negative externalities were either easy to change (Level 1) or impossible to change (Level 2). Eye movements were analyzed to examine the relationship between participants' "stated preferences"[verbalized preferences], "revealed preferences" [actual decisions[, and experience. Dwell times, fixation durations/counts, and saccade counts/amplitudes were analyzed. Results revealed that experienced homebuyers demonstrated a more refined search pattern than novice searchers. Experienced homebuyers were also less impacted by negative externalities. Furthermore, stated preferences were discrepant from revealed preferences; although participants initially stated they liked/disliked a graphic, their eye movement patterns did not reflect this trend. These results have important implications for design of user-friendly web interfaces.

Quantifying equation-of-state and opacity errors using integrated supersonic diffusive radiation flow experiments on the National Ignition Facility

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

Guymer, T. M., E-mail: Thomas.Guymer@awe.co.uk; Moore, A. S.; Morton, J.

A well diagnosed campaign of supersonic, diffusive radiation flow experiments has been fielded on the National Ignition Facility. These experiments have used the accurate measurements of delivered laser energy and foam density to enable an investigation into SESAME's tabulated equation-of-state values and CASSANDRA's predicted opacity values for the low-density C{sub 8}H{sub 7}Cl foam used throughout the campaign. We report that the results from initial simulations under-predicted the arrival time of the radiation wave through the foam by ≈22%. A simulation study was conducted that artificially scaled the equation-of-state and opacity with the intended aim of quantifying the systematic offsets inmore » both CASSANDRA and SESAME. Two separate hypotheses which describe these errors have been tested using the entire ensemble of data, with one being supported by these data.« less

Modeling Photochemical Dynamics in Optically Active Energetic Materials

NASA Astrophysics Data System (ADS)

Nelson, Tammie; Bjorgaard, Josiah; Greenfield, Margo; Bolme, Cindy; Brown, Katie; McGrane, Shawn; Scharff, R. Jason; Tretiak, Sergei

Most high explosives (HEs) absorb in the UV range, making it difficult to develop HEs that can be excited with standard lasers. The conventional optical initiation mechanisms require high laser intensity and occur via indirect thermal or shock processes. A photochemical initiation mechanism could allow control over the chemistry contributing to decomposition leading to initiation. We combine UV femtosecond transient absorption (TA) spectroscopy and excited state femtosecond stimulated Raman spectroscopy (FSRS) with Nonadiabatic Excited State Molecular Dynamics (NA-ESMD) to model the photochemical pathways in nitromethane (NM), a low sensitivity HE known to undergo UV photolysis. We investigate the ultrafast photodecomposition of NM from the nπ* state excited at 266 nm. The FSRS photoproduct spectrum points to methyl nitrite formation as the dominant photoproduct. A total photolysis quantum yield of 0.27 and an nπ* state lifetime of 20 fs were predicted from simulations. Predicted time scales reveal that NO2 dissociation occurs in 81 +/-4 fs and methyl nitrite formation is much slower at 452 +/-9 fs corresponding to the absorption feature in the TA spectrum. The relative time scales are consistent with isomerization by NO2 dissociation and ONO rebinding.

Quantum simulations of nuclei and nuclear pasta with the multiresolution adaptive numerical environment for scientific simulations

NASA Astrophysics Data System (ADS)

Sagert, I.; Fann, G. I.; Fattoyev, F. J.; Postnikov, S.; Horowitz, C. J.

2016-05-01

Background: Neutron star and supernova matter at densities just below the nuclear matter saturation density is expected to form a lattice of exotic shapes. These so-called nuclear pasta phases are caused by Coulomb frustration. Their elastic and transport properties are believed to play an important role for thermal and magnetic field evolution, rotation, and oscillation of neutron stars. Furthermore, they can impact neutrino opacities in core-collapse supernovae. Purpose: In this work, we present proof-of-principle three-dimensional (3D) Skyrme Hartree-Fock (SHF) simulations of nuclear pasta with the Multi-resolution ADaptive Numerical Environment for Scientific Simulations (MADNESS). Methods: We perform benchmark studies of 16O, 208Pb, and 238U nuclear ground states and calculate binding energies via 3D SHF simulations. Results are compared with experimentally measured binding energies as well as with theoretically predicted values from an established SHF code. The nuclear pasta simulation is initialized in the so-called waffle geometry as obtained by the Indiana University Molecular Dynamics (IUMD) code. The size of the unit cell is 24 fm with an average density of about ρ =0.05 fm-3 , proton fraction of Yp=0.3 , and temperature of T =0 MeV. Results: Our calculations reproduce the binding energies and shapes of light and heavy nuclei with different geometries. For the pasta simulation, we find that the final geometry is very similar to the initial waffle state. We compare calculations with and without spin-orbit forces. We find that while subtle differences are present, the pasta phase remains in the waffle geometry. Conclusions: Within the MADNESS framework, we can successfully perform calculations of inhomogeneous nuclear matter. By using pasta configurations from IUMD it is possible to explore different geometries and test the impact of self-consistent calculations on the latter.

Forming limit diagrams of tubes with initial wall-thickness difference based on different instability criteria

NASA Astrophysics Data System (ADS)

Zhao, Qiwen; Yang, Lianfa; He, Yulin

2018-05-01

The Forming limit diagram (FLD), also known as a forming limit curves (FLC), is generally used in metal forming for predicting forming behavior of metals. The purpose of the study is to clarify the difference among the FLC of tubes with initial wall-thickness difference under tension-compression strain states using finite element (FE) simulation of tube hydroforming (THF) and different instability criteria. Firstly, geometrical models for SUS304 stainless steel tubes with initial wall-thickness differences were built by introducing an index `wall-thickness deviation rate'. Secondly, forced-end hydro-bugling of the tubes was modeled and the forming process was simulated by using the commercial finite element (FE) code ABAQUS/Explicit 6.10. Afterwards, the limiting strains of the material in the hydro-bugling process were calculated based on the simulated resultant data and three instability criteria-strain change criterion, strain rate change criterion and strain path change criterion, respectively. Finally, the FLD for the tubes was established and the effect of wall-thickness deviation rate on the FLD was analyzed and the differences among the FLC based on the three instability criteria were compared. The results showed that the FLC are observed to shift in the major-minor strain coordinate system due to the initial non-uniform wall-thickness; however, no distinct differences among the FLC based on the three instability criteria were observed.

Numerical Simulations of Lightcurves of Non-principal Axis Rotators

NASA Astrophysics Data System (ADS)

Mueller, Beatrice E. A.; Samarasinha, N. H.

2012-10-01

Theory predicts that most short-period comets should be in non-principal axis (NPA) rotational states (Jewitt 1997) due to torques caused by outgassing from the nuclei. However the fraction that is currently observed to be in such a state is small (less than 15%; Samarasinha et al 2004, and references therein). This suggests that NPA states naturally occurring as a consequence of cometary jetting are more rapidly damped because comets are structurally far weaker than has been assumed. However, there is a serious question whether this discrepancy is real or an artifact of interpreting lightcurve observations. We will present initial results of our numerical simulation of the observational manifestation of lightcurves over the range of possible NPA rotation states and determine the effects of observing geometry, signal-to-noise, and sampling. References: Jewitt, D. 1997. Cometary Rotation: An Overview. Earth, Moon, and Planets 79, 35-53. Samarasinha, N.H., B.E.A. Mueller, M.J.S. Belton,L. Jorda 2004. Rotation of Cometary Nuclei. In Comets II, pp. 281-299.

A study of two statistical methods as applied to shuttle solid rocket booster expenditures

NASA Technical Reports Server (NTRS)

Perlmutter, M.; Huang, Y.; Graves, M.

1974-01-01

The state probability technique and the Monte Carlo technique are applied to finding shuttle solid rocket booster expenditure statistics. For a given attrition rate per launch, the probable number of boosters needed for a given mission of 440 launches is calculated. Several cases are considered, including the elimination of the booster after a maximum of 20 consecutive launches. Also considered is the case where the booster is composed of replaceable components with independent attrition rates. A simple cost analysis is carried out to indicate the number of boosters to build initially, depending on booster costs. Two statistical methods were applied in the analysis: (1) state probability method which consists of defining an appropriate state space for the outcome of the random trials, and (2) model simulation method or the Monte Carlo technique. It was found that the model simulation method was easier to formulate while the state probability method required less computing time and was more accurate.

A Comparative Analysis of Network Approaches for Tactical Wireless Communications, Validated by Joint Communication Simulation System (JCSS) Simulations: A Swedish Perspective

DTIC Science & Technology

2011-09-01

Frequency Division Multiplexing OLSR Optimized Link State Routing OODA Observe, Orient, Decide, Act (from John Boyd’s OODA-loop) OPP Operational...Colonel John Boyd [15]. The essence in the OODA-loop is to maintain initiative and tempo so that your decision cycle (Kill-Chain) is faster than that...Author, 1986. [16] “Intro to Command and Control,” class notes for CC3000, Naval Postgraduate School, December 2010. 86 [17] D. S. Fadok, John Boyd

Dynamical Casimir Effect for Gaussian Boson Sampling.

PubMed

Peropadre, Borja; Huh, Joonsuk; Sabín, Carlos

2018-02-28

We show that the Dynamical Casimir Effect (DCE), realized on two multimode coplanar waveg-uide resonators, implements a gaussian boson sampler (GBS). The appropriate choice of the mirror acceleration that couples both resonators translates into the desired initial gaussian state and many-boson interference in a boson sampling network. In particular, we show that the proposed quantum simulator naturally performs a classically hard task, known as scattershot boson sampling. Our result unveils an unprecedented computational power of DCE, and paves the way for using DCE as a resource for quantum simulation.

Self-charging of identical grains in the absence of an external field.

PubMed

Yoshimatsu, R; Araújo, N A M; Wurm, G; Herrmann, H J; Shinbrot, T

2017-01-06

We investigate the electrostatic charging of an agitated bed of identical grains using simulations, mathematical modeling, and experiments. We simulate charging with a discrete-element model including electrical multipoles and find that infinitesimally small initial charges can grow exponentially rapidly. We propose a mathematical Turing model that defines conditions for exponential charging to occur and provides insights into the mechanisms involved. Finally, we confirm the predicted exponential growth in experiments using vibrated grains under microgravity, and we describe novel predicted spatiotemporal states that merit further study.

Pulse fracture simulation in shale rock reservoirs: DEM and FEM-DEM approaches

NASA Astrophysics Data System (ADS)

González, José Manuel; Zárate, Francisco; Oñate, Eugenio

2018-07-01

In this paper we analyze the capabilities of two numerical techniques based on DEM and FEM-DEM approaches for the simulation of fracture in shale rock caused by a pulse of pressure. We have studied the evolution of fracture in several fracture scenarios related to the initial stress state in the soil or the pressure pulse peak. Fracture length and type of failure have been taken as reference for validating the models. The results obtained show a good approximation to FEM results from the literature.

Self-charging of identical grains in the absence of an external field

NASA Astrophysics Data System (ADS)

Yoshimatsu, R.; Araújo, N. A. M.; Wurm, G.; Herrmann, H. J.; Shinbrot, T.

2017-01-01

We investigate the electrostatic charging of an agitated bed of identical grains using simulations, mathematical modeling, and experiments. We simulate charging with a discrete-element model including electrical multipoles and find that infinitesimally small initial charges can grow exponentially rapidly. We propose a mathematical Turing model that defines conditions for exponential charging to occur and provides insights into the mechanisms involved. Finally, we confirm the predicted exponential growth in experiments using vibrated grains under microgravity, and we describe novel predicted spatiotemporal states that merit further study.

Something from nothing: self-charging of identical grains

NASA Astrophysics Data System (ADS)

Shinbrot, Troy; Yoshimatsu, Ryuta; Nuno Araujo, Nuno; Wurm, Gerhard; Herrmann, Hans

We investigate the electrostatic charging of an agitated bed of identical grains using simulations, mathematical modeling, and experiments. We simulate charging with a discrete-element model including electrical multipoles and find that infinitesimally small initial charges can grow exponentially rapidly. We propose a mathematical Turing model that defines conditions for exponential charging to occur and provides insights into the mechanisms involved. Finally, we confirm the predicted exponential growth in experiments using vibrated grains under microgravity, and we describe novel predicted spatiotemporal states that merit further study. I acknowledge support from NSF/DMR, award 1404792.

Self-charging of identical grains in the absence of an external field

PubMed Central

Yoshimatsu, R.; Araújo, N. A. M.; Wurm, G.; Herrmann, H. J.; Shinbrot, T.

2017-01-01

We investigate the electrostatic charging of an agitated bed of identical grains using simulations, mathematical modeling, and experiments. We simulate charging with a discrete-element model including electrical multipoles and find that infinitesimally small initial charges can grow exponentially rapidly. We propose a mathematical Turing model that defines conditions for exponential charging to occur and provides insights into the mechanisms involved. Finally, we confirm the predicted exponential growth in experiments using vibrated grains under microgravity, and we describe novel predicted spatiotemporal states that merit further study. PMID:28059124

An economic analysis of life expectancy by gender with application to the United States.

PubMed

Leung, Michael C M; Zhang, Jie; Zhang, Junsen

2004-07-01

This paper presents an economic model to explain the behavior of life expectancy of both sexes. It explicitly examines the relationship between the gender gap in life expectancy and the gender gap in pay. It shows that as the latter narrows over the course of economic development, the former may initially expand but will eventually shrink. Simulation results from our model accord with the behavior of life expectancy for both sexes since the 1940s in the United States.

A new class of accelerated kinetic Monte Carlo algorithms

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

Bulatov, V V; Oppelstrup, T; Athenes, M

2011-11-30

Kinetic (aka dynamic) Monte Carlo (KMC) is a powerful method for numerical simulations of time dependent evolution applied in a wide range of contexts including biology, chemistry, physics, nuclear sciences, financial engineering, etc. Generally, in a KMC the time evolution takes place one event at a time, where the sequence of events and the time intervals between them are selected (or sampled) using random numbers. While details of the method implementation vary depending on the model and context, there exist certain common issues that limit KMC applicability in almost all applications. Among such is the notorious 'flicker problem' where themore » same states of the systems are repeatedly visited but otherwise no essential evolution is observed. In its simplest form the flicker problem arises when two states are connected to each other by transitions whose rates far exceed the rates of all other transitions out of the same two states. In such cases, the model will endlessly hop between the two states otherwise producing no meaningful evolution. In most situation of practical interest, the trapping cluster includes more than two states making the flicker somewhat more difficult to detect and to deal with. Several methods have been proposed to overcome or mitigate the flicker problem, exactly [1-3] or approximately [4,5]. Of the exact methods, the one proposed by Novotny [1] is perhaps most relevant to our research. Novotny formulates the problem of escaping from a trapping cluster as a Markov system with absorbing states. Given an initial state inside the cluster, it is in principle possible to solve the Master Equation for the time dependent probabilities to find the walker in a given state (transient or absorbing) of the cluster at any time in the future. Novotny then proceeds to demonstrate implementation of his general method to trapping clusters containing the initial state plus one or two transient states and all of their absorbing states. Similar methods have been subsequently proposed in [refs] but applied in a different context. The most serious deficiency of the earlier methods is that size of the trapping cluster size is fixed and often too small to bring substantial simulation speedup. Furthermore, the overhead associated with solving for the probability distribution on the trapping cluster sometimes makes such simulations less efficient than the standard KMC. Here we report on a general and exact accelerated kinetic Monte Carlo algorithm generally applicable to arbitrary Markov models1. Two different implementations are attempted both based on incremental expansion of trapping sub-set of Markov states: (1) numerical solution of the Master Equation with absorbing states and (2) incremental graph reduction followed by randomization. Of the two implementations, the 2nd one performs better allowing, for the first time, to overcome trapping basins spanning several million Markov states. The new method is used for simulations of anomalous diffusion on a 2D substrate and of the kinetics of diffusive 1st order phase transformations in binary alloys. Depending on temperature and (alloy) super-saturation conditions, speedups of 3 to 7 orders of magnitude are demonstrated, with no compromise of simulation accuracy.« less

Development and Evaluation of High-Resolution Climate Simulations Over the Mountainous Northeastern United States

NASA Technical Reports Server (NTRS)

Winter, Jonathan M.; Beckage, Brian; Bucini, Gabriela; Horton, Radley M.; Clemins, Patrick J.

2016-01-01

The mountain regions of the northeastern United States are a critical socioeconomic resource for Vermont, New York State, New Hampshire, Maine, and southern Quebec. While global climate models (GCMs) are important tools for climate change risk assessment at regional scales, even the increased spatial resolution of statistically downscaled GCMs (commonly approximately 1/ 8 deg) is not sufficient for hydrologic, ecologic, and land-use modeling of small watersheds within the mountainous Northeast. To address this limitation, an ensemble of topographically downscaled, high-resolution (30"), daily 2-m maximum air temperature; 2-m minimum air temperature; and precipitation simulations are developed for the mountainous Northeast by applying an additional level of downscaling to intermediately downscaled (1/ 8 deg) data using high-resolution topography and station observations. First, observed relationships between 2-m air temperature and elevation and between precipitation and elevation are derived. Then, these relationships are combined with spatial interpolation to enhance the resolution of intermediately downscaled GCM simulations. The resulting topographically downscaled dataset is analyzed for its ability to reproduce station observations. Topographic downscaling adds value to intermediately downscaled maximum and minimum 2-m air temperature at high-elevation stations, as well as moderately improves domain-averaged maximum and minimum 2-m air temperature. Topographic downscaling also improves mean precipitation but not daily probability distributions of precipitation. Overall, the utility of topographic downscaling is dependent on the initial bias of the intermediately downscaled product and the magnitude of the elevation adjustment. As the initial bias or elevation adjustment increases, more value is added to the topographically downscaled product.

Assessment of a simulated contraceptive prescribing activity for pharmacy students.

PubMed

Lynch, Sarah E; Griffin, Brooke L; Vest, Kathleen M

2018-02-01

The role of the pharmacist has been shifting rapidly. One example of change is the passage of legislation allowing pharmacists to independently initiate self-administered hormonal contraceptives in several states. There is no evidence of this specific topic being covered in pharmacy school curricula, and many states are requiring additional post-graduate training. This activity was designed to determine the utility of a contraceptive prescribing simulation activity for pharmacy students. Pharmacy students enrolled in a women's health elective learned about relevant state legislation and attended a clinical skills center simulation activity where they utilized an available prescribing algorithm. Students completed two scenarios and received grades based on their clinical decision-making and patient interaction skills. An electronic survey was distributed post-activity to assess student satisfaction and confidence when prescribing contraceptives. Responses and grades on the assignment were analyzed to determine the activity's utility. Students finished with median scores of 15, 14.8, and 14.5 out of 15 possible points for the three scenarios. Students reported overall satisfaction with the activity, with general agreement that the activity was realistic and made them feel like they were prepared to prescribe contraceptives. Independently initiating contraceptives is a novel practice area for pharmacists. This activity introduced students to the process of prescribing using realistic forms and scenarios. The utility of the activity was twofold - it introduced students to the changing environment of pharmacy practice and allowed students to apply their knowledge of contraceptives and women's health. Students performed well on the activity and reported high levels of satisfaction. Copyright © 2017 Elsevier Inc. All rights reserved.

Helical vortices: Quasiequilibrium states and their time evolution

NASA Astrophysics Data System (ADS)

Selçuk, Can; Delbende, Ivan; Rossi, Maurice

2017-08-01

The time evolution of a viscous helical vortex is investigated by direct numerical simulations of the Navier-Stokes equations where helical symmetry is enforced. Using conservation laws in the framework of helical symmetry, we elaborate an initial condition consisting in a finite core vortex, the time evolution of which leads to a generic quasiequilibrium state independent of the initial core size. Numerical results at different helical pitch values provide an accurate characterization in time for such helical states, for which specific techniques have been introduced: helix radius, angular velocity, stream function-velocity-vorticity relationships, and core properties (size, self-similarity, and ellipticity). Viscosity is shown to be at the origin of a small helical velocity component, which we relate to the helical vorticity component. Finally, changes in time of the flow topology are studied using the helical stream function and three-dimensional Lagrangian orbits.

Enhanced sampling by multiple molecular dynamics trajectories: carbonmonoxy myoglobin 10 micros A0-->A(1-3) transition from ten 400 picosecond simulations.

PubMed

Loccisano, Anne E; Acevedo, Orlando; DeChancie, Jason; Schulze, Brita G; Evanseck, Jeffrey D

2004-05-01

The utility of multiple trajectories to extend the time scale of molecular dynamics simulations is reported for the spectroscopic A-states of carbonmonoxy myoglobin (MbCO). Experimentally, the A0-->A(1-3) transition has been observed to be 10 micros at 300 K, which is beyond the time scale of standard molecular dynamics simulations. To simulate this transition, 10 short (400 ps) and two longer time (1.2 ns) molecular dynamics trajectories, starting from five different crystallographic and solution phase structures with random initial velocities centered in a 37 A radius sphere of water, have been used to sample the native-fold of MbCO. Analysis of the ensemble of structures gathered over the cumulative 5.6 ns reveals two biomolecular motions involving the side chains of His64 and Arg45 to explain the spectroscopic states of MbCO. The 10 micros A0-->A(1-3) transition involves the motion of His64, where distance between His64 and CO is found to vary up to 8.8 +/- 1.0 A during the transition of His64 from the ligand (A(1-3)) to bulk solvent (A0). The His64 motion occurs within a single trajectory only once, however the multiple trajectories populate the spectroscopic A-states fully. Consequently, multiple independent molecular dynamics simulations have been found to extend biomolecular motion from 5 ns of total simulation to experimental phenomena on the microsecond time scale.

Quasi-Equilibria of the Rotunno-Emanuel Tropical Cyclone Model

NASA Technical Reports Server (NTRS)

Chao, Winston C.; Chen, Baode

2003-01-01

Long-term integrations using the Rotunno-Emanuel (RE) model demonstrate that given sufficient elapsed time the weak initial vortex specified by R E can also lead to tropical cyclogenesis, albeit at a slower growth rate. Thus the RE notion of the finite-amplitude nature of tropical cyclogenesis is valid only if the period of examination is limited to the first eight days. These results also show that, if initial vortex as specified by RE is used, prior to cyclogenesis the model state does not resemble the observed pre-genesis disturbances in the sense that there is no precipitation in the center of the disturbance. Another experiment using the same model but with the initial vortex replaced by a disturbance with a different structure shows that a state resembling the observed pre-genesis disturbances can be simulated and this state can lead to spontaneous cyclogenesis, a rapid transition between two quasi-equilibria. This spontaneous cyclogenesis is associated with the generation of a new convective region at large radius and its subsequent contraction, which reminds one of the observed eye-wall replacement, but the distinction from the latter is obvious.

Bringing global gyrokinetic turbulence simulations to the transport timescale using a multiscale approach

NASA Astrophysics Data System (ADS)

Parker, Jeffrey; Lodestro, Lynda; Told, Daniel; Merlo, Gabriele; Ricketson, Lee; Campos, Alejandro; Jenko, Frank; Hittinger, Jeffrey

2017-10-01

Predictive whole-device simulation models will play an increasingly important role in ensuring the success of fusion experiments and accelerating the development of fusion energy. In the core of tokamak plasmas, a separation of timescales between turbulence and transport makes a single direct simulation of both processes computationally expensive. We present the first demonstration of a multiple-timescale method coupling global gyrokinetic simulations with a transport solver to calculate the self-consistent, steady-state temperature profile. Initial results are highly encouraging, with the coupling method appearing robust to the difficult problem of turbulent fluctuations. The method holds potential for integrating first-principles turbulence simulations into whole-device models and advancing the understanding of global plasma behavior. Work supported by US DOE under Contract DE-AC52-07NA27344 and the Exascale Computing Project (17-SC-20-SC).

Numerical Simulation of Stress evolution and earthquake sequence of the Tibetan Plateau

NASA Astrophysics Data System (ADS)

Dong, Peiyu; Hu, Caibo; Shi, Yaolin

2015-04-01

The India-Eurasia's collision produces N-S compression and results in large thrust fault in the southern edge of the Tibetan Plateau. Differential eastern flow of the lower crust of the plateau leads to large strike-slip faults and normal faults within the plateau. From 1904 to 2014, more than 30 earthquakes of Mw > 6.5 occurred sequentially in this distinctive tectonic environment. How did the stresses evolve during the last 110 years, how did the earthquakes interact with each other? Can this knowledge help us to forecast the future seismic hazards? In this essay, we tried to simulate the evolution of the stress field and the earthquake sequence in the Tibetan plateau within the last 110 years with a 2-D finite element model. Given an initial state of stress, the boundary condition was constrained by the present-day GPS observation, which was assumed as a constant rate during the 110 years. We calculated stress evolution year by year, and earthquake would occur if stress exceed the crustal strength. Stress changes due to each large earthquake in the sequence was calculated and contributed to the stress evolution. A key issue is the choice of initial stress state of the modeling, which is actually unknown. Usually, in the study of earthquake triggering, people assume the initial stress is zero, and only calculate the stress changes by large earthquakes - the Coulomb failure stress changes (Δ CFS). To some extent, this simplified method is a powerful tool because it can reveal which fault or which part of a fault becomes more risky or safer relatively. Nonetheless, it has not utilized all information available to us. The earthquake sequence reveals, though far from complete, some information about the stress state in the region. If the entire region is close to a self-organized critical or subcritical state, earthquake stress drop provides an estimate of lower limit of initial state. For locations no earthquakes occurred during the period, initial stress has to be lower than certain value. For locations where large earthquakes occurred during the 110 years, the initial stresses can be inverted if the strength is estimated and the tectonic loading is assumed constant. Therefore, although initial stress state is unknown, we can try to make estimate of a range of it. In this study, we estimated a reasonable range of initial stress, and then based on Coulomb-Mohr criterion to regenerate the earthquake sequence, starting from the Daofu earthquake of 1904. We calculated the stress field evolution of the sequence, considering both the tectonic loading and interaction between the earthquakes. Ultimately we got a sketch of the present stress. Of course, a single model with certain initial stress is just one possible model. Consequently the potential seismic hazards distribution based on a single model is not convincing. We made test on hundreds of possible initial stress state, all of them can produce the historical earthquake sequence occurred, and summarized all kinds of calculated probabilities of the future seismic activity. Although we cannot provide the exact state in the future, but we can narrow the estimate of regions where is in high probability of risk. Our primary results indicate that the Xianshuihe fault and adjacent area is one of such zones with higher risk than other regions in the future. During 2014, there were 6 earthquakes (M > 5.0) happened in this region, which correspond with our result in some degree. We emphasized the importance of the initial stress field for the earthquake sequence, and provided a probabilistic assessment for future seismic hazards. This study may bring some new insights to estimate the initial stress, earthquake triggering, and the stress field evolution .

Costly punishment and cooperation in the evolutionary snowdrift game

NASA Astrophysics Data System (ADS)

Xu, C.; Ji, M.; Yap, Yee Jiun; Zheng, Da-Fang; Hui, P. M.

2011-05-01

The role of punishments in promoting cooperation is an important issue. We incorporate costly punishments into the snowdrift game (SG) by introducing a third punishing (P) character, and study the effects. The punishers, who carry basically a cooperative (C) character, are willing to pay a cost α so as to punish a non-cooperative (D) opponent by β. Depending on the initial fractions of the characters, α, β, and the cost-to-benefit ratio r in the SG, the three-character system evolves into a steady state consisting either only of C and P characters or only of C and D characters, in a well-mixed population. The former situation represents an enhancement in cooperation relative to the SG, while the latter is similar to the SG. The dynamics in approaching these different steady states are found to be different. Analytically, the key features in the dynamics and the steady states observed in simulations are captured by a set of differential equations. The sensitivity to the initial distribution of characters is studied by depicting the flow in a phase portrait and analyzing the nature of fixed points. The analysis also shows the role of P-character agents in preventing a system from invasion by D-character agents. Starting from a population consisting only of C and P agents, a D-character agent intended to invade the system cannot survive when the initial fraction of P agents is greater than r/β. Our model, defined intentionally as a simulation algorithm, can be readily generalized to incorporate many interesting effects, such as those in a networked population.

Crack initiation modeling of a directionally-solidified nickel-base superalloy

NASA Astrophysics Data System (ADS)

Gordon, Ali Page

Combustion gas turbine components designed for application in electric power generation equipment are subject to periodic replacement as a result of cracking, damage, and mechanical property degeneration that render them unsafe for continued operation. In view of the significant costs associated with inspecting, servicing, and replacing damaged components, there has been much interest in developing models that not only predict service life, but also estimate the evolved microstructural state of the material. This thesis explains manifestations of microstructural damage mechanisms that facilitate fatigue crack nucleation in a newly-developed directionally-solidified (DS) Ni-base superalloy components exposed to elevated temperatures and high stresses. In this study, models were developed and validated for damage and life prediction using DS GTD-111 as the subject material. This material, proprietary to General Electric Energy, has a chemical composition and grain structure designed to withstand creep damage occurring in the first and second stage blades of gas-powered turbines. The service conditions in these components, which generally exceed 600°C, facilitate the onset of one or more damage mechanisms related to fatigue, creep, or environment. The study was divided into an empirical phase, which consisted of experimentally simulating service conditions in fatigue specimens, and a modeling phase, which entailed numerically simulating the stress-strain response of the material. Experiments have been carried out to simulate a variety of thermal, mechanical, and environmental operating conditions endured by longitudinally (L) and transversely (T) oriented DS GTD-111. Both in-phase and out-of-phase thermo-mechanical fatigue tests were conducted. In some cases, tests in extreme environments/temperatures were needed to isolate one or at most two of the mechanisms causing damage. Microstructural examinations were carried out via SEM and optical microscopy. A continuum crystal plasticity model was used to simulate the material behavior in the L and T orientations. The constitutive model was implemented in ABAQUS and a parameter estimation scheme was developed to obtain the material constants. A physically-based model was developed for correlating crack initiation life based on the experimental life data and predictions are made using the crack initiation model. Assuming a unique relationship between the damage fraction and cycle fraction with respect to cycles to crack initiation for each damage mode, the total crack initiation life has been represented in terms of the individual damage components (fatigue, creep-fatigue, creep, and oxidation-fatigue) observed at the end state of crack initiation.

Competing contact processes in the Watts-Strogatz network

NASA Astrophysics Data System (ADS)

Rybak, Marcin; Malarz, Krzysztof; Kułakowski, Krzysztof

2016-06-01

We investigate two competing contact processes on a set of Watts-Strogatz networks with the clustering coefficient tuned by rewiring. The base for network construction is one-dimensional chain of N sites, where each site i is directly linked to nodes labelled as i ± 1 and i ± 2. So initially, each node has the same degree k i = 4. The periodic boundary conditions are assumed as well. For each node i the links to sites i + 1 and i + 2 are rewired to two randomly selected nodes so far not-connected to node i. An increase of the rewiring probability q influences the nodes degree distribution and the network clusterization coefficient 𝓒. For given values of rewiring probability q the set 𝓝(q)={𝓝1,𝓝2,...,𝓝 M } of M networks is generated. The network's nodes are decorated with spin-like variables s i ∈ { S,D }. During simulation each S node having a D-site in its neighbourhood converts this neighbour from D to S state. Conversely, a node in D state having at least one neighbour also in state D-state converts all nearest-neighbours of this pair into D-state. The latter is realized with probability p. We plot the dependence of the nodes S final density n S T on initial nodes S fraction n S 0. Then, we construct the surface of the unstable fixed points in (𝓒, p, n S 0) space. The system evolves more often toward n S T for (𝓒, p, n S 0) points situated above this surface while starting simulation with (𝓒, p, n S 0) parameters situated below this surface leads system to n S T =0. The points on this surface correspond to such value of initial fraction n S * of S nodes (for fixed values 𝓒 and p) for which their final density is n S T=1/2.

Generalized trajectory surface-hopping method for internal conversion and intersystem crossing

NASA Astrophysics Data System (ADS)

Cui, Ganglong; Thiel, Walter

2014-09-01

Trajectory-based fewest-switches surface-hopping (FSSH) dynamics simulations have become a popular and reliable theoretical tool to simulate nonadiabatic photophysical and photochemical processes. Most available FSSH methods model internal conversion. We present a generalized trajectory surface-hopping (GTSH) method for simulating both internal conversion and intersystem crossing processes on an equal footing. We consider hops between adiabatic eigenstates of the non-relativistic electronic Hamiltonian (pure spin states), which is appropriate for sufficiently small spin-orbit coupling. This choice allows us to make maximum use of existing electronic structure programs and to minimize the changes to available implementations of the traditional FSSH method. The GTSH method is formulated within the quantum mechanics (QM)/molecular mechanics framework, but can of course also be applied at the pure QM level. The algorithm implemented in the GTSH code is specified step by step. As an initial GTSH application, we report simulations of the nonadiabatic processes in the lowest four electronic states (S0, S1, T1, and T2) of acrolein both in vacuo and in acetonitrile solution, in which the acrolein molecule is treated at the ab initio complete-active-space self-consistent-field level. These dynamics simulations provide detailed mechanistic insight by identifying and characterizing two nonadiabatic routes to the lowest triplet state, namely, direct S1 → T1 hopping as major pathway and sequential S1 → T2 → T1 hopping as minor pathway, with the T2 state acting as a relay state. They illustrate the potential of the GTSH approach to explore photoinduced processes in complex systems, in which intersystem crossing plays an important role.

Complex transitions between spike, burst or chaos synchronization states in coupled neurons with coexisting bursting patterns

NASA Astrophysics Data System (ADS)

Gu, Hua-Guang; Chen, Sheng-Gen; Li, Yu-Ye

2015-05-01

We investigated the synchronization dynamics of a coupled neuronal system composed of two identical Chay model neurons. The Chay model showed coexisting period-1 and period-2 bursting patterns as a parameter and initial values are varied. We simulated multiple periodic and chaotic bursting patterns with non-(NS), burst phase (BS), spike phase (SS), complete (CS), and lag synchronization states. When the coexisting behavior is near period-2 bursting, the transitions of synchronization states of the coupled system follows very complex transitions that begins with transitions between BS and SS, moves to transitions between CS and SS, and to CS. Most initial values lead to the CS state of period-2 bursting while only a few lead to the CS state of period-1 bursting. When the coexisting behavior is near period-1 bursting, the transitions begin with NS, move to transitions between SS and BS, to transitions between SS and CS, and then to CS. Most initial values lead to the CS state of period-1 bursting but a few lead to the CS state of period-2 bursting. The BS was identified as chaos synchronization. The patterns for NS and transitions between BS and SS are insensitive to initial values. The patterns for transitions between CS and SS and the CS state are sensitive to them. The number of spikes per burst of non-CS bursting increases with increasing coupling strength. These results not only reveal the initial value- and parameter-dependent synchronization transitions of coupled systems with coexisting behaviors, but also facilitate interpretation of various bursting patterns and synchronization transitions generated in the nervous system with weak coupling strength. Project supported by the National Natural Science Foundation of China (Grant Nos. 11372224 and 11402039) and the Fundamental Research Funds for Central Universities designated to Tongji University (Grant No. 1330219127).

Operations Research techniques in the management of large-scale reforestation programs

Treesearch

Joseph Buongiorno; D.E. Teeguarden

1978-01-01

A reforestation planning system for the Douglas-fir region of the Western United States is described. Part of the system is a simulation model to predict plantation growth and to determine economic thinning regimes and rotation ages as a function of site characteristics, initial density, reforestation costs, and management constraints. A second model estimates the...

EFFECTS OF SUNLIGHT ON CARBOXYL CONTENT OF DISSOLVED ORGANIC MATTER IN THE SATILLA RIVER OF GEORGIA, UNITED STATES

EPA Science Inventory

A study examined the effect of sunlight-initiated photo-degradation of dissolved organic matter (DOM) on its carboxyl content, and the role of oxygen and iron in this process. Solar-simulated irradiations were performed on 0.2-mm filtered water samples collected from the highly c...

A new approach to molecular dynamics with non-adiabatic and spin-orbit effects with applications to QM/MM simulations of thiophene and selenophene

NASA Astrophysics Data System (ADS)

Pederzoli, Marek; Pittner, Jiří

2017-03-01

We present surface hopping dynamics on potential energy surfaces resulting from the spin-orbit splitting, i.e., surfaces corresponding to the eigenstates of the total electronic Hamiltonian including the spin-orbit coupling. In this approach, difficulties arise because of random phases of degenerate eigenvectors and possibility of crossings of the resulting mixed states. Our implementation solves these problems and allows propagation of the coefficients both in the representation of the spin free Hamiltonian and directly in the "diagonal representation" of the mixed states. We also provide a detailed discussion of the state crossing and point out several peculiarities that were not mentioned in the previous literature. We also incorporate the effect of the environment via the quantum mechanics/molecular mechanics approach. As a test case, we apply our methodology to deactivation of thiophene and selenophene in the gas phase, ethanol solution, and bulk liquid phase. First, 100 trajectories without spin-orbit coupling have been calculated for thiophene starting both in S1 and S2 states. A subset of 32 initial conditions starting in the S2 state was then used for gas phase simulations with spin-orbit coupling utilizing the 3-step integrator of SHARC, our implementation of the 3-step propagator in Newton-X and two new "one-step" approaches. Subsequently, we carried out simulations in ethanol solution and bulk liquid phase for both thiophene and selenophene. For both molecules, the deactivation of the S2 state proceeds via the ring opening pathway. The total population of triplet states reaches around 15% and 40% after 80 fs for thiophene and selenophene, respectively. However, it only begins growing after the ring opening is initiated; hence, the triplet states do not directly contribute to the deactivation mechanism. For thiophene, the resulting deactivation lifetime of the S2 state was 68 fs in the gas phase, 76 fs in ethanol solution, and 78 fs in the liquid phase, in a good agreement with the experimental value of 80 fs (liquid phase). For selenophene, the obtained S2 lifetime was 60 fs in the gas phase and 62 fs for both ethanol solution and liquid phase. The higher rate of intersystem crossing to the triplet states in selenophene is likely the reason for the lower fluorescence observed in selenium containing polymer compounds.

No energy equipartition in globular clusters

NASA Astrophysics Data System (ADS)

Trenti, Michele; van der Marel, Roeland

2013-11-01

It is widely believed that globular clusters evolve over many two-body relaxation times towards a state of energy equipartition, so that velocity dispersion scales with stellar mass as σ ∝ m-η with η = 0.5. We show here that this is incorrect, using a suite of direct N-body simulations with a variety of realistic initial mass functions and initial conditions. No simulated system ever reaches a state close to equipartition. Near the centre, the luminous main-sequence stars reach a maximum ηmax ≈ 0.15 ± 0.03. At large times, all radial bins convergence on an asymptotic value η∞ ≈ 0.08 ± 0.02. The development of this `partial equipartition' is strikingly similar across our simulations, despite the range of different initial conditions employed. Compact remnants tend to have higher η than main-sequence stars (but still η < 0.5), due to their steeper (evolved) mass function. The presence of an intermediate-mass black hole (IMBH) decreases η, consistent with our previous findings of a quenching of mass segregation under these conditions. All these results can be understood as a consequence of the Spitzer instability for two-component systems, extended by Vishniac to a continuous mass spectrum. Mass segregation (the tendency of heavier stars to sink towards the core) has often been studied observationally, but energy equipartition has not. Due to the advent of high-quality proper motion data sets from the Hubble Space Telescope, it is now possible to measure η for real clusters. Detailed data-model comparisons open up a new observational window on globular cluster dynamics and evolution. A first comparison of our simulations to observations of Omega Cen yields good agreement, supporting the view that globular clusters are not generally in energy equipartition. Modelling techniques that assume equipartition by construction (e.g. multi-mass Michie-King models) are approximate at best.

A real time Pegasus propulsion system model for VSTOL piloted simulation evaluation

NASA Technical Reports Server (NTRS)

Mihaloew, J. R.; Roth, S. P.; Creekmore, R.

1981-01-01

A real time propulsion system modeling technique suitable for use in man-in-the-loop simulator studies was developd. This technique provides the system accuracy, stability, and transient response required for integrated aircraft and propulsion control system studies. A Pegasus-Harrier propulsion system was selected as a baseline for developing mathematical modeling and simulation techniques for VSTOL. Initially, static and dynamic propulsion system characteristics were modeled in detail to form a nonlinear aerothermodynamic digital computer simulation of a Pegasus engine. From this high fidelity simulation, a real time propulsion model was formulated by applying a piece-wise linear state variable methodology. A hydromechanical and water injection control system was also simulated. The real time dynamic model includes the detail and flexibility required for the evaluation of critical control parameters and propulsion component limits over a limited flight envelope. The model was programmed for interfacing with a Harrier aircraft simulation. Typical propulsion system simulation results are presented.

Best estimate plus uncertainty analysis of departure from nucleate boiling limiting case with CASL core simulator VERA-CS in response to PWR main steam line break event

DOE PAGES

Brown, Cameron S.; Zhang, Hongbin; Kucukboyaci, Vefa; ...

2016-09-07

VERA-CS (Virtual Environment for Reactor Applications, Core Simulator) is a coupled neutron transport and thermal-hydraulics subchannel code under development by the Consortium for Advanced Simulation of Light Water Reactors (CASL). VERA-CS was used to simulate a typical pressurized water reactor (PWR) full core response with 17x17 fuel assemblies for a main steam line break (MSLB) accident scenario with the most reactive rod cluster control assembly stuck out of the core. The accident scenario was initiated at the hot zero power (HZP) at the end of the first fuel cycle with return to power state points that were determined by amore » system analysis code and the most limiting state point was chosen for core analysis. The best estimate plus uncertainty (BEPU) analysis method was applied using Wilks’ nonparametric statistical approach. In this way, 59 full core simulations were performed to provide the minimum departure from nucleate boiling ratio (MDNBR) at the 95/95 (95% probability with 95% confidence level) tolerance limit. The results show that this typical PWR core remains within MDNBR safety limits for the MSLB accident.« less

Trp zipper folding kinetics by molecular dynamics and temperature-jump spectroscopy

PubMed Central

Snow, Christopher D.; Qiu, Linlin; Du, Deguo; Gai, Feng; Hagen, Stephen J.; Pande, Vijay S.

2004-01-01

We studied the microsecond folding dynamics of three β hairpins (Trp zippers 1–3, TZ1–TZ3) by using temperature-jump fluorescence and atomistic molecular dynamics in implicit solvent. In addition, we studied TZ2 by using time-resolved IR spectroscopy. By using distributed computing, we obtained an aggregate simulation time of 22 ms. The simulations included 150, 212, and 48 folding events at room temperature for TZ1, TZ2, and TZ3, respectively. The all-atom optimized potentials for liquid simulations (OPLSaa) potential set predicted TZ1 and TZ2 properties well; the estimated folding rates agreed with the experimentally determined folding rates and native conformations were the global potential-energy minimum. The simulations also predicted reasonable unfolding activation enthalpies. This work, directly comparing large simulated folding ensembles with multiple spectroscopic probes, revealed both the surprising predictive ability of current models as well as their shortcomings. Specifically, for TZ1–TZ3, OPLS for united atom models had a nonnative free-energy minimum, and the folding rate for OPLSaa TZ3 was sensitive to the initial conformation. Finally, we characterized the transition state; all TZs fold by means of similar, native-like transition-state conformations. PMID:15020773