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At least 469 records · Page 26

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NASA NTRS2015

Conflict Detection Performance Analysis for Function Allocation Using Time-Shifted Recorded Traffic Data

The performance of the conflict detection function in a separation assurance system is dependent on the content and quality of the data available to perform that function. Specifically, data quality and data content available to the conflict detection function have a direct impact on the accuracy of the prediction of an aircraft's future state or trajectory, which, in turn, impacts the ability to successfully anticipate potential losses of separation (detect future conflicts). Consequently, other separation assurance functions that rely on the conflict detection function - namely, conflict resolution - are prone to negative performance impacts. The many possible allocations and implementations of the conflict detection function between centralized and distributed systems drive the need to understand the key relationships that impact conflict detection performance, with respect to differences in data available. This paper presents the preliminary results of an analysis technique developed to investigate the impacts of data quality and data content on conflict detection performance. Flight track data recorded from a day of the National Airspace System is time-shifted to create conflicts not present in the un-shifted data. A methodology is used to smooth and filter the recorded data to eliminate sensor fusion noise, data drop-outs and other anomalies in the data. The metrics used to characterize conflict detection performance are presented and a set of preliminary results is discussed.

Guerreiro, Nelson M.↗

DOE OSTI2017

Concentration dependence of the wings of a dipole-broadened magnetic resonance line in magnetically diluted lattices

The singularities of the time autocorrelation functions (ACFs) of magnetically diluted spin systems with dipole–dipole interaction (DDI), which determine the high-frequency asymptotics of autocorrelation functions and the wings of a magnetic resonance line, are studied. Using the self-consistent fluctuating local field approximation, nonlinear equations are derived for autocorrelation functions averaged over the independent random arrangement of spins (magnetic atoms) in a diamagnetic lattice with different spin concentrations. The equations take into account the specificity of the dipole–dipole interaction. First, due to its axial symmetry in a strong static magnetic field, the autocorrelation functions of longitudinal and transverse spin components are described by different equations. Second, the long-range type of the dipole–dipole interaction is taken into account by separating contributions into the local field from distant and near spins. The recurrent equations are obtained for the expansion coefficients of autocorrelation functions in power series in time. From them, the numerical value of the coordinate of the nearest singularity of the autocorrelation function is found on the imaginary time axis, which is equal to the radius of convergence of these expansions. It is shown that in the strong dilution case, the logarithmic concentration dependence of the coordinate of the singularity is observed, which is caused by the presence of a cluster of near spins whose fraction is small but contribution to the modulation frequency is large. As an example a silicon crystal with different {sup 29}Si concentrations in magnetic fields directed along three crystallographic axes is considered.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Exact time-dependent density-functional theory for nonperturbative dynamics of the helium atom

By inverting the time-dependent Kohn-Sham equation for a numerically exact dynamics of the helium atom, we show that the dynamical step and peak features of the exact correlation potential found previously in one-dimensional models persist for real three-dimensional systems. We demonstrate that the Kohn-Sham and true current-densities differ by a rotational component. The results have direct implications for approximate TDDFT calculations of atoms and molecules in strong fields, emphasizing the need to go beyond the adiabatic approximation, and highlighting caution in quantitative use of the Kohn-Sham current.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2015

Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals

We present a solution of the full time-dependent density-functional theory (TDDFT) eigenvalue equation in the linear response formalism exhibiting a linear-scaling computational complexity with system size, without relying on the simplifying Tamm-Dancoff approximation (TDA). The implementation relies on representing the occupied and unoccupied subspaces with two different sets of in situ optimised localised functions, yielding a very compact and efficient representation of the transition density matrix of the excitation with the accuracy associated with a systematic basis set. The TDDFT eigenvalue equation is solved using a preconditioned conjugate gradient algorithm that is very memory-efficient. The algorithm is validated on a small test molecule and a good agreement with results obtained from standard quantum chemistry packages is found, with the preconditioner yielding a significant improvement in convergence rates. The method developed in this work is then used to reproduce experimental results of the absorption spectrum of bacteriochlorophyll in an organic solvent, where it is demonstrated that the TDA fails to reproduce the main features of the low energy spectrum, while the full TDDFT equation yields results in good qualitative agreement with experimental data. Furthermore, the need for explicitly including parts of the solvent into the TDDFT calculations is highlighted, making the treatment of large system sizes necessary that are well within reach of the capabilities of the algorithm introduced here. Finally, the linear-scaling properties of the algorithm are demonstrated by computing the lowest excitation energy of bacteriochlorophyll in solution. The largest systems considered in this work are of the same order of magnitude as a variety of widely studied pigment-protein complexes, opening up the possibility of studying their properties without having to resort to any semiclassical approximations to parts of the protein environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

NOx speciation from copper dissolution in nitric acid/water solutions using FTIR spectroscopy

The speciation of NO 2 , NO, and N 2 O gases formed from the dissolution of copper in nitric acid is measured and characterized using Fourier-transform infrared (FTIR) spectroscopy. This study describes analysis of the gas phase species formed and ingrowths of their concentrations as a function of time. Acid concentrations range from 14 to 4 M and the NO 2 , NO, and N 2 O are analyzed using FTIR between 1585 and 2209 wavenumbers. The concentrations of the gases range from 0 to 230 ppm and change over time and as a function of acid concentration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2013

Effect of low and high storage temperatures on head space gas concentrations and physical properties of wood pellets

Headspace gas concentrations and wood pellet properties were studied in sealed glass canisters at 5–40 degrees C storage temperatures. CO2 and CO concentrations at 5, 10, 20 and 40 degrees C at the end of 23–28 days of storage were 1600 and 200, 4700 and 1200, and 31 200 and 15 800 parts per million by volume (ppmv) respectively. Corresponding O2 concentration was about 19•49, 19•20, 18•0 and 2•07% respectively. Non-linear regression equations adequately described the gas concentrations in the storage container as a function of time. Safe level estimation functions developed were linear for O2 and logarithmic for CO and CO2 concentrations. Measured pellet properties moisture, length, diameter, unit, bulk and tapped density, durability, calorific value, ash content and per cent fines were in the range of 4•6–5•02%, 14–15 mm, 6•4–6•5 mm, 1125–1175 kg m-3, 750–770 kg m-3, 825–840 kg m-3, 73–74%, 18•32–18•78 MJ kg-1, 0•65–0•74% and 0•13–0•15%. Durability values of pellets decreased by 13% at 40 degrees C storage temperature and other properties changed marginally.

09 BIOMASS FUELS↗

DOE OSTI2014

A Framework Including Recombination for Analyzing the Dynamics of Within-Host HIV Genetic Diversity

This paper presents a novel population genetic model and a computationally and statistically tractable framework for analyzing within-host HIV diversity based on serial samples of HIV DNA sequences. This model considers within-host HIV evolution during the chronic phase of infection and assumes that the HIV population is homogeneous at the beginning, corresponding to the time of seroconversion, and evolves according to the Wright-Fisher reproduction model with recombination and variable mutation rate across nucleotide sites. In addition, the population size and generation time vary over time as piecewise constant functions of time. Under this model I approximate the genealogical and mutational processes for serial samples of DNA sequences by a continuous coalescent-recombination process and an inhomogeneous Poisson process, respectively. Based on these derivations, an efficient algorithm is described for generating polymorphisms in serial samples of DNA sequences under the model including various substitution models. Extensions of the algorithm are also described for other demographic scenarios that can be more suitable for analyzing the dynamics of genetic diversity of other pathogens in vitro and in vivo . For the case of the infinite-sites model, I derive analytical formulas for the expected number of polymorphic sites in sample of DNA sequences, and apply the developed simulation and analytical methods to explore the fit of the model to HIV genetic diversity based on serial samples of HIV DNA sequences from 9 HIV-infected individuals. The results particularly show that the estimates of the ratio of recombination rate over mutation rate can vary over time between very high and low values, which can be considered as a consequence of the impact of selection forces.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

TEMPORAL VARIABILITY FROM THE TWO-COMPONENT ADVECTIVE FLOW SOLUTION AND ITS OBSERVATIONAL EVIDENCE

In the propagating oscillatory shock model, the oscillation of the post-shock region, i.e., the Compton cloud, causes the observed low-frequency quasi-periodic oscillations (QPOs). The evolution of QPO frequency is explained by the systematic variation of the Compton cloud size, i.e., the steady radial movement of the shock front, which is triggered by the cooling of the post-shock region. Thus, analysis of the energy-dependent temporal properties in different variability timescales can diagnose the dynamics and geometry of accretion flows around black holes. We study these properties for the high-inclination black hole source XTE J1550-564 during its 1998 outburst and the low-inclination black hole source GX 339-4 during its 2006–07 outburst using RXTE /PCA data, and we find that they can satisfactorily explain the time lags associated with the QPOs from these systems. We find a smooth decrease of the time lag as a function of time in the rising phase of both sources. In the declining phase, the time lag increases with time. We find a systematic evolution of QPO frequency and hard lags in these outbursts. In XTE J1550-564, the lag changes from hard to soft (i.e., from a positive to a negative value) at a crossing frequency (ν {sub c}) of ∼3.4 Hz. We present possible mechanisms to explain the lag behavior of high and low-inclination sources within the framework of a single two-component advective flow model.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1973

Conic state extrapolation

The Conic State Extrapolation Routine provides the capability to conically extrapolate any spacecraft inertial state vector either backwards or forwards as a function of time or as a function of transfer angle. It is merely the coded form of two versions of the solution of the two-body differential equations of motion of the spacecraft center of mass. Because of its relatively fast computation speed and moderate accuracy, it serves as a preliminary navigation tool and as a method of obtaining quick solutions for targeting and guidance functions. More accurate (but slower) results are provided by the Precision State Extrapolation Routine.

Shepperd, S. W.↗

NASA NTRS1984

Short-term X-ray variability of the globular cluster source 4U 1820 - 30 (NGC 6624)

Analytical techniques for improved identification of the temporal and spectral variability properties of globular cluster and galactic bulge X-ray sources are described in terms of their application to a large set of observations of the source 4U 1820 - 30 in the globular cluster NGC 6624. The autocorrelation function, cross-correlations, time skewness function, erratic periodicities, and pulse trains are examined. The results are discussed in terms of current models with particular emphasis on recent accretion disk models. It is concluded that the analyzed observations provide the first evidence for shot-noise variability in a globular cluster X-ray source.

Stella, L.↗

NASA NTRS1987

Software-implemented fault insertion: An FTMP example

This report presents a model for fault insertion through software; describes its implementation on a fault-tolerant computer, FTMP; presents a summary of fault detection, identification, and reconfiguration data collected with software-implemented fault insertion; and compares the results to hardware fault insertion data. Experimental results show detection time to be a function of time of insertion and system workload. For the fault detection time, there is no correlation between software-inserted faults and hardware-inserted faults; this is because hardware-inserted faults must manifest as errors before detection, whereas software-inserted faults immediately exercise the error detection mechanisms. In summary, the software-implemented fault insertion is able to be used as an evaluation technique for the fault-handling capabilities of a system in fault detection, identification and recovery. Although the software-inserted faults do not map directly to hardware-inserted faults, experiments show software-implemented fault insertion is capable of emulating hardware fault insertion, with greater ease and automation.

Czeck, Edward W.↗

NASA NTRS1992

Crustal deformation along the San Andreas, California

The goal is to achieve a better understanding of the regional and local deformation and crustal straining processes in western North America, particularly the effects of the San Andreas and nearby faults on the spatial and temporal crustal deformation behavior. Construction of theoretical models based on the mechanics of coupled elastic plate, viscoelastic foundation and large scale crack mechanics provide a rational basis for the interpretation of seismic and aseismic anomalies and expedite efforts in forecasting the stability of plate boundary deformation. Special focus is placed on the three dimensional time dependent surface deformation due to localized slippage in a elastic layer coupled to a visco-elastic substrate. The numerical analysis is based on a 3-D boundary element technique. Extension to visco-elastic coupling demands the derivation of 3-D time dependent Green's function. This method was applied to analyze the viscoelastic surface displacements due to a dislocated embedded patch. Surface uplift as a function of time and position are obtained. Comparisons between surface uplift for long and short dislocated patches are made.

Li, Victor C.↗

NASA NTRS2009

Numerical Evaluation of the "Dual-Kernel Counter-flow" Matric Convolution Integral that Arises in Discrete/Continuous (D/C) Control Theory

Discrete/Continuous (D/C) control theory is a new generalized theory of discrete-time control that expands the concept of conventional (exact) discrete-time control to create a framework for design and implementation of discretetime control systems that include a continuous-time command function generator so that actuator commands need not be constant between control decisions, but can be more generally defined and implemented as functions that vary with time across sample period. Because the plant/control system construct contains two linear subsystems arranged in tandem, a novel dual-kernel counter-flow convolution integral appears in the formulation. As part of the D/C system design and implementation process, numerical evaluation of that integral over the sample period is required. Three fundamentally different evaluation methods and associated algorithms are derived for the constant-coefficient case. Numerical results are matched against three available examples that have closed-form solutions.

Nixon, Douglas D.↗

DOE OSTI2020

Systems and methods for spatiotemporal control of a laser and applications of same

Methods and systems are disclosed for using a chromatic lens system to provide a “flying focus”—i.e., an advanced focusing scheme enabling spatiotemporal control of a focal location. In a method, a photon beam is emitted from a source at a wavelength. The photon beam may have more than one wavelength. The photon beam is focused to a focal location using a chromatic lens system. The focal location is at a first longitudinal distance along an optical axis from the chromatic lens system. The wavelength of the photon beam is changed as a function of time to change the focal location as a function of time. The wavelength may be changed such that the focal location changes with a focal velocity.

Froula, Dustin H.↗

DOE OSTI2021

Systems and methods for spatiotemporal control of a laser and applications of same

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1989

Dynamical behavior of surface tension on rotating fluids in low and microgravity environments

Consideration is given to the time-dependent evolutions of the free surface profile (bubble shapes) of a cylindrical container, partially filled with a Newtonian fluid of constant density, rotating about its axis of symmetry in low and microgravity environments. The dynamics of the bubble shapes are calculated for four cases: linear time-dependent functions of spin-up and spin-down in low and microgravity, linear time-dependent functions of increasing and decreasing gravity at high and low rotating cylinder speeds, time-dependent step functions of spin-up and spin-down in low gravity, and sinusoidal function oscillation of the gravity environment in high and low rotating cylinder speeds. It is shown that the computer algorithms developed by Hung et al. (1988) may be used to simulate the profile of time-dependent bubble shapes under variations of centrifugal, capillary, and gravity forces.

Hung, R. J.↗

DOE OSTI2016

Time-dependent density-functional theory simulation of local currents in pristine and single-defect zigzag graphene nanoribbons

The spatial current distribution in H-terminated zigzag graphene nanoribbons (ZGNRs) under electrical bias is investigated using time-dependent density-functional theory solved on a real-space grid. A projected complex absorbing potential is used to minimize the effect of reflection at simulation cell boundary. The calculations show that the current flows mainly along the edge atoms in the hydrogen terminated pristine ZGNRs. When a vacancy is introduced to the ZGNRs, loop currents emerge at the ribbon edge due to electrons hopping between carbon atoms of the same sublattice. The loop currents hinder the flow of the edge current, explaining the poor electric conductance observed in recent experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Regarding the use and misuse of retinal protonated Schiff base photochemistry as a test case for time-dependent density-functional theory

The excited-state relaxation of retinal protonated Schiff bases (PSBs) is an important test case for biological applications of time-dependent (TD) density-functional theory (DFT). While well-known shortcomings of approximate TD-DFT might seem discouraging for application to PSB relaxation, progress continues to be made in the development of new functionals and of criteria allowing problematic excitations to be identified within the framework of TD-DFT itself. Furthermore, experimental and theoretical ab initio advances have recently lead to a revised understanding of retinal PSB photochemistry, calling for a reappraisal of the performance of TD-DFT in describing this prototypical photoactive system. Here, we re-investigate the performance of functionals in (TD-)DFT calculations in light of these new benchmark results, which we extend to larger PSB models. We focus on the ability of the functionals to describe primarily the early skeletal relaxation of the chromophore and investigate how far along the out-of-plane pathways these functionals are able to describe the subsequent rotation around formal single and double bonds. Conventional global hybrid and range-separated hybrid functionals are investigated as the presence of Hartree-Fock exchange reduces problems with charge-transfer excitations as determined by the Peach-Benfield-Helgaker-Tozer Λ criterion and by comparison with multi-reference perturbation theory results. While we confirm that most functionals cannot render the complex photobehavior of the retinal PSB, do we also observe that LC-BLYP gives the best description of the initial part of the photoreaction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗