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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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At least 379 records · Page 21

DNA molecules deviate from shortest trajectory when driven through hydrogel

Dynamic fluorescence-based single-molecule imaging of $λ$-DNA molecules driven through agarose hydrogels by DC electric fields reveals that passage through the hydrogel (98.5% water content) induces mobility orthogonal to the external field. Tortuous paths followed by the DNA molecules, which are heavily entangled in the hydrogel mesh as their contour length is nearly 100 times the hydrogel mesh size of 200 nm, cause them to appear to diffuse orthogonal to the driving force. The higher the driving field, from 2 to 16 V/cm, the higher the off-axis dispersion is, over the same time interval. In this work we measure the off-axis displacement distribution over 3 orders of magnitude of probability density and find a master curve after normalizing for time (t) elapsed, but the power of time for normalizing increases with the external field, from t 0.25 to t 0.6 with increasing field. Comparing trajectories over the same distance traveled in the electric field direction, we observe whereas for the highest field strengths DNA molecules come closest to taking the shortest trajectory between two points in space, deviations from the shortest trajectory grow larger and larger (up to 40% larger) as one approaches the case of small yet finite external field strength.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Model reduction methods for nuclear emulators

The field of model order reduction (MOR) is growing in importance due to its ability to extract the key insights from complex simulations while discarding computationally burdensome and superfluous information. We provide an overview of MOR methods for the creation of fast & accurate emulators of memory- and compute-intensive nuclear systems, focusing on eigen-emulators and variational emulators. As an example, we describe how 'eigenvector continuation' is a special case of a much more general and well-studied MOR formalism for parameterized systems. We continue with an introduction to the Ritz and Galerkin projection methods that underpin many such emulators, while pointing to the relevant MOR theory and its successful applications along the way. Here, we believe that this guide will open the door to broader applications in nuclear physics and facilitate communication with practitioners in other fields.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Method of resource-limited device and device class identification using system and function call tracing techniques, performance, and statistical analysis

Methods for cyber physical systems device classification are provided. A method can include receiving system and function calls and parameters and a device performance index from an unknown CPS device and a device performance index of similar class of CPS devices, calculating an autocorrelation value between different realizations of the system and function calls and parameters of the known CPS device, determining whether the autocorrelation value is greater than a threshold amount, and storing the system and function calls and parameters and the device performance characteristics of the known CPS device in the database. A method can also include calculating a correlation between system and function calls and parameters of an unknown CPS device and known CPS devices classes included in the database, as well as determining whether the maximum correlation is also greater than a threshold amount.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Grid-based minimization at scale: Feldman-Cousins corrections for light sterile neutrino search

High Energy Physics (HEP) experiments generally employ sophisticated statistical methods to present results in searches of new physics. In the problem of searching for sterile neutrinos, likelihood ratio tests are applied to short-baseline neutrino oscillation experiments to construct confidence intervals for the parameters of interest. The test statistics of the form Δχ2 is often used to form the confidence intervals, however, this approach can lead to statistical inaccuracies due to the small signal rate in the region-of-interest. In this paper, we present a computational model for the computationally expensive Feldman-Cousins corrections to construct a statistically accurate confidence interval for neutrino oscillation analysis. The program performs a grid-based minimization over oscillation parameters and is written in C++. Our algorithms make use of vectorization through Eigen3, yielding a single-core speed-up of 350 compared to the original implementation, and achieve MPI data parallelism by employing DIY. We demonstrate the strong scaling of the application at High-Performance Computing (HPC) sites. We utilize HDF5 along with HighFive to write the results of the calculation to file.

Wospakrik, Marianette↗

A hybrid point-particle force model that combines physical and data-driven approaches

Here this study improves upon the physics-based pairwise interaction extended point-particle (PIEP) model. The PIEP model leverages our physical understanding to predict fluid mediated interactions between solid particles. By considering the relative location of neighboring particles, the PIEP model is able to provide better predictions than existing drag models. While the current physical PIEP model is a powerful tool, its assumptions lead to increased error in flows with higher particle volume fractions. To reduce this error, a regression algorithm makes direct use of the results of direct numerical simulations (DNS) of an array of monodisperse solid particles subjected to uniform ambient flow at varying Reynolds numbers. The resulting statistical model and the physical PIEP model are superimposed to construct a hybrid, physics-based data-driven PIEP model. It must be noted that the performance of a pure data-driven approach without the model-form provided by the physical PIEP model is substantially inferior. The hybrid model's predictive capabilities are analyzed using additional DNS data that was not part of training the data-driven model. In every case tested, the hybrid models resulting from the regression were capable of (1) improving upon the physical PIEP model's prediction and (2) recovering underlying relevant physics from the DNS data. As the particle volume fraction increases, the physical PIEP model loses the ability to approximate the forces experienced by the particles, but the statistical model continues to produce accurate approximations.

97 MATHEMATICS AND COMPUTING↗

Acceleration of Magnetospheric Relativistic Electrons by Ultra-Low Frequency Waves: A Comparison between Two Cases Observed by Cluster and LANL Satellites

Understanding the origin and acceleration of magnetospheric relativistic electrons (MREs) in the Earth's radiation belt during geomagnetic storms is an important subject and yet one of outstanding questions in space physics. It has been statistically suggested that during geomagnetic storms, ultra-low-frequency (ULF) Pc-5 wave activities in the magnetosphere are correlated with order of magnitude increase of MRE fluxes in the outer radiation belt. Yet, physical and observational understandings of resonant interactions between ULF waves and MREs remain minimum. In this paper, we show two events during storms on September 25, 2001 and November 25, 2001, the solar wind speeds in both cases were > 500 km/s while Cluster observations indicate presence of strong ULF waves in the magnetosphere at noon and dusk, respectively, during a approx. 3-hour period. MRE observations by the Los Alamos (LANL) spacecraft show a quadrupling of 1.1-1.5 MeV electron fluxes in the September 25, 2001 event, but only a negligible increase in the November 2.5, 2001 event. We present a detailed comparison between these two events. Our results suggest that the effectiveness of MRE acceleration during the September 25, 2001 event can be attributed to the compressional wave mode with strong ULF wave activities and the physical origin of MRE acceleration depends more on the distribution of toroidal and poloidal ULF waves in the outer radiation belt.

Shao, X.↗

Properties of giant dipole resonances within an extended pairing model with a focus on spectral statistics

In this paper, we report on a study of the spectral features associated with dipole resonances in medium mass nuclei (E ≤ 12 MeV), as revealed in the framework of the spd-interacting boson model. The effect of pairing correlations on the theory follows from solutions obtained through an application of the Bethe Ansatz Equation. In general, calculated spectra around the critical point of the vibrational to γ-soft transitions appears to approach that of a Gaussian Orthogonal Ensemble, while near the rotational and vibrational limits of the theory the spectra show more regular behavior. Specifically, the results reveal that the statistical features of the spectra are sensitive to the vector boson pairing strength, c p , in the transition region; that is, when c p is zero, or when the system approaches one of its dynamical symmetries limits the spectrum display regular features, while for stronger c p values, or when near to the critical phase transition region, the spectral feature show more chaotic behavior. Overall, our results indicate that the statistical features are governed by the interplay between dipole resonant energies, pairing correlations, and interactions between and among the single and vector bosons modes of the theory. As part of this work we also found out that chaoticity occurs when results were fit to a Berry-Robnik distribution. Throughout our analyses, we used experimentally known information about both positive and negative parity states. Our findings suggest that dipole resonances appear to be best-described by Poisson statistics for A ≈ 32-138 nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Evaluating Equivalent Monte Carlo Calculations

We address several basic issues, primarily whether two sets of MCNP tallies are stochastically equivalent (i.e., that the sets of particle history scores follow the same statistical distribution) and, if di erent, quantify the signi cance level of the di erence. The underlying topics here are of longstanding interest to the statistical community, and no \new" theoretical work needs to be carried out to address them. Related comparisons are useful to code developers in assessing code modi cations and to code users in assessing other simulations and related physical measurements. However, these statistical methods must be applied with care to avoid obtaining misleading results, as we show in several examples. The text is written for MCNP practitioners.

97 MATHEMATICS AND COMPUTING↗

Regression Analysis of Long-term Profile Ozone Data Set from BUV Instruments

We have produced a profile merged ozone data set (MOD) based on the SBUV/SBUV2 series of nadir-viewing satellite backscatter instruments, covering the period from November 1978 - December 2003. In 2004, data from the Nimbus 7 SBUV and NOAA 9,11, and 16 SBUV/2 instruments were reprocessed using the Version 8 (V8) algorithm and most recent calibrations. More recently, data from the Nimbus 4 BUV instrument, which operated from 1970 - 1977, were also reprocessed using the V8 algorithm. As part of the V8 profile calibration, the Nimbus 7 and NOAA 9 (1993-1997 only) instrument calibrations have been adjusted to match the NOAA 11 calibration, which was established from comparisons with SSBUV shuttle flight data. Given the level of agreement between the data sets, we simply average the ozone values during periods of instrument overlap to produce the MOD profile data set. We use statistical time-series analysis of the MOD profile data set (1978-2003) to estimate the change in profile ozone due to changing stratospheric chlorine levels. The Nimbus 4 BUV data offer an opportunity to test the physical properties of our statistical model. We extrapolate our statistical model fit backwards in time and compare to the Nimbus 4 data. We compare the statistics of the residuals from the fit for the Nimbus 4 period to those obtained from the 1978-2003 period over which the statistical model coefficients were estimated.

Frith, Stacey↗

Phase Diagram of a Deep Potential Water Model

Using the Deep Potential methodology, we construct a model that reproduces accurately the potential energy surface of the SCAN approximation of density functional theory for water, from low temperature and pressure to about 2400 K and 50 GPa, excluding the vapor stability region. The computational efficiency of the model makes it possible to predict its phase diagram using molecular dynamics. Satisfactory overall agreement with experimental results is obtained. Here, the fluid phases, molecular and ionic, and all the stable ice polymorphs, ordered and disordered, are predicted correctly, with the exception of ice III and XV that are stable in experiments, but metastable in the model. The evolution of the atomic dynamics upon heating, as ice VII transforms first into ice VII" and then into an ionic fluid, reveals that molecular dissociation and breaking of the ice rules coexist with strong covalent fluctuations, explaining why only partial ionization was inferred in experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Understanding relative metal prices and availability: Combining physical and economic perspectives

Abstract Scientists typically use physical indicators, such as average crustal abundance, and energy requirements in production, as measures of the availability of mineral resources. Economists, on the other hand, typically rely on measures such as prices, and extraction costs. This study investigates the role of crustal abundance, energy requirements, and other physical indicators in determining relative metal prices. The relationship between prices, and physical indicators is estimated statistically for a sample of 22 chemical elements over the period 1970–2013 using an economic market model. The results suggest that energy requirements in production explain 43% of observed variation in metal prices, crustal abundance 21%, and other physical indicators (toxicity, native metal status, and melting point) combine to explain 12% of the observed differences in metal prices.

Watson, Brett J.↗

Estimation of trends

The application of statistical methods to recorded ozone measurements. The effects of a long term depletion of ozone at magnitudes predicted by the NAS is harmful to most forms of life. Empirical prewhitening filters the derivation of which is independent of the underlying physical mechanisms were analyzed. Statistical analysis performs a checks and balances effort. Time series filters variations into systematic and random parts, errors are uncorrelated, and significant phase lag dependencies are identified. The use of time series modeling to enhance the capability of detecting trends is discussed.

Source record↗

Mind the Gap: Exploring the Underground of the NASA Space Cancer Risk Model

The REID quantifies the lifetime risk of death from radiation-induced cancer in an exposed astronaut. The NASA Space Cancer Risk (NSCR) 2012 mode incorporates elements from physics, biology, epidemiology, and statistics to generate the REID distribution. The current model quantifies the space radiation environment, radiation quality, and dose-rate effects to estimate a NASA-weighted dose. This weighted dose is mapped to the excess risk of radiation-induced cancer mortality from acute exposures to gamma rays and then transferred to an astronaut population. Finally, the REID is determined by integrating this risk over the individual's lifetime. The calculated upper 95% confidence limit of the REID is used to restrict an astronaut's permissible mission duration (PMD) for a proposed mission. As a statistical quantity characterized by broad, subjective uncertainties, REID estimates for space missions result in wide distributions. Currently, the upper 95% confidence level is over 350% larger than the mean REID value, which can severely limit an astronaut's PMD. The model incorporates inputs from multiple scientific disciplines in the risk estimation process. Physics and particle transport models calculate how radiation moves through space, penetrates spacecraft, and makes its way to the human beings onboard. Epidemiological studies of exposures from atomic bombings, medical treatments, and power plants are used to quantify health risks from acute and chronic low linear energy transfer (LET) ionizing radiation. Biological studies in cellular and animal models using radiation at various LETs and energies inform quality metrics for ions present in space radiation. Statistical methodologies unite these elements, controlling for mathematical and scientific uncertainty and variability. Despite current progress, these research platforms contain knowledge gaps contributing to the large uncertainties still present in the model. The NASA Space Radiation Program Element (SRPE) defines the knowledge gaps that impact our understanding of the cancer risks. These gaps are outlined in NASA's Human Research Roadmap [4], which identifies the research questions and actions recommended for reducing the uncertainty in the current NSCR model and for formulation of future models. The greatest contributors to uncertainty in the current model include radiation quality, dose rate effects, and the transfer of exposure-based risk from other populations to an astronaut population. Future formulations of the risk model may benefit from including other potential sources of uncertainty such as space dosimetry, errors in human epidemiology data, and the impact of microgravity and other spaceflight stressors. Here, we discuss the current capabilities of the NSCR-2012 model and several immediate research needs, highlighting areas expected to have an operational impact on the current model schema. The following subway-style route map outlines the NSCR-2012 model (Green Line), emphasizing the research gaps in the Human Research Roadmap for risk of radiation-induced carcinogenesis (Stops on Dashed Lines). The map diagrams how these research gaps feed specific portions of the model.

Chappell, L. J.↗

Supernova Driving. IV. The Star-formation Rate of Molecular Clouds

We compute the star-formation rate (SFR) in molecular clouds (MCs) that originate ab initio in a new, higher-resolution simulation of supernova-driven turbulence. Because of the large number of well-resolved clouds with self-consistent boundary and initial conditions, we obtain a large range of cloud physical parameters with realistic statistical distributions, which is an unprecedented sample of star-forming regions to test SFR models and to interpret observational surveys. We confirm the dependence of the SFR per free-fall time, SFR{sub ff}, on the virial parameter, α {sub vir}, found in previous simulations, and compare a revised version of our turbulent fragmentation model with the numerical results. The dependences on Mach number, M, gas to magnetic pressure ratio, β, and compressive to solenoidal power ratio, χ at fixed α {sub vir} are not well constrained, because of random scatter due to time and cloud-to-cloud variations in SFR{sub ff}. We find that SFR{sub ff} in MCs can take any value in the range of 0 ≤ SFR{sub ff} ≲ 0.2, and its probability distribution peaks at a value of SFR{sub ff} ≈ 0.025, consistent with observations. The values of SFR{sub ff} and the scatter in the SFR{sub ff}–α {sub vir} relation are consistent with recent measurements in nearby MCs and in clouds near the Galactic center. Although not explicitly modeled by the theory, the scatter is consistent with the physical assumptions of our revised model and may also result in part from a lack of statistical equilibrium of the turbulence, due to the transient nature of MCs.

79 ASTRONOMY AND ASTROPHYSICS↗

Lidar Studies of Clouds at Toronto During the ECLIPS Program

The Experimental Cloud Lidar Pilot Study (ECLIPS) measurement program involves the measurement of cloud optical and physical parameters with vertically pointing ground-based lidars simultaneously with satellites observing the same cloud system from above. Our frequency doubled Nd:YAG lidar transmits about 500 mJ of linearly polarized radiation at each wavelength (532, 1064 nm) with a prf of 20 Hz. An overview of the statistical behavior of cloud physical parameters and optical parameters is presented.

Pal, S. R.↗

A primer on resurgent transseries and their asymptotics

The computation of observables in general interacting theories, be them quantum mechanical, field, gauge or string theories, is a non-trivial problem which in many cases can only be addressed by resorting to perturbative methods. In most physically interesting problems these perturbative expansions result in asymptotic series with zero radius of convergence. These asymptotic series then require the use of resurgence and transseries in order for the associated observables to become nonperturbatively well-defined. Resurgence encodes the complete large-order asymptotic behaviour of the coefficients from a perturbative expansion, generically in terms of (multi) instanton sectors and for each problem in terms of its Stokes constants. Some observables arise from linear problems, and have a finite number of instanton sectors and associated Stokes constants; some other observables arise from nonlinear problems, and have an infinite number of instanton sectors and Stokes constants. By means of two very explicit examples, and with emphasis on a pedagogical style of presentation, here this work aims at serving as a primer on the aforementioned resurgent, large-order asymptotics of general perturbative expansions. This includes discussions of transseries, Stokes phenomena, generalized steepest-descent methods, Borel transforms, nonlinear resonance, and alien calculus. Furthermore, resurgent properties of transseries – usually described mathematically via alien calculus – are recast in equivalent physical languages: either a “statistical mechanical” language, as motions in chains and lattices; or a “conformal field theoretical” language, with underlying Virasoro-like algebraic structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

9Cr steel visualization and predictive modeling

The goals of this work were to develop tools to visualize and characterize materials information, to explore new alloy compositions and/or processing, to better predict tensile strength and other mechanical properties. The 9–12 wt% Cr (9Cr) steel test data were compiled from several sources. About 3000 records with 30 predictor variables represent 82 unique steel alloy compositions, variations of thermo-mechanical processing steps and temperatures (homogenization, normalization and tempering cycles), test conditions and outcomes. Detailed data processing steps such as visualization and exploratory analysis, including univariate and bivariate analysis, different clustering techniques used to segment the data, statistical post-hoc analysis to verify significance of the findings, feature engineering to identify predictors of importance, and predictive modeling with cross-validation were performed. The outcome of analysis at each step was reviewed in the context of the domain knowledge of this class of steel, to see if there were underlying physical mechanisms that explain statistical relationships. Data analytics techniques and their parameters were fine-tuned to facilitate interpretation of the results as aligned with the insights from domain experts. Here, the ensemble predictive modeling using Random Forest regressor and post-hoc means comparison corroborated domain knowledge on the role of Co which is known to increase strength of steel alloys through solid-solution strengthening and to affect diffusion of alloying elements and precipitates. Alloys with Co content of 0.7–8 wt% had significantly higher mean strength than the ones without (while having Cr locked within 10–11 wt% range in either group and keeping other compositional element ratios fixed). End products of the computational techniques exploration are presented as the tools that can be used in iterative workflow of materials development and testing.

36 MATERIALS SCIENCE↗

Stochastic simulation of predictive space–time scenarios of wind speed using observations and physical model outputs

We propose a statistical space-time model for predicting atmospheric wind speed based on deterministic numerical weather predictions and historical measurements. We consider a Gaussian multivariate space-time framework that combines multiple sources of past physical model outputs and measurements in order to produce a probabilistic wind speed forecast within the prediction window. We illustrate this strategy on wind speed forecasts during several months in 2012 for a region near the Great Lakes in the United States. The results show that the prediction is improved in the mean-squared sense relative to the numerical forecasts as well as in probabilistic scores. Moreover, the samples are shown to produce realistic wind scenarios based on sample spectra and space-time correlation structure.

54 ENVIRONMENTAL SCIENCES↗