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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Competitive autocatalytic reactions in chaotic flows with diffusion: Prediction using finite-time Lyapunov exponents
We investigate chaotic advection and diffusion in autocatalytic reactions for time-periodic sine flow computationally using a mapping method with operator splitting. We specifically consider three different autocatalytic reaction schemes: a single autocatalytic reaction, competitive autocatalytic reactions, which can provide insight into problems of chiral symmetry breaking and homochirality, and competitive autocatalytic reactions with recycling. In competitive autocatalytic reactions, species B and C both undergo an autocatalytic reaction with species A such that A+B→2B and A+C→2C. Small amounts of initially spatially localized B and C and a large amount of spatially homogeneous A are advected by the velocity field, diffuse, and react until A is completely consumed and only B and C remain. We find that local finite-time Lyapunov exponents (FTLEs) can accurately predict the final average concentrations of B and C after the reaction completes. The species that starts in the region with the larger FTLE has, with high probability, the larger average concentration at the end of the reaction. If B and C start in regions with similar FTLEs, their average concentrations at the end of the reaction will also be similar. When a recycling reaction is added, the system evolves towards a single species state, with the FTLE often being useful in predicting which species fills the entire domain and which is depleted. The FTLE approach is also demonstrated for competitive autocatalytic reactions in journal bearing flow, an experimentally realizable flow that generates chaotic dynamics.
Constant pressure and temperature discrete-time Langevin molecular dynamics
We present a new and improved method for simultaneous control of temperature and pressure in molecular dynamics simulations with periodic boundary conditions. The thermostat-barostat equations are built on our previously developed stochastic thermostat, which has been shown to provide correct statistical configurational sampling for any time step that yields stable trajectories. Here, we extend the method and develop a set of discrete-time equations of motion for both particle dynamics and system volume in order to seek pressure control that is insensitive to the choice of the numerical time step. The resulting method is simple, practical, and efficient. The method is demonstrated through direct numerical simulations of two characteristic model systems—a one-dimensional particle chain for which exact statistical results can be obtained and used as benchmarks, and a three-dimensional system of Lennard-Jones interacting particles simulated in both solid and liquid phases. The results, which are compared against the method of Kolb and Dünweg [J. Chem. Phys. 111, 4453 (1999)], show that the new method behaves according to the objective, namely that acquired statistical averages and fluctuations of configurational measures are accurate and robust against the chosen time step applied to the simulation.
A time-implicit numerical method and benchmarks for the relativistic Vlasov–Ampere equations
We present a time-implicit numerical method to solve the relativistic Vlasov–Ampere system of equations on a two dimensional phase space grid. The time-splitting algorithm we use allows the generalization of the work presented here to higher dimensions keeping the linear aspect of the resulting discrete set of equations. The implicit method is benchmarked against linear theory results for the relativistic Landau damping for which analytical expressions using the Maxwell-Jüttner distribution function are derived. We note that, independently from the shape of the distribution function, the relativistic treatment features collective behaviours that do not exist in the nonrelativistic case. The numerical study of the relativistic two-stream instability completes the set of benchmarking tests.
A direct electron detector for time-resolved MeV electron microscopy
The introduction of direct electron detectors enabled the structural biology revolution of cryogenic electron microscopy. Direct electron detectors are now expected to have a similarly dramatic impact on time-resolved MeV electron microscopy, particularly by enabling both spatial and temporal jitter correction. Here in this paper, we report on the commissioning of a direct electron detector for time-resolved MeV electron microscopy. The direct electron detector demonstrated MeV single electron sensitivity and is capable of recording megapixel images at 180 Hz. The detector has a 15-bit dynamic range, better than 30-μm spatial resolution and less than 20 analogue-to-digital converter count RMS pixel noise. The unique capabilities of the direct electron detector and the data analysis required to take advantage of these capabilities are presented. The technical challenges associated with generating and processing large amounts of data are also discussed.
Time-resolved and multiple-angle Thomson scattering on gas-puff Z-Pinch plasmas at pinch time
A 526.5 nm Thomson scattering diagnostic laser enables probing of the plasma conditions of neon gas-puff z-pinch implosions with temporal resolution. Splitting the laser into two 2.5 J pulses, both 2.3 ns in duration and separated by 4 ns, allows observation of sub-nanosecond time-resolved spectra for a total time of 7 ns. Collection optics were set at 90° and 30° to the laser, observing the same on-axis scattering volume with a radial extent of 0.4 mm. The spectra from both angles were collected by using the same streak camera, using a coupling system that allowed us to obtain temporal, spectral, and angular resolution in the same image. By comparing the ion-acoustic spectra from the two angles, we determined electron temperature and a range of possible electron densities. Measurements made in the 1-3 ns period before pinch time show best fit (determined by a least-squares method) electron densities of around 2 × 10 19 cm -3 , increasing to 1.5 × 10 20 cm -3 in the 3 ns following the start of the x-ray burst (t = 0 ns) from the pinch. The electron temperature increases from 300 eV to 500 eV at t = 0 ns before decreasing to below 300 eV after pinch time. With the present parameters (probe beam, collection angles, and electron temperature and density), this diagnostic method is too insensitive to electron density to provide more than a constraint on that parameter. Plasma regimes in which this technique could determine electron density with some precision are calculated.
Experimental setup combining in situ hard X-ray photoelectron spectroscopy and real-time surface X-ray diffraction for characterizing atomic and electronic structure evolution during complex oxide heterostructure growth
We describe the next-generation system for in situ characterization of a complex oxide thin film and heterostructure growth by pulsed laser deposition (PLD) using synchrotron hard X-rays. The system consists of a PLD chamber mounted on a diffractometer allowing both real-time surface X-ray diffraction (SXRD) and in situ hard X-ray photoelectron spectroscopy (HAXPES). HAXPES is performed in the incident X-ray energy range from 4 to 12 keV using a Scienta EW4000 electron energy analyzer mounted on the PLD chamber fixed parallel with the surface normal. In addition to the standard application mode of HAXPES for disentangling surface from bulk properties, the increased penetration depth of high energy photoelectrons is used for investigation of the electronic structure changes through thin films grown deliberately as variable thickness capping layers. Such heterostructures represent model systems for investigating a variety of critical thickness and dead layer phenomena observed at complex oxide interfaces. In this new mode of operation, in situ HAXPES is used to determine the electronic structure associated with unique structural features identified by real-time SXRD during thin film growth. The system is configured for using both laboratory excitation sources off-line and on-line operation at beamline 33-ID-D at the Advanced Photon Source. We illustrate the performance of the system by preliminary scattering and spectroscopic data on oxygen vacancy ordering induced perovskite-to-brownmillerite reversible phase transformation in La 2/3 Sr 1/3 MnO 3 films capped with oxygen deficient SrTiO 3–δ (100) layers of varying thickness.
Cinema:Snap: Real-time tools for analysis of dynamic diamond anvil cell experiment data
We report we developed tools and a workflow for real-time analysis of data from dynamic diamond anvil cell experiments performed at user light sources. These tools allow users to determine the phases of matter observed during the compression of materials in order to make decisions during an experiment to improve the quality of experimental results and maximize the use of scarce experimental facility time. The tools fill a gap in dynamic compression data analysis tools that are real-time, are flexible to the needs of high-pressure scientists, connect to automated processing of results, can be easily incorporated into workflows with existing tools and data formats, and support remote experimental data analysis workflows. Specific analytics developed include novel automated two-peak analysis for overlapping peaks and multiple phases, coordinated views of pressure and temperature values, full-compression contour plots, and configurable views of integrated x-ray diffraction. We present an experimental use case to show how the tools produce real-time analytics that help the scientists revise parameters for the next compression
Translocating ratsnakes: does enrichment offset negative effects of time in captivity?
Context: Wildlife translocation is a conservation tool with mixed success. Evidence suggests that longer time in captivity may negatively affect an animal’s post-release behaviour and survival. However, environmental enrichment may reduce the deleterious effects of captivity for animals that are going to be released into the wild. Aims: The aim of the present study was to compare first-year post-release survival and behaviour of translocated ratsnakes (Pantherophis obsoletus) held captive for varying durations (1–7 years) either with or without enrichment, with that of resident and wild-to-wild (W–W)-translocated ratsnakes. Key results: Being in captivity before release negatively affected survival; 11 of 19 (57.9%) captive snakes died or were removed from the study within 12 months, compared with 3 of 11 (27.3%) resident snakes and none of five (0%) W–W snakes. Furthermore, survival probability declined the longer a snake had been in captivity. Six of the seven snakes (86%) that we released that had been in captivity for four or more years before release died during this study, regardless of whether they were enriched or not. Although W–W-translocated ratsnakes moved more often and further than did snakes in other groups, this difference was apparent only in the first month post-release. We found no evidence that abnormal movement patterns or winter behaviour was the cause of reduced survival for captive snakes. Instead, our data suggested that spending time in captivity reduced concealment behaviour of snakes, which likely increased the vulnerability of snakes to predators. Captivity also compromised the foraging ability of some of the snakes. Although there were no overall differences in percentage weight change among the four groups, two snakes (one enriched, one unenriched) were removed from the study because of extreme weight loss (>30%). Conclusions: Our results suggested that environmental enrichment did not offset the negative effects of captivity on ratsnakes and that the likely mechanism responsible for low survival was vulnerability to predators. Implications: Whether extended periods in captivity render other species unsuitable for translocation, how long it takes for captivity to have deleterious effects, and whether environmental enrichment is also ineffective at offsetting captivity effects in other species remain to be determined.
Variable Dynamic Mode Decomposition for Estimating Time Eigenvalues in Nuclear Systems
Not provided.
Three-terminal magnetic tunnel junction synapse circuits with spike-timing-dependent plasticity.
Abstract not provided.
Late-time structure of the Bunch-Davies de Sitter wavefunction
We examine the late time behavior of the Bunch-Davies wavefunction for interacting light fields in a de Sitter background. We use perturbative techniques developed in the framework of AdS/CFT, and analytically continue to compute tree and loop level contributions to the Bunch-Davies wavefunction. We consider self-interacting scalars of general mass, but focus especially on the massless and conformally coupled cases. We show that certain contributions grow logarithmically in conformal time both at tree and loop level. We also consider gauge fields and gravitons. The four-dimensional Fefferman-Graham expansion of classical asymptotically de Sitter solutions is used to show that the wavefunction contains no logarithmic growth in the pure graviton sector at tree level. Finally, assuming a holographic relation between the wavefunction and the partition function of a conformal field theory, we interpret the logarithmic growths in the language of conformal field theory.
Pulsar timing anomalies: a window into baryon number violation
Here, we investigate the influence of a specific class of slow Baryon Number Violation (BNV)—one that induces quasi-equilibrium evolution — on pulsar spin characteristics. This work reveals how BNV can potentially alter observable parameters, including spin-down rates, the second derivative of spin frequency, and braking indices of pulsars. Moreover, we demonstrate that BNV could lead to anomalies in pulsar timing, along with a wide array of braking indices, both positive and negative. In addition, we examine the possibility of pulsar spin-up due to BNV, which may result in a novel mechanism for the revival of “dead” pulsars. We conclude by assessing the sensitivity required for future pulsar timing efforts to detect such BNV effects, thus highlighting the potential for pulsars to serve as laboratories for testing fundamental physics.
Photon detector system timing performance in the DUNE 35-ton prototype liquid argon time projection chamber
Here, the 35-ton prototype for the Deep Underground Neutrino Experiment far detector was a single-phase liquid argon time projection chamber with an integrated photon detector system, all situated inside a membrane cryostat. The detector took cosmic-ray data for six weeks during the period of February 1, 2016 to March 12, 2016. The performance of the photon detection system was checked with these data. An installed photon detector was demonstrated to measure the arrival times of cosmic-ray muons with a resolution better than 32 ns, limited by the timing of the trigger system. A measurement of the timing resolution using closely-spaced calibration pulses yielded a resolution of 15 ns for pulses at a level of 6 photo-electrons. Scintillation light from cosmic-ray muons was observed to be attenuated with increasing distance with a characteristic length of $155 \pm 28$ cm.
Real-time quantum calculations of phase shifts using wave packet time delays
We present a method to extract the phase shift of a scattering process using the real-time evolution in the early and intermediate stages of the collision in order to estimate the time delay of a wave packet. This procedure is convenient when using noisy quantum computers for which the asymptotic out-state behavior is unreachable. We demonstrate that the challenging Fourier transforms involved in the state preparation and measurements can be implemented in 1+1 dimensions with current trapped ion devices and IBM quantum computers. We compare quantum computations of the time delays obtained in the one-particle quantum mechanics limit and the scalable quantum field theory formulation with accurate numerical results. We discuss the finite volume effects in the Wigner formula connecting time delays to phase shifts. The results reported involve two- and four-qubit calculations, and we discuss the possibility of larger scale computations in the near future.
Deep Learning for Vertex Reconstruction of Neutrino-nucleus Interaction Events with Combined Energy and Time Data
We present a deep learning approach for vertex reconstruction of neutrino-nucleus interaction events, a problem in the domain of high energy physics. In this approach, we combine both energy and timing data that are collected in the MIN-ERvA detector to perform classification and regression tasks. We show that the resulting network achieves higher accuracy than previous results while requiring a smaller model size and less training time. In particular, the proposed model outperforms the state-of-the-art by 4.00% on classification accuracy. For the regression task, our model achieves 0.9919 on the coefficient of determination, higher than the previous work (0.96).
Embedding spatial decomposition in parareal in time power system simulation
We propose an approach for combining two decompositions in power system simulation, temporal and spatial, with a goal to achieve faster simulation time than utilizing either one of them alone. The proposed approach builds upon the structure of the Parareal algorithm for temporal decomposition and explores an efficient way of embedding the spatial decomposition into its coarse and fine solutions. This introduces two types of simultaneous parallelism in power system simulations - parallelism between system areas and between coarse integration intervals for time integration. The results from the application of the proposed approach are shown on a two-area system comprised of the IEEE 16-machine, 68-bus, and the IEEE 50-machine, 145-bus system.
Distributed Energy Resources Coordination over Time-varying Directed Communication Networks
In this paper, we consider an optimal coordination problem for distributed energy resources (DERs) including distributed generators and energy storage devices. We first propose an algorithm based on the push-sum and gradient method to optimally coordinate storage devices and distributed generators in a distributed manner. In the proposed algorithm, each DER only maintains a set of variables and updates them through information exchange with a few neighboring DERs over a time-varying directed communication network. We show that the proposed distributed algorithm with appropriately chosen step-sizes solve the optimal DER coordination problem if the time-varying directed communication network is uniformly jointly strongly connected, which is a mild condition on the connectivity of communication topologies. The proposed distributed algorithm is illustrated and validated by numerical simulations.