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At least 919 records · Page 51

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DOE OSTI2014

Characterization of multielectron dynamics in molecules: A multiconfiguration time-dependent Hartree-Fock picture

Using the framework of multiconfiguration theory, where the wavefunction Φ(t) of a many-electron system at time t is expanded as Φ(t)=∑{sub I}C{sub I}(t)Φ{sub I}(t) in terms of electron configurations (Φ{sub I}(t)), we divided the total electronic energy E(t) as E(t)=∑{sub I}|C{sub I}(t)|{sup 2}E{sub I}(t) . Here E{sub I}(t) is the instantaneous phase changes of C{sub I}(t) regarded as a configurational energy associated with Φ{sub I}(t). We then newly defined two types of time-dependent states: (i) a state at which the rates of population transfer among configurations are all zero; (ii) a state at which (E{sub I}(t)) associated with the quantum phases of C{sub I}(t) are all the same. We call the former time-dependent state a classical stationary state by analogy with the stationary (steady) states of classical reaction rate equations and the latter one a quantum stationary state. The conditions (i) and (ii) are satisfied simultaneously for the conventional stationary state in quantum mechanics. We numerically found for a LiH molecule interacting with a near-infrared (IR) field ε(t) that the condition (i) is satisfied whenever the average velocity of electrons is zero and the condition (ii) is satisfied whenever the average acceleration is zero. We also derived the chemical potentials μ{sub j}(t) for time-dependent natural orbitals ϕ{sub j}(t) of a many-electron system. The analysis of the electron dynamics of LiH indicated that the temporal change in Δμ{sub j}(t) ≡ μ{sub j}(t) + ε(t) · d{sub j}(t) − μ{sub j}(0) correlates with the motion of the dipole moment of ϕ{sub j}(t), d{sub j}(t). The values Δμ{sub j}(t) are much larger than the energy ζ{sub j}(t) directly supplied to ϕ{sub j}(t) by the field, suggesting that valence electrons exchange energy with inner shell electrons. For H{sub 2} in an intense near-IR field, the ionization efficiency of ϕ{sub j}(t) is correlated with Δμ{sub j}(t). Comparing Δμ{sub j}(t) to ζ{sub j}(t), we found that energy accepting orbitals of Δμ{sub j}(t) > ζ{sub j}(t) indicate high ionization efficiency. The difference between Δμ{sub j}(t) and ζ{sub j}(t) is significantly affected by electron-electron interactions in real time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Internal transport barrier triggered by non-linear lower hybrid wave deposition under condition of beam-driven toroidal rotation

By using gyro-Landau fluid transport model (GLF23), time-dependent integrated modeling is carried out using TRANSP to explore the dynamic process of internal transport barrier (ITB) formation in the neutral beam heating discharges. When the current profile is controlled by LHCD (lower hybrid current drive), with appropriate neutral beam injection, the nonlinear interplay between the transport determined gradients in the plasma temperature (T{sub i,e}) and toroidal velocity (V{sub ϕ}) and the E×B flow shear (including q-profile) produces transport bifurcations, generating spontaneously a stepwise growing ITB. In the discharge, the constraints imposed by the wave propagation condition causes interplay of the LH driven current distribution with the plasma configuration modification, which constitutes non-linearity in the LH wave deposition. The non-linear effects cause bifurcation in LHCD, generating two distinct quasi-stationary reversed magnetic shear configurations. The change of current profile during the transition period between the two quasi-stationary states results in increase of the E×B shearing flow arising from toroidal rotation. The turbulence transport suppression by sheared E×B flow during the ITB development is analysed, and the temporal evolution of some parameters characterized the plasma confinement is examined. Ample evidence shows that onset of the ITB development is correlated with the enhancement of E×B shearing rate caused by the bifurcation in LHCD. It is suggested that the ITB triggering is associated with the non-linear effects of the LH power deposition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Intrinsic spatial chirp of subcycle terahertz pulsed beams

Here, we present an analysis of spatial chirp in subcycle pulsed beams corroborated by spatiotemporal electro-optic sampling measurements of terahertz radiation. Modeling the subcycle pulsed beam as a superposition of monochromatic Gaussian beams, free-space propagation is shown to directly lead to lateral spatial chirp with the spectrum on-axis substantially bluer than the overall energy spectrum. The two-transverse + one-temporal dimensional profile of terahertz subcycle pulsed beams from organic crystals DSTMS and OH1 are measured and compared with observed spatiospectral correlations consistent with the model.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

Assessing carbon storage capacity and saturation across six central US grasslands using data–model integration

Abstract. Future global changes will impact carbon (C) fluxes and pools in most terrestrial ecosystems and the feedback of terrestrial carbon cycling to atmospheric CO2. Determining the vulnerability of C in ecosystems to future environmental change is thus vital for targeted land management and policy. The C capacity of an ecosystem is a function of its C inputs (e.g., net primary productivity – NPP) and how long C remains in the system before being respired back to the atmosphere. The proportion of C capacity currently stored by an ecosystem (i.e., its C saturation) provides information about the potential for long-term C pools to be altered by environmental and land management regimes. We estimated C capacity, C saturation, NPP, and ecosystem C residence time in six US grasslands spanning temperature and precipitation gradients by integrating high temporal resolution C pool and flux data with a process-based C model. As expected, NPP across grasslands was strongly correlated with mean annual precipitation (MAP), yet C residence time was not related to MAP or mean annual temperature (MAT). We link soil temperature, soil moisture, and inherent C turnover rates (potentially due to microbial function and tissue quality) as determinants of carbon residence time. Overall, we found that intermediates between extremes in moisture and temperature had low C saturation, indicating that C in these grasslands may trend upwards and be buffered against global change impacts. Hot and dry grasslands had greatest C saturation due to both small C inputs through NPP and high C turnover rates during soil moisture conditions favorable for microbial activity. Additionally, leaching of soil C during monsoon events may lead to C loss. C saturation was also high in tallgrass prairie due to frequent fire that reduced inputs of aboveground plant material. Accordingly, we suggest that both hot, dry ecosystems and those frequently disturbed should be subject to careful land management and policy decisions to prevent losses of C stored in these systems.

58 GEOSCIENCES↗

DOE OSTI2025

Ambient field seismology in critical zone hydrological sciences

Passive ambient noise monitoring is an emerging tool in environmental seismology, leveraging the ambient seismic field to assess temporal variations in shallow subsurface properties. This review focuses on the potential and challenges of using scattered coda waves from noise correlation functions to monitor critical zone dynamics. The sensitivity of seismic velocities to various environmental factors, including precipitation, snowmelt, atmospheric pressure, and groundwater fluctuations, underscores the method’s versatility. While coda waves excel in detecting subtle changes due to their scattered nature, ballistic waves provide higher spatial resolution, albeit with challenges in source stability. Advances in seismic sensing, including distributed acoustic sensing and low-cost geophone networks, have enabled high-resolution monitoring of hydrological processes, subsurface deformation, and seismic hazards. Integrating seismic data with hydrological models provides insights into water storage, pore pressure changes, and soil moisture dynamics. However, limitations in spatial resolution, calibration with ground truth data, and coupled effects between environmental factors remain key challenges. This review emphasizes the importance of interdisciplinary approaches in refining methodologies, enhancing sensor deployments, and addressing data gaps. Passive seismic monitoring offers opportunities to understand critical zone processes and their broader impacts on seismic hazards and environmental sustainability.

58 GEOSCIENCES↗

NASA NTRS1990

Sparse distributed memory overview

The Sparse Distributed Memory (SDM) project is investigating the theory and applications of massively parallel computing architecture, called sparse distributed memory, that will support the storage and retrieval of sensory and motor patterns characteristic of autonomous systems. The immediate objectives of the project are centered in studies of the memory itself and in the use of the memory to solve problems in speech, vision, and robotics. Investigation of methods for encoding sensory data is an important part of the research. Examples of NASA missions that may benefit from this work are Space Station, planetary rovers, and solar exploration. Sparse distributed memory offers promising technology for systems that must learn through experience and be capable of adapting to new circumstances, and for operating any large complex system requiring automatic monitoring and control. Sparse distributed memory is a massively parallel architecture motivated by efforts to understand how the human brain works. Sparse distributed memory is an associative memory, able to retrieve information from cues that only partially match patterns stored in the memory. It is able to store long temporal sequences derived from the behavior of a complex system, such as progressive records of the system's sensory data and correlated records of the system's motor controls.

Raugh, Mike↗

NASA NTRS1990

Sources of variability in satellite-derived estimates of phytoplankton production in the eastern tropical Pacific

As a proxy for satellite CZCS observations and concurrent measurements of primary production rates, data from 138 stations occupied seasonally during 1967-1968 in the offshore eastern tropical Pacific were analyzed in terms of six temporal groups and our current regimes. Multiple linear regressions on column production Pt show that simulated satellite pigment is generally weakly correlated, but sometimes not correlated with Pt, and that incident irradiance, sea surface temperature, nitrate, transparency, and depths of mixed layer or nitracline assume little or no importance. After a proxy for the light-saturated chlorophyll-specific photosynthetic rate P(max) is added, the coefficient of determination ranges from 0.55 to 0.91 (median of 0.85) for the 10 cases. In stepwise multiple linear regressions the P(max) proxy is the best predictor for Pt.

Banse, Karl↗

NASA NTRS1989

Studies of ice sheet hydrology using SAR

Analysis of SAR data of the Greenland ice sheet in summer and winter suggest the use of SAR to monitor the temporal hydrology of ice sheets. Comparisons of each SAR data set with summer Landsat TM imagery show an areal-positive correlation with summer SAR data and a negative correlation with winter SAR data. It is proposed that the summer SAR data are most sensitive to the variable concentrations of free water in the surface snow and that the winter SAR data indicate variations in snow grain size.

Bindschadler, R. A.↗

NASA NTRS1984

Hybrid integrated optic modules for real-time signal processing

The most recent progress on four relatively new hybrid integrated optic device modules in LiNbO3 waveguides and one in YIG/GGG waveguide that are currently being studied are discussed. The five hybrid modules include a time-integrating acoustooptic correlator, a channel waveguide acoustooptic frequency shifter/modulator, an electrooptic channel waveguide total internal reflection moculator/switch, an electrooptic analog-to-digital converter using a Fabry-Perot modulator array, and a noncollinear magnetooptic modulator using magnetostatic surface waves. All of these devices possess the desirable characteristics of very large bandwidth (GHz or higher), very small substrate size along the optical path (typically 1.5 cm or less), single-mode optical propagation, and low drive power requirement. The devices utilize either acoustooptic, electrooptic or magnetooptic effects in planar or channel waveguides and, therefore, act as efficient interface devices between a light wave and temporal signals. Major areas of application lie in wideband multichannel optical real-time signal processing and communications. Some of the specific applications include spectral analysis and correlation of radio frequency (RF) signals, fiber-optic sensing, optical computing and multiport switching/routing, and analog-to-digital conversion of wide RF signals.

Tsai, C. S.↗

NASA NTRS2007

The ENSO Effect on the Temporal and Spatial Distribution of Global Lightning Activity

The recently reprocessed (1997-2006) OTD/LIS database is used to investigate the global lightning climatology in response to the ENSO cycle. A linear correlation map between lightning anomalies and ENSO (NINO3.4) identifies areas that generally follow patterns similar to precipitation anomalies. We also observed areas where significant lightning/ENSO correlations are found and are not accompanied of significant precipitation/ENSO correlations. An extreme case of the strong decoupling between lightning and precipitation is observed over the Indonesian peninsula (Sumatra) where positive lightning/NINO3.4 correlations are collocated with negative precipitation/NINO3.4 correlations. Evidence of linear relationships between the spatial extent of thunderstorm distribution and the respective NINO3.4 magnitude are presented for different regions on the Earth. Strong coupling is found over areas remote to the main ENSO axis of influence and both during warm and cold ENSO phases. Most of the resulted relationships agree with the tendencies of precipitation related to ENSO empirical maps or documented teleconnection patterns. Over the Australian continent, opposite behavior in terms of thunderstorm activity is noted for warm ENSO phases with NINO3.4 magnitudes with NINO3.4>+l.08 and 0<NqNO3.4<I.08. Finally, we investigate the spatial distribution of areas that consistently portrayed enhanced lightning activity during the main warm/cold (El Nino/La Nina) ENSO episodes of the past decade. The observed patterns show no spatial overlapping and identify areas that in their majority are in agreement with empirical precipitation/ENSO maps. The areas that appear during the warm ENSO phase are found over regions that have been identified as anomalous Hadley circulation ENSO-related patterns. The areas that appear during the cold ENSO phase are found predominantly around the west hemisphere equatorial belt and are in their majority identified by anomalous Walker circulation.

Chronis, Themis G.↗

DOE OSTI2019

Regional and correlative sweat analysis using high-throughput microfluidic sensing patches toward decoding sweat

Recent technological advancements in wearable sensors have made it easier to detect sweat components, but our limited understanding of sweat restricts its application. A critical bottleneck for temporal and regional sweat analysis is achieving uniform, high-throughput fabrication of sweat sensor components, including microfluidic chip and sensing electrodes. To overcome this challenge, we introduce microfluidic sensing patches mass fabricated via roll-to-roll (R2R) processes. The patch allows sweat capture within a spiral microfluidic for real-time measurement of sweat parameters including [Na + ], [K + ], [glucose], and sweat rate in exercise and chemically induced sweat. The patch is demonstrated for investigating regional sweat composition, predicting whole-body fluid/electrolyte loss during exercise, uncovering relationships between sweat metrics, and tracking glucose dynamics to explore sweat-to-blood correlations in healthy and diabetic individuals. By enabling a comprehensive sweat analysis, the presented device is a crucial tool for advancing sweat testing beyond the research stage for point-of-care medical and athletic applications.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

TransformerG2G: Adaptive time-stepping for learning temporal graph embeddings using transformers

Dynamic graph embedding has emerged as a very effective technique for addressing diverse temporal graph analytic tasks (i.e., link prediction, node classification, recommender systems, anomaly detection, and graph generation) in various applications. Such temporal graphs exhibit heterogeneous transient dynamics, varying time intervals, and highly evolving node features throughout their evolution. Hence, incorporating long-range dependencies from the historical graph context plays a crucial role in accurately learning their temporal dynamics. In this paper, we develop a graph embedding model with uncertainty quantification, TransformerG2G, by exploiting the advanced transformer encoder to first learn intermediate node representations from its current state (t) and previous context (over timestamps [t–1,t–l], l is the length of context). Moreover, we employ two projection layers to generate lower-dimensional multivariate Gaussian distributions as each node's latent embedding at timestamp t. We consider diverse benchmarks with varying levels of "novelty" as measured by the TEA (Temporal Edge Appearance) plots. Here, our experiments demonstrate that the proposed TransformerG2G model outperforms conventional multi-step methods and our prior work (DynG2G) in terms of both link prediction accuracy and computational efficiency, especially for high degree of novelty. Furthermore, the learned time-dependent attention weights across multiple graph snapshots reveal the development of an automatic adaptive time stepping enabled by the transformer. Importantly, by examining the attention weights, we can uncover temporal dependencies, identify influential elements, and gain insights into the complex interactions within the graph structure. For example, we identified a strong correlation between attention weights and node degree at the various stages of the graph topology evolution.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

The joint space-time statistics of macroweather precipitation, space-time statistical factorization and macroweather models

Over the range of time scales from about 10 days to 30–100 years, in addition to the familiar weather and climate regimes, there is an intermediate “macroweather” regime characterized by negative temporal fluctuation exponents: implying that fluctuations tend to cancel each other out so that averages tend to converge. We show theoretically and numerically that macroweather precipitation can be modeled by a stochastic weather-climate model (the Climate Extended Fractionally Integrated Flux, model, CEFIF) first proposed for macroweather temperatures and we show numerically that a four parameter space-time CEFIF model can approximately reproduce eight or so empirical space-time exponents. In spite of this success, CEFIF is theoretically and numerically difficult to manage. We therefore propose a simplified stochastic model in which the temporal behavior is modeled as a fractional Gaussian noise but the spatial behaviour as a multifractal (climate) cascade: a spatial extension of the recently introduced ScaLIng Macroweather Model, SLIMM. Both the CEFIF and this spatial SLIMM model have a property often implicitly assumed by climatologists that climate statistics can be “homogenized” by normalizing them with the standard deviation of the anomalies. Physically, it means that the spatial macroweather variability corresponds to different climate zones that multiplicatively modulate the local, temporal statistics. This simplified macroweather model provides a framework for macroweather forecasting that exploits the system's long range memory and spatial correlations; for it, the forecasting problem has been solved. We test this factorization property and the model with the help of three centennial, global scale precipitation products that we analyze jointly in space and in time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Role of short- and long-range ordering on diffusion in Ni-Al alloys

The varying degrees of short- and long-range order exhibited by multicomponent solids complicates a first-principles calculation of nondilute diffusion coefficients. Temporal and spatial variations in the local degree of order affect the migration barriers of individual hops and can result in strong correlations between successive hops that ultimately affect macroscopic transport coefficients. Here we report on a first-principles study of diffusion in Ni-rich Ni-Al alloys. We used cluster expansion Hamiltonians to describe the energies of the end states and migration barriers of each hop. Kinetic Monte Carlo simulations were performed to calculate macroscopic transport coefficients. Variations in the degree of ordering are shown to play a significant role in affecting diffusion coefficients. While Al has a higher mobility than Ni in the disordered Ni-rich fcc solid solution, it becomes significantly less mobile in the ordered L1 2 γ' phase due to strong thermodynamic tendencies that keep Al trapped to disconnected sublattice sites.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Secondary fast magnetoacoustic waves trapped in randomly structured plasmas

Fast magnetoacoustic waves are an important tool for inferring parameters of the solar atmosphere. We numerically simulate the propagation of fast wave pulses in randomly structured plasmas that mimic the highly inhomogeneous solar corona. A network of secondary waves is formed by a series of partial reflections and transmissions. These secondary waves exhibit quasi-periodicities in both time and space. Since the temporal and spatial periods are related simply through the speed of the fast wave, we quantify the properties of secondary waves by examining the dependence of the average temporal period ( p-bar ) on the initial pulse width (w {sub 0}) and studying the density contrast (δ{sub ρ}) and correlation length (L {sub c}) that characterize the randomness of the equilibrium density profiles. For small-amplitude pulses, δ{sub ρ} does not alter p-bar significantly. Large-amplitude pulses, on the other hand, enhance the density contrast when δ{sub ρ} is small but have a smoothing effect when δ{sub ρ} is sufficiently large. We found that p-bar scales linearly with L {sub c} and that the scaling factor is larger for a narrower pulse. However, in terms of the absolute values of p-bar , broader pulses generate secondary waves with longer periods, and this effect is stronger in random plasmas with shorter correlation lengths. Secondary waves carry the signatures of both the leading wave pulse and the background plasma. Our study may find applications in magnetohydrodynamic seismology by exploiting the secondary waves detected in the dimming regions after coronal mass ejections or extreme ultraviolet waves.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1973

Retrieval of dispersive and convective transport phenomena in fluids using stationary and nonstationary time domain analysis

Simultaneously occuring dispersive and convective components of fluid kinematics are obtained by a time domain analysis of optically retrieved temporal histories of the transport phenomena. Utilizing triangulation of collimated optical fields of view from two radiometers to obtain the temporal histories of the intensity fluctuations associated with the transport phenomena has enabled investigators to retrieve the local convective transport by employing correlation statistics. The location of the peak in the covariance curve determines the transit time from which the convection velocity is calculated; whereas, the change in shape of the peak in the covariance curve determines the change in average frequency of the wave packet from which the dispersion velocity is calculated. Thus, two-component analysis requires the maximum possible enhancement of the delineation for the transport. The convection velocity is the result of a fixed reference frame calculation whereas, the dispersion velocity is the result of a moving reference frame calcuation.

Stephens, J. B.↗

NASA NTRS1984

Internal waves in the Gulf of California - Observations from a spaceborne radar

Pronounced signatures of internal waves were detected repeatedly in the Gulf of California by the Seasat synthetic aperture radar (SAR). A series of nine images with exactly repeating ground coverage was used to study the temporal variability of the internal wave field in the area. It was found that the number of observed wave groups was highly correlated with the strength of the local tides: the maximum number occurred during spring tides and the minimum number occurred during neap tides, indicating that the internal waves were tidally forced. Most of the wave activity was found to the north of 28 deg N where the tides were the strongest in the Gulf. The application of a simple, nonlinear internal wave model to the observations indicated that the peak-to-peak amplitude of the observed waves was about 50 m with an uncertainty of a factor of 2. The estimated upper bound for the rate of the loss of tidal energy to internal waves was about 5 x 10 to the 15th erg/s, representing only 10 percent of the rate of the dissipation of the dominant M2 tide in the Gulf.

Fu, L.-L.↗

NASA NTRS1991

Laboratory evaluation and application of microwave absorption properties under simulated conditions for planetary atmospheres

Laboratory measurements of microwave and millimeter wave properties of the simulated atmosphere of the outer planets and their satellites has continued. One of the focuses is on the development of a radiative transfer model of the Jovian atmosphere at wavelengths from 1 mm to 10 cm. This modeling effort led to laboratory measurements of the millimeter wave opacity of hydrogen sulfide (H2S) under simulated Jovian conditions. Descriptions of the modeling effort, the Laboratory experiment, and the observations are presented. Correlative studies of measurements with Pioneer-Venus radio occultation measurements with longer wavelength emission measurements have provided new ways for characterizing temporal and spatial variations in the abundance of both gases H2SO4 and SO2, and for modeling their roles in the subcloud atmosphere. Laboratory measurements were conducted on 1.35 cm (and 13 cm) opacity of gaseous SO2 and absorptivity of gaseous SO2 at the 3.2 mm wavelength under simulated Venus conditions. Laboratory measurements were completed on millimeter wave dielectric properties of liquid H2SO4, in order to model the effects of the opacity of the clouds of Venus onto millimeter wave emission spectrum.

Steffes, Paul G.↗