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At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Integration of software tools for integrative modeling of biomolecular systems

Integrative modeling computes a model based on varied types of input information, be it from experiments or prior models. Often, a type of input information will be best handled by a specific modeling software package. In such a case, we desire to integrate our integrative modeling software package, Integrative Modeling Platform (IMP), with software specialized to the computational demands of the modeling problem at hand. After several attempts, however, we have concluded that even in collaboration with the software's developers, integration is either impractical or impossible. The reasons for the intractability of integration include software incompatibilities, differing modeling logic, the costs of collaboration, and academic incentives. In the integrative modeling software ecosystem, several large modeling packages exist with often redundant tools. So we reason, therefore, that the other development groups have similarly concluded that the benefit of integration does not justify the cost. As a result, modelers are often restricted to the set of tools within a single software package. The inability to integrate tools from distinct software negatively impacts the quality of the models and the efficiency of the modeling. As the complexity of modeling problems grows, we seek to galvanize developers and modelers to consider the long-term benefit that software interoperability yields. In this article, we formulate a demonstrative set of software standards for implementing a model search using tools from independent software packages and discuss our efforts to integrate IMP and the crystallography suite Phenix within the Bayesian modeling framework.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Lyman continuum leaker candidates among highly ionised, low-redshift dwarf galaxies selected from He II

Contemporary research suggests that the reionisation of the intergalactic medium (IGM) in the early Universe was predominantly realised by star-forming (proto-)galaxies (SFGs). Due to observational constraints, our knowledge on the origins of sufficient amounts of ionising Lyman continuum (LyC) photons and the mechanisms facilitating their transport into the IGM remains sparse. Recent efforts have thus focussed on the study of local analogues to these high-redshift objects. We aim to acquire a set of very low-redshift SFGs that exhibit signs of a hard radiation field being present. A subsequent analysis of their emission line properties is intended to shed light on how the conditions prevalent in these objects compare to those predicted to be present in early SFGs that are thought to be LyC emitters (LCEs). We used archival spectroscopic SDSS DR12 data to select a sample of low-redshift He II 4686 emitters and restricted it to a set of SFGs with an emission line diagnostic sensitive to the presence of an active galactic nucleus, which serves as our only selection criterion. We performed a population spectral synthesis with FADO to reconstruct these galaxies’ star-formation histories (SFHs). Utilising the spectroscopic information at hand, we constrained the predominant ionisation mechanisms in these galaxies and inferred information on interstellar medium (ISM) conditions relevant for the escape of LyC radiation. Our final sample consists of eighteen ionised, metal-poor galaxies (IMPs). These low-mass (6.2 ≤ log(M * /M ⊙ ) ≤ 8.8), low-metallicity (7.54 ≤log(O/H) + 12 ≤ 8.13) dwarf galaxies appear to be predominantly ionised by stellar sources. We find large [OIII] 5007/[OII] 3727 ratios and [SII] 6717,6731/Hα deficiencies, which provide strong indications for these galaxies to be LCEs. At least 40% of these objects are candidates for featuring cosmologically significant LyC escape fractions ≳10%. The IMPs’ SFHs exhibit strong similarities and almost all galaxies appear to contain an old (> 1 Gyr) stellar component, while also harbouring a young, two-stage (~10 Myr and < 1 Myr) starburst, which we speculate might be related to LyC escape. The properties of the compact emission line galaxies presented here align well with those observed in many local LCEs. In fact, our sample may prove as an extension to the rather small catalogue of local LCEs, as the extreme ISM conditions we find are assumed to facilitate LyC leakage. Notably, all of our eighteen candidates are significantly closer (z < 0.1) than most established LCEs. If the inferred LyC photon loss is genuine, this demonstrates that selecting SFGs from He II 4686 is a powerful selection criterion in the search for LCEs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

The development of a room temperature electron cyclotron resonance ion source (Lanzhou electron cyclotron resonance ion source No. 4) with evaporative cooling technology at Institute of Modern Physics

LECR4 (Lanzhou electron cyclotron resonance ion source No. 4) has been successfully constructed at IMP and has also been connected with the Low Energy Beam Transport (LEBT) and Radio Frequency Quadrupole (RFQ) systems. These source magnet coils are cooled through evaporative cooling technology, which is the first attempt with an ECR ion source in the world. The maximum mirror field is 2.5 T (with iron plug) and the effective plasma chamber volume is 1.2 l. It was designed to be operated at 18 GHz and aimed to produce intense multiple charge state heavy ion beams for the linear injector project SSC-Linac at IMP. In February 2014, the first analyzed beam at 18 GHz was extracted. During about three months’ commissioning, some outstanding results have been achieved, such as 1.97 emA of O{sup 6+}, 1.7 emA of Ar{sup 8+}, 1.07 emA of Ar{sup 9+}, and 118 euA of Bi{sup 28+}. The source has also successfully delivered O{sup 5+} and Ar{sup 8+} ion beams for RFQ commissioning in April 2014. This paper will give a brief overview of the design of LECR4. Then, the latest results of this source at 18 GHz will be presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

An experimental study of the existence regions and non-linear interactions of drift wave and Kelvin–Helmholtz instabilities in a linear magnetized plasma

Experimental observations of the intrinsic excitation and non-linear interactions of drift wave (DW) and Kelvin–Helmholtz (KH) instabilities in a linear magnetized plasma column are presented. The experiments are carried out in the inverse mirror plasma experimental device (IMPED)—a cylindrical, magnetized, linear plasma machine designed to study low-frequency waves and instabilities in plasma. A novel feature of IMPED is the ability to control plasma profiles, such as the density n(r)⁠, electron temperature T e (r)⁠, and plasma potential V p (r) by varying the ratio Rm of the magnetic field in the main chamber to that in the source chamber. At high values of Rm, higher-density gradient scale length promotes the drift wave (DW) instability while lower Rm value results in a higher radial electric field, inducing a sheared poloidal flow that enhances the dominance of the Kelvin–Helmholtz (KH) mode. The background and fluctuating plasma parameters are characterized using various configurations of multiple in situ electric probes at different spatial locations to quantify the local gradients that excite the low-frequency primary instabilities. Statistical, spectral, and bispectral analysis of the density and potential signals help identify these modes in terms of wave number, frequency, phase, and amplitude and also delineate the nature of their non-linear interactions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Exclusive $J/ψ$ photoproduction on nuclei

Motivated by the recent experimental developments, the Pom-CQM model of the γ+N → J/ψ+N reaction of Lee et al. [Eur. Phys. J. A. 58, 252 (2022)] and Sakinah et al. [Phys. Rev. C. 109, 065204 (2024)] has been applied to predict the exclusive J/ψ photo-production on nuclei (A). Within the multiple scattering theory, the calculations have been performed by including the impulse amplitude $T^{\textrm{IMP}}_{J/ψA,γA}$ and the J/ψ-nucleus final state interaction (FSI) amplitude $T^{\textrm{FSI}}_{J/ψA,γA}$. For the deuteron target, $T^{\textrm{IMP}}_{J/ψd,γd}$ is calculated exactly using the wave function generated from the realistic nucleon-nucleon potentials. Here, it is found that, near the threshold region, the J/ψ photoproduction cross sections depend sensitively on the d-state of the deuteron wave function. The FSI amplitude $T^{\textrm{FSI}}_{J/ψA,γA}$ is calculated using the first-order optical potential constructed from the J/ψ-N scattering amplitude generated from the employed Pom-CQM model. It turns out that the FSI has significant effects in the large momentum-transfer region. By using the conventional fixed scatter approximation (FSA) and the nuclear form factors from the variational Monte-Carlo (VMC) calculations of Lonardoni et al. [Phys. Rev.C. 96, 024326 (2017)], the cross sections of the J/ψ photo-production on 4 He, 16 O, and 40 Ca are also predicted for future experimental investigations at JLab and EIC.

Kim, Sang-Ho [Soongsil University, Seoul (Korea, R↗
DOE OSTI2016

Gradient Flow and Scale Setting on MILC HISQ Ensembles

We report on a scale determination with gradient-flow techniques on the N f = 2 + 1 + 1 HISQ ensembles generated by the MILC collaboration. The ensembles include four lattice spacings, ranging from approximately 0.15 to 0.06 fm, and both physical and unphysical values of the quark masses. The scales p √t 0 /a and w 0 /a and their tree-level improvements,√t 0;imp and w 0;imp , are computed on each ensemble using Symanzik ow and the cloverleaf definition of the energy density E. Using a combination of continuum chiral perturbation theory and a Taylor-series ansatz for the lattice-spacing and strong-coupling dependence, the results are simultaneously extrapolated to the continuum and interpolated to physical quark masses. We also determine the scales p t 0 = 0:1416( +8 -5 ) fm and w 0 = 0:1717( +12 -11 ) fm, where the errors are sums, in quadrature, of statistical and all systematic errors. The precision of w 0 and √t 0 is comparable to or more precise than the best previous estimates, respectively. We also find the continuum mass-dependence of w 0 that will be useful for estimating the scales of other ensembles. Furthermore, we estimate the integrated autocorrelation length of . For long flow times, the autocorrelation length of appears to be comparable to or smaller than that of the topological charge.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Dynamic, symmetry-preserving, and hardware-adaptable circuits for quantum computing many-body states and correlators of the Anderson impurity model

We present a hardware-reconfigurable ansatz on N q -qubits for the variational preparation of many-body states of the Anderson impurity model (AIM) with N imp + N bath = N q /2 sites, which conserves total charge and spin z component within each variational search subspace. The many-body ground state of the AIM is determined as the minimum over all minima of O(N$^2_ q$) distinct charge-spin sectors. Hamiltonian expectation values are shown to require ω(N q ) < N meas. $\leqslant$ O(N imp N bath ) symmetry-preserving, parallelizable measurement circuits, each amenable to postselection. To obtain the one-particle impurity Green’s function we show how initial Krylov vectors can be computed via midcircuit measurement and how Lanczos iterations can be computed using the symmetry-preserving ansatz. For a single-impurity Anderson model with a number of bath sites increasing from one to seven, we show using numerical emulation that the ease of variational ground-state preparation is suggestive of linear scaling in circuit depth and subquartic scaling in optimizer complexity. We therefore expect that, combined with time-dependent methods for Green’s function computation, our ansatz provides a useful tool to account for electronic correlations on early fault-tolerant processors. Finally, with a view towards computing real materials properties of interest like magnetic susceptibilities and electron-hole propagators, we provide a straightforward method to compute many-body, time-dependent correlation functions using a combination of time evolution, midcircuit measurement-conditioned operations, and the Hadamard test.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Image Matrix Processor for Volumetric Computations Final Report CRADA No. TSB-1148-95

The development of an Image Matrix Processor (IMP) was proposed that would provide an economical means to perform rapid ray-tracing processes on volume "Giga Voxel" data sets. This was a multi-phased project. The objective of the first phase of the IMP project was to evaluate the practicality of implementing a workstation-based Image Matrix Processor for use in volumetric reconstruction and rendering using hardware simulation techniques. Additionally, ARACOR and LLNL worked together to identify and pursue further funding sources to complete a second phase of this project.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Benchmark Solutions for Radiation Transport in Stochastic Media with Inhomogeneous Material Statistics

Accurately solving implicit Monte Carlo (IMC) thermal photon transport problems with mixed material cells is important in realistic applications. The production IMC package at LLNL treats mixed material cells arising from ALE remap and hydrodynamics using the same approximate model. The new Imp IMC thermal photon transport package currently under development has both a material interface reconstruction (MIR) algorithm and a Levermore-Pomraning (LP) stochastic medium algorithm for treating mixed material cells. Existing stochastic medium algorithms for treating mixed material cells in IMC lack a complete theoretical basis. The IMC LP algorithm implementation has been demonstrated to reproduce published deterministic LP solutions for the particular case of spatially homogeneous material statistics. Realistic simulations will include spatially inhomogeneous material statistics (material mean chord lengths). In a previous investigation, the LP-model for transport in binary stochastic media in rod geometry was generalized to accommodate spatially varying material chord lengths, i.e., the mixing statistics were allowed to be nonhomogeneous. Analytical solutions were obtained and used to produce a verifi cation suite for the Imp IMC Levermore-Pomraning implementation for different spatial variations of the chord lengths. However, the accuracy of the LP model when the mixing statistics are nonhomogeneous has not been assessed and leaves open the question of whether local accuracy is improved or further degraded when chord lengths are not uniform. This shortcoming is rectifi ed here by developing benchmark analytic solutions for transport in binary Markovian stochastic mixtures in rod geometry with nonhomogeneous mixing statistics, using spatially varying chord lengths considered in the previous investigation based on the LP model. Methods for sampling a nonhomogeneous Poisson process (NHPP) are first described and used to construct individual realizations of the binary mixtures in rod geometry. Analytic solutions are then obtained for the forward and backward directed fluxes on a given realization, now viewed as a deterministic medium with alternating layers of the two materials with known interface locations. Finally, material averaged scalar fluxes are obtained using these sampling schemes with spatially linear and quadratic chord lengths and used to assess the accuracy of the previously obtained LP-model results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

A survey of chemical separation in accreting neutron stars

The heavy element ashes of rp-process hydrogen and helium burning in accreting neutron stars are compressed to high density where they freeze, forming the outer crust of the star. We calculate the chemical separation on freezing for a number of different nuclear mixtures resulting from a range of burning conditions for the rp-process. We confirm the generic result that light nuclei are preferentially retained in the liquid and heavy nuclei in the solid. This is in agreement with the previous study of a 17-component mixture of rp-process ashes by Horowitz et al., but extends that result to a much larger range of compositions. We also find an alternative phase separation regime for the lightest ash mixtures which does not demonstrate this generic behavior. With a few exceptions, we find that chemical separation reduces the expected Q{sub imp} in the outer crust compared to the initial rp-process ash, where Q{sub imp} measures the mean-square dispersion in atomic number Z of the nuclei in the mixture. We find that the fractional spread of Z plays a role in setting the amount of chemical separation and is strongly correlated to the divergence between the two/three-component approximations and the full component model. The contrast in Y {sub e} between the initial rp-process ashes and the equilibrium liquid composition is similar to that assumed in earlier two-component models of compositionally driven convection, except for very light compositions which produce nearly negligible convective driving. We discuss the implications of these results for observations of accreting neutron stars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Release history and transport parameters of relativistic solar electrons inferred from near-the-sun in situ observations

We study four consecutive 300–800 keV electron events observed on 1980 May 28 by Helios-1, when the spacecraft was located at 0.31 au from the Sun. We use two different techniques to extract the release time history of electrons at the Sun: (1) a data-driven method based on the assumption that particles conserve their magnetic moment as they propagate between the Sun and the spacecraft and (2) an inversion method that utilizes particle transport simulation results. Both methods make use of the particle angular distributions measured relative to the local direction of the magnetic field. The general characteristics of the release time profiles obtained by these two techniques are similar, especially during their rising phases. We find indications that the strength of the interplanetary scattering varies with the size of the solar parent event, suggesting that scattering processes are not necessarily an inherent property of the medium but are related to the amount of released particles at the Sun. We use the inferred release profiles to compute the expected intensities at 1 au. In contrast to simultaneous near-Earth observations by the Interplanetary Monitoring Platform (IMP-8), our simulations predict the observation of four separate events at 1 au. Processes that could contribute to the observation of one single time-extended event at 1 au include (1) distinct magnetic connections of the spacecraft to the particle sources, (2) the spatio-temporal evolution of the particle sources, and (3) different particle transport conditions, including a variation of λ{sub r} with radial distance and/or heliolongitude, as well as the possibility that electrons reached IMP-8 by diffusion perpendicular to the interplanetary magnetic field.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

The Cosmic Shoreline: The Evidence that Escape Determines which Planets Have Atmospheres, and what this May Mean for Proxima Centauri B

The planets of the solar system are neatly divided between those with atmospheres and those without when arranged by insolation (I) and escape velocity (v{sub esc}). The dividing line goes at I∝v{sub esc}{sup 4}. Exoplanets with reported masses and radii are shown to crowd against the extrapolation of the solar system trend, making a metaphorical cosmic shoreline that unites all the planets. The I∝v{sub esc}{sup 4} relation may implicate thermal escape. We therefore address the general behavior of hydrodynamic thermal escape models ranging from Pluto to highly irradiated extrasolar giant planets (EGPs). Energy-limited escape is harder to test because copious XUV radiation is mostly a feature of young stars, and hence requires extrapolating to historic XUV fluences (I{sub xuv}) using proxies and power laws. An energy-limited shoreline should scale as I{sub xuv}∝v{sub esc}{sup 3}√ρ, which differs distinctly from the apparent I{sub xuv}∝v{sub esc}{sup 4} relation. Energy-limited escape does provide good quantitative agreement to the highly irradiated EGPs. Diffusion-limited escape implies that no planet can lose more than 1% of its mass as H{sub 2}. Impact erosion, to the extent that impact velocities v{sub imp} can be estimated for exoplanets, fits a v{sub imp}≈4--5 v{sub esc} shoreline. The proportionality constant is consistent with what the collision of comet Shoemaker–Levy 9 showed us we should expect of modest impacts in deep atmospheres. With respect to the shoreline, Proxima Centauri b is on the metaphorical beach. Known hazards include its rapid energetic accretion, high impact velocities, its early life on the wrong side of the runaway greenhouse, and Proxima Centauri’s XUV radiation. In its favor is a vast phase space of unknown unknowns.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1971

Unusual cosmic ray intensity decrease of 18 December 1965

A higher than normal ratio is reported for the decrease of cosmic ray intensity on 18 December 1965. This value was attributed to the depletion of a low rigidity electron component which also contributes to the counting rate of the IMP 3 detector. Significant difference is observed in the onset times recorded by the IMP 3 detector and Alert neutron monitor.

Desai, U. D.↗
NASA NTRS1972

Evaluation of spacecraft boom deployment dynamics by combined analysis and testing.

Discussion of the deployment of multiple hinged booms from the IMP-I satellite, which is a good example of the use of the combined analysis and testing approach for preflight system reliability evaluation. The procedures used for test and evaluation of the booms are described, and problems encountered and results achieved are considered. Analytical methods, using a digital computer program, and functional test operation with the best possible environmental simulation, were both applied to the problem and comparisons between analytical and test results were made to evaluate their validity and to reveal the effects of errors and imperfections. There is a synergistic advantage in the combined approach in that mutual comparison gives better evaluation of both analysis and test results than independent study of either. An appendix presents some results of a later and as yet incomplete test program involving the IMP-H satellite.

Lang, W. E.↗
NASA NTRS1973

Preliminary Pioneer-10 intensity gradients of galactic cosmic rays.

Selected data from the University of Chicago charged-particle telescope on the Pioneer-10 spacecraft bound for Jupiter have been examined and compared with data from the University of Chicago charged-particle telescopes on the Earth satellites IMP-5 and IMP-6 at 1 AU to derive a preliminary integral intensity gradient for relativistic galactic protons and helium nuclei. The preliminary value obtained is (4.5 plus or minus 1.0) percent per AU over the radial range 1-2.8 AU. Preliminary differential gradients also have been obtained for the energy range 29-67 MeV per nucleon.

Mckibben, R. B.↗
NASA NTRS1973

Solar flare accelerated isotopes of hydrogen and helium

Measurements of solar flare hydrogen, deuterium, tritium, helium-3, and helium-4 in the energy range approximately 10 to 50 MeV per nucleon obtained with instrumentation on the IMP-4 and IMP-5 satellites are reported and studies based on these results which place several constraints on theories of solar flare particle acceleration are discussed. A brief review of previous work and the difficulties in studying the rare isotopes of hydrogen and helium is also included. Particular emphasis is placed on the fact that the information to be obtained from the solar flare products of high energy interactions is not available through either solar wind observations where both the acceleration mechanism and the coronal source of the nuclear species are different, or optical measurements of solar active regions.

Anglin, J. D.↗
NASA NTRS1974

IMPMOT user's manual

This user's manual describes the input and output variables as well as the job control language necessary to utilize the IMP-H apogee motor firing program, IMPMOT. The IMPMOT program can be executed as either a stand-alone program or as a member of the flight dynamics system. This program is used to determine the time and attitude at which to fire the IMP-H apogee boost motor. The IMPMOT program is written in FORTRAN 4 for use on the IBM 360 series computer.

Stewart, D. J.↗
NASA NTRS1973

Deuterium and tritium from solar flares at approximately 10 MeV per nucleon

It is indicated that the observations with the high-resolution solid-state charged-particle telescopes of the IMP-5 and IMP-6 earth satellites have resolved all the hydrogen and helium isotopes of solar-flare origin in groups of solar flares during the period from September, 1969, through November, 1972. The values obtained for the average isotope ratios are given and are compared with previous values. It is concluded that the observed high yields of H(2), H(3) and He(3) can be explained only by high-energy nuclear interactions and that an acceleration process must have taken place in the chromosphere at that time.

Anglin, J. D.↗