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A stochastic approach to time-dependent density functional theory is developed for computing the absorption cross section and the random phase approximation (RPA) correlation energy. The core idea of the approach involves time-propagation of a small set of stochastic orbitals which are first projected on the occupied space and then propagated in time according to the time-dependent Kohn-Sham equations. The evolving electron density is exactly represented when the number of random orbitals is infinite, but even a small number (≈16) of such orbitals is enough to obtain meaningful results for absorption spectrum and the RPA correlation energy per electron. We implement the approach for silicon nanocrystals using real-space grids and find that the overall scaling of the algorithm is sublinear with computational time and memory.
SAS-3 observations of Cyg X-1 in October 1976 show the source to be in a highly active state exhibiting rapid continual flaring on time scales of 1 to 10 s. The flares exhibit temporal structure and variable spectra, but their mean spectrum is similar to that of the source as a whole. The characteristic time scales of the source are 2 to 4 times longer than those previously observed. It is suggested that this active phase of Cyg X-1 signals a modified accretion-disk structure. The flares may result from correlated bunches of the same 'shots ' which are thought to explain the rest of the short-time-scale variability of the source. While the flares superficially resemble X-ray bursts, they are distinct in several respects.
The potential for damage, the magnitude of the extrapolation, and the importance of the atypical—incidents that occur once in a thousand shots—make theory and simulation essential for ensuring that relativistic runaway electrons will not prevent ITER from achieving its mission. Most of the theoretical literature on electron runaway assumes magnetic surfaces exist. ITER planning for the avoidance of halo and runaway currents is focused on massive gas or shattered-pellet injection of impurities. In simulations of experiments, such injections lead to a rapid large-scale magnetic-surface breakup. Surface breakup, which is a magnetic reconnection, can occur on a quasi-ideal Alfvénic time scale when the resistance is sufficiently small. Nevertheless, the removal of the bulk of the poloidal flux, as in halo-current mitigation, is on a resistive time scale. The acceleration of electrons to relativistic energies requires the confinement of some tubes of magnetic flux within the plasma and a resistive time scale. The interpretation of experiments on existing tokamaks and their extrapolation to ITER should carefully distinguish confined versus unconfined magnetic field lines and quasi-ideal versus resistive evolution. The separation of quasi-ideal from resistive evolution is extremely challenging numerically, but is greatly simplified by constraints of Maxwell’s equations, and in particular those associated with magnetic helicity. Thus, the physics of electron runaway along confined magnetic field lines is clarified by relations among the poloidal flux change required for an e-fold in the number of electrons, the energy distribution of the relativistic electrons, and the number of relativistic electron strikes that can be expected in a single disruption event.
In this paper, we explain a recent experimental observation that the time-resolved electron paramagnetic resonance spectra of an organic molecule for optical excitation within a highly absorbing region of the molecule has similar intensities to the spectra for optical excitation in a nonabsorbing region [D. L. Meyer et al., J. Phys. Chem. Lett. 8, 1677 (2017)]. We demonstrate that this phenomenon is due to an initial-state preparation effect of photoexcitation that leads to similar initial populations of triplet states for both optical excitation regions. Due to the low intersystem crossing rates, the initial triplet populations are not perturbed on the time scale of the experiment, so they determine the relative intensities of the paramagnetic resonance spectra. The effect is surprising given the weak spin-orbit interactions of organic molecules. Such initial-state preparation effects are likely to occur in systems where the intersystem crossing time scales are long compared to the time scale of the experiment.
The neural ordinary differential equation (ODE) framework has shown considerable promise in recent years in developing highly accelerated surrogate models for complex physical systems characterized by partial differential equations (PDEs). For PDE-based systems, state-of-the-art neural ODE strategies leverage a two-step procedure to achieve this acceleration: a nonlinear dimensionality reduction step provided by an autoencoder, and a time integration step provided by a neural-network based model for the resultant latent space dynamics (the neural ODE). This work explores the applicability of such autoencoder-based neural ODE strategies for PDEs in which advection terms play a critical role. More specifically, alongside predictive demonstrations, physical insight into the sources of model acceleration (i.e., how the neural ODE achieves its acceleration) is the scope of the current study. Such investigations are performed by quantifying the effects of both autoencoder and neural ODE components on latent system time-scales using eigenvalue analysis of dynamical system Jacobians. To this end, the sensitivity of various critical training parameters – de-coupled versus end-to-end training, latent space dimensionality, and the role of training trajectory length, for example – to both model accuracy and the discovered latent system timescales is quantified. Furthermore, this work specifically uncovers the key role played by the training trajectory length (the number of rollout steps in the loss function during training) on the latent system timescales: larger trajectory lengths correlate with an increase in limiting neural ODE time-scales, and optimal neural ODEs are found to recover the largest time-scales of the full-order (ground-truth) system. Demonstrations are performed across fundamentally different unsteady fluid dynamics configurations influenced by advection: (1) the Kuramoto–Sivashinsky equations (2) Hydrogen-Air channel detonations (the compressible reacting Navier–Stokes equations with detailed chemistry), and (3) 2D Atmospheric flow.
Many of the features that are thought of as biosignatures - including the mediation of chemical and physical processes with speed, specificity, and selectivity - result directly or indirectly from life's unique capability to mediate and direct energy flux. As such, it is important to consider the impact that differences in energy flux may have on the quantity and quality of evidence for life. Earth differs from every other body in our solar system in the magnitude of biologically-usable energy flux into a liquid water environment. On a global basis, the capture of light energy into photosynthesis and the flux of chemical energy represented in the products of that photosynthesis (organic material + O2) are about six and four orders of magnitude larger, respectively, than the flux of energy represented in geochemical sources. Our conception of what an inhabited world "looks like" and our intuition about how to search for life are based in this high-energy context. Energy fluxes on worlds beyond Earth may be better approximated by the million-fold smaller flux provided to Earth's biosphere by geochemical sources. As a result, the nature, abundance, and quality of evidence for life that could be expected on an inhabited extraterrestrial world within our solar system may differ profoundly from that found on Earth. Understanding this potential difference in quantitative terms provides important context for the formulation of life detection strategies. The influence of energy flux on biosignatures can be evaluated through reference to the two basic purposes into which life partitions energy flux: (1) Life expends energy to sustain existing biomass in a metabolic steady state (metabolically functional but non-growing). The formal representation of this relationship in the traditional microbiology literature equates biomass directly with energy flux. The direct implication is that worlds having lower energy flux will have correspondingly lower potential to support biomass. Life detection strategies that directly target extant organisms should therefore be prepared to encounter average biomass densities that may be many orders of magnitude smaller than those found in most of Earth's surface environments (2) Life expends energy to synthesize new biomass. An end-member case in which new biomass is created at the energy-limited rate and the corresponding cells are immediately destroyed (so that the energy partitioned to cell maintenance is minimized) establishes an upper bound on the rate at which biological material can enter a bulk global pool. For a specified bulk concentration [i] of any particular biological compound, i, or for biologically produced matter overall, this synthesis rate, R (sub i), defines a characteristic time scale tau (sub i) equals [i] divided by R (sub i). tau (sub i) can be thought of as (a) the minimum time required for biosynthesis to yield a specific bulk concentration (e.g., a detection threshold) of i, and (b) the average residence time of i within a bulk pool when [i] is held in steady state through a balance between biosynthesis and attrition by physical, chemical, or biological consumption. tau (sub i) becomes an important quantity in considering the potential utility of enantiomeric excess (as a product of homochiral biosynthesis) as a biosignature. Spontaneous racemization of amino acids acts to "erase" the signature of homochiral synthesis over time scales that may range from hundreds to hundreds of thousands of years, depending on temperature. For environments in which low energy flux translates to low rates of biosynthesis, including the synthesis of homochiral amino acids, amino acid residence times in pools having detectable concentrations may compare to or significantly exceed the time scale for racemization. This and similar consequences of long residence times should be considered in the formulation of life detection strategies based on detection of biologically-produced species. Fluxes of biologically-useful energy on potentially habitable worlds within our solar system are, at present, not well constrained. Improving such constraint has the potential to inform priorities in the formulation and targeting of search-for-life strategies, based on the implications of energy flux for the abundance and quality of biosignatures overall, and in specific categories.
Fundamental observations of particle size distributions are needed to develop models that predict the fate and transport of radioactive materials in the atmosphere following a nuclear incident. The extent of material transport is influenced by the time scales of particle formation processes (e.g., condensation, coagulation). In this study, we investigated the influence of cooling time scales on size distributions of uranium, aluminum, and iron oxide particles that are synthesized separately under identical run conditions inside the controlled environment of an argon plasma flow reactor. Two distinct temperature distributions are imposed along the flow reactor by varying the argon flow rate downstream of the plasma torch. The vaporized reactants of uranium, aluminum, and iron are cooled from about 5000K to 1000K before they are collected on silicon wafers for ex situ scanning electron microscope analysis. The microscope images show that the sizes of the largest aluminum and iron oxide particles heavily depend on the cooling time scales, whereas significant size variation with cooling rate is not observed for uranium oxide particles. In addition, the size distribution of aluminum oxide particles exhibits the broadest range among all three metal oxides studied. We performed simulations of particle size distributions using a kinetic model that couples gas phase oxidation chemistry with particle formation processes, including nucleation, condensation, and coagulation. The model results demonstrate the strong sensitivity of particle size distribution to different cooling histories (i.e., temperature vs residence time) along the flow reactor. In conclusion, the kinetic model also helps identify directions for future research to improve the predictions.
Anthropogenically forced changes in ocean biogeochemistry are underway and critical for the ocean carbon sink and marine habitat. Detecting such changes in ocean biogeochemistry will require quantification of the magnitude of the change (anthropogenic signal) and the natural variability inherent to the climate system (noise). Here we use Large Ensemble (LE) experiments from four Earth system models (ESMs) with multiple emissions scenarios to estimate Time of Emergence (ToE) and partition projection uncertainty for anthropogenic signals in five biogeochemically important upper-ocean variables. We find ToEs are robust across ESMs for sea surface temperature and the invasion of anthropogenic carbon; emergence time scales are 20–30 yr. For the biological carbon pump, and sea surface chlorophyll and salinity, emergence time scales are longer (50+ yr), less robust across the ESMs, and more sensitive to the forcing scenario considered. We find internal variability uncertainty, and model differences in the internal variability uncertainty, can be consequential sources of uncertainty for projecting regional changes in ocean biogeochemistry over the coming decades. In combining structural, scenario, and internal variability uncertainty, this study represents the most comprehensive characterization of biogeochemical emergence time scales and uncertainty to date. Our findings delineate critical spatial and duration requirements for marine observing systems to robustly detect anthropogenic change.
We study the dynamics of helical Kelvin waves moving along a quantum vortex filament driven by a normal fluid flow. We employ the vector form of the quantum local induction approximation (LIA) due to Schwarz. For an isolated filament, this is an adequate approximation to the full Hall-Vinen-Bekarevich-Khalatnikov dynamics. The motion of such Kelvin waves is both translational (along the quantum vortex filament) and rotational (in the plane orthogonal to the reference axis). We first present an exact closed form solution for the motion of these Kelvin waves in the case of a constant amplitude helix. Such solutions exist for a critical wave number and correspond exactly to the Donnelly-Glaberson instability, so perturbations of such solutions either decay to line filaments or blow-up. This leads us to consider helical Kelvin waves which decay to line filaments. Unlike in the case of constant amplitude helical solutions, the dynamics are much more complicated for the decaying helical waves, owing to the fact that the rate of decay of the helical perturbations along the vortex filament is not constant in time. We give an analytical and numerical description of the motion of decaying helical Kelvin waves, from which we are able to ascertain the influence of the physical parameters on the decay, translational motion along the filament, and rotational motion, of these waves (all of which depend nonlinearly on time). One interesting finding is that the helical Kelvin waves do not decay uniformly. Rather, such waves decay slowly for small time scales, and more rapidly for large time scales. The rotational and translational velocity of the Kelvin waves depend strongly on this rate of decay, and we find that the speed of propagation of a helical Kelvin wave along a quantum filament is large for small time while the wave asymptotically slows as it decays. The rotational velocity of such Kelvin waves along the filament will increase over time, asymptotically reaching a finite value. These decaying Kelvin waves correspond to wave number below the critical value for the Donnelly-Glaberson instability, and hence our results on the Schwarz quantum LIA correspond exactly to what one would expect from prior work on the Donnelly-Glaberson instability.
It is understood that in free bosonic theories, the classical field theory accurately describes the full quantum theory when the occupancy numbers of systems are very large. However, the situation is less understood in interacting theories, especially on time scales longer than the dynamical relaxation time. Recently there have been claims that the quantum theory deviates spectacularly from the classical theory on this time scale, even if the occupancy numbers are extremely large. Furthermore, it is claimed that the quantum theory quickly thermalizes while the classical theory does not. The evidence for these claims comes from noticing a spectacular difference in the time evolution of expectation values of quantum operators compared to the classical micro-state evolution. If true, this would have dramatic consequences for many important phenomena, including laboratory studies of interacting BECs, dark matter axions, preheating after inflation, etc. In this work we critically examine these claims. We show that in fact the classical theory can describe the quantum behavior in the high occupancy regime, even when interactions are large. The connection is that the expectation values of quantum operators in a single quantum micro-state are approximated by a corresponding classical ensemble average over many classical micro-states. Furthermore, by the ergodic theorem, a classical ensemble average of local fields with statistical translation invariance is the spatial average of a single micro-state. So the correlation functions of the quantum and classical field theories of a single micro-state approximately agree at high occupancy, even in interacting systems. Furthermore, both quantum and classical field theories can thermalize, when appropriate coarse graining is introduced, with the classical case requiring a cutoff on low occupancy UV modes. We discuss applications of our results.
The spatial and temporal relationships between fluctuations in geopotential height and high-cloud fractional area in low-pass (periods greater than 10 days) and intermediate-pass (10-30 days) time scales are investigated and compared with spatial and temporal relationships in the fast-pass (2.5-6 days) time scale, using NMC 500-hPa height and Nimbus-7 THIR-TOMS high-cloud data for October-March winter months of 1979-1985. It was found that, when moving from the low-pass and intermediate-pass time scales to the fast-pass regime, the temporal variance of the height field decreases, but the temporal variance of the high cloudiness increases. The spatial phase relationships between the height and the cloud fields in the low-pass and the fast-pass regimes were found to be different.
UEDGE simulations with density scans for various input power, transport coefficients and outer poloidal leg length are performed to study the conditions for the existence of a bifurcation-like drop of T e at the outer strike point, commonly referred to as a detachment cliff, when transitioning to a detached plasma from an attached plasma in the outer divertor as the upstream density increases (McLean et al., 2015). The simulation results show that a detachment cliff tends to occur with a higher power input regardless of diffusivities and leg length. Further analysis of change of plasma profiles at a cliff indicate that, in addition to the sharp reduction of the E x B drift fluxes in the outer divertor studied in Jaervinen et al., (2018), the substantial change of the Mach number in the outer divertor and the decrease of the outer mid-plane T e due to the radiation front moving across the separatrix into the confinement region above the X-point consistently occur for all UEDGE density scans that have a detachment cliff. UEDGE time-dependent simulation of the evolution of a detachment cliff shows that the rapid increase of radiation above the X-point occurs in a time scale of ~0.3–0.5, which could possibly be the trigger for the formation of a detachment cliff, quicker than the Mach number change in a time scale of ~1 ms and the drop of T e in a time scale of ~2–3 ms in the outer divertor.
We have conducted an extensive analysis of the observability of Classical Novae with the EUVE Lex/B and Al/Ti/C detectors. Predicted count rates have been computed using optically thin, isothermal plasma models for solar and metal-rich compositions, and hot ONeMg white dwarf model atmospheres. We find EUVE to be quite sensitive to both the EUV and soft X-ray emission emitted by the underlying hot white dwarf during novae outbursts, except for the coolest temperatures with very high intervening hydrogen column density. These results are used to interpret the emission detected during the EUVE all-sky survey of Nova Cygni 1992 (approx. = V1974 Cyg), 279-290 days after visual maximum. We find the best fit to the observed emission from V1974 Cyg arises from a hot ONeMg white dwarf with surface temperature approx. 4 x l0(exp 5) K and a mas of approx. 1.2 solar mass, and derive an interstellar hydrogen column density of approx. 3 x 10(exp 21)/sq cm. Virtually all this emission arises from supersoft X-rays rather than the EUV. We also report the detection of V1974 Cyg with the EUVE Deep Survey detector at 549 days after visual maximum. This observation is compatible with the above properties, indicating that the mechanism responsible for the soft X-ray emission, connected with the underlying white dwarf, had not yet entirely turned off. We also present analysis of a ROSAT PSPC observation which is contemporaneous with the EUVE survey observations; this independently confirms the high column density we derived from the EUVE survey observation. Light curves for the EUVE and ROSAT observations are presented. Statistical tests for variability show that all of these observations are indeed highly variable over various time scales. The EUVE survey data shows one day variations, the EUVE DS data show approx. 30 minute fluctuations, while the ROSAT data vary rapidly on time scales of seconds. The EUVE data shows no periodic variability on any time scale. The implications of the rapid variability are briefly discussed.
One year of near-continuous water vapor radiometer (WVR) measurements at DSS 13 has provided a database for characterizing the Goldstone tropospheric delay properties in a statistical sense. The results have been expressed in terms of the Allan standard deviation of delay and compared to a previous model for Goldstone fluctuations and the specifications of the Cassini Gravitational Wave Experiment (GWE). The new WVR data indicate that average fluctuation levels at hour time scales or less are approximately 30 percent lower than the earlier Goldstone model predictions. At greater than 1 h time scales, the WVR indicated fluctuation levels are in closer agreement with the model, although noise floor limitations may be artificially raising the average WVR-derived atmospheric fluctuation levels at the longer time scales. When scaled to two-way Doppler tracking at 20 deg elevation, as will occur for the GWE, these results indicate that Goldstone winter tropospheric delay fluctuations will typically be a factor of 10 larger than the GWE requirements at 1000 s and a factor of 4 larger at 10,000 s.
An overview of the behavior of the RS CVn binaries is presented. It is argued that chromospherically active stars vary in brightness on a variety of different time scales, each involving very different physics. Some of them are literally periodic, some are quasi-periodic or cyclical, and some can be described only in terms of a time scale. Connections between some of the different periods, cycles, and time scales are explained. Attention is given to orbital period, rotation period, migration, spot lifetimes, magnetic cycles and flares.
Techniques derived from the generalized quantum master equation (GQME) framework have provided the basis for elucidating energy and charge transfer in systems ranging from molecular solids to photosynthetic complexes. Recently, the nonperturbative combination of the GQME with quantum-classical methods has resulted in approaches whose accuracy and efficiency exceed those of the original quantumclassical schemes while offering significant accuracy improvements over perturbative expansions of the GQME. In this work, we show that, while the non-Markovian memory kernel required to propagate the GQME scales quartically with the number of subsystem states, the number of trajectories required scales at most quadratically when using quantum-classical methods to construct the kernel. We then present an algorithm that allows further acceleration of the quantum-classical GQME by offering a way to selectively sample the kernel matrix elements that are most important to the process of interest. We demonstrate the utility of these advances by applying the combination of Ehrenfest mean field theory with the GQME (MF-GQME) to models of the Fenna-Matthews-Olson (FMO) complex and the light harvesting complex II (LHCII), with 7 and 14 states, respectively. This allows us to show that the MF-GQME is able to accurately capture all the relevant dynamical time scales in LHCII: the initial nonequilibrium population transfer on the femtosecond time scale, the steady state-type trapping on the picosecond time scale, and the long time population relaxation. Remarkably, all of these physical effects spanning tens of picoseconds can be encoded in a memory kernel that decays only after ~65 fs.
Several scenarios have been proposed in which the orbits of binary black holes enter the band of a gravitational wave detector with significant eccentricity. To avoid missing these signals or biasing parameter estimation it is important that we consider waveform models that account for eccentricity. The ingredients needed to compute post-Newtonian (PN) waveforms produced by spinning black holes inspiralling on quasi-eccentric orbits have been available for almost two decades at 2 PN order, and this work has recently been extended to 2.5 PN order. However, the computational cost of directly implementing these waveforms is high, requiring many steps per orbit to evolve the system of coupled differential equations. Here we employ the standard techniques of a separation of time scales and a generalized Keplerian parameterization of the orbits to produce efficient waveforms describing spinning black hole binaries with arbitrary masses and spins on quasi-eccentric orbits to 1.5 PN order. We separate the fast orbital time scale from the slow spin-orbit precession time scale by solving for the orbital motion in a noninterial frame of reference that follows the orbital precession. We outline a scheme for extending our approach to higher post-Newtonian order.