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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 919 records · Page 51

Structural sensitivity analysis: Methods, applications and needs

Innovative techniques applicable to sensitivity analysis of discretized structural systems are reviewed. The techniques include a finite difference step size selection algorithm, a method for derivatives of iterative solutions, a Green's function technique for derivatives of transient response, simultaneous calculation of temperatures and their derivatives, derivatives with respect to shape, and derivatives of optimum designs with respect to problem parameters. Computerized implementations of sensitivity analysis and applications of sensitivity derivatives are also discussed. Some of the critical needs in the structural sensitivity area are indicated along with plans for dealing with some of those needs.

Adelman, H. M.↗

Using KBase to Assemble and Annotate Prokaryotic Genomes

The DOE Systems Biology Knowledgebase is an open–access bioinformatics software and data platform for analyzing plants, microbes, and their communities. KBase enables scientists to create, execute, collaborate on, and share reproducible analyses of their biological data in the context of public data and private collaborator data. For microbiologists researching prokaryotes, KBase offers analysis tools for performing quality control and assessment of Next–Generation Sequencing reads, de novo assembly, genome annotation, and tools for analyzing structural and functional features of genomes. As a result, this unit demonstrates an example workflow for taking a comparative and iterative approach to assembly and annotation of prokaryotic genomes using KBase that can be used by microbiologists seeking to perform isolate analysis in a rapid and reproducible fashion.

59 BASIC BIOLOGICAL SCIENCES↗

Jet fragmentation function and groomed substructure of bottom quark jets in proton-proton collisions at 5.02 TeV

A measurement of the substructure of bottom quark jets (b jets) in proton-proton (pp) collisions is presented. The measurement uses data collected in pp collisions at $\sqrt{s}=5.02$ TeV, with a low number of simultaneous interactions per bunch crossing, recorded by the CMS experiment in 2017, corresponding to an integrated luminosity of 301 pb −1 . An algorithm to identify and cluster the charged decay daughters of b hadrons is developed for this analysis, which facilitates the exposure of the gluon radiation pattern of b jets using iterative Cambridge-Aachen declustering. The soft-drop-groomed jet radius, R g , and momentum balance, z g , of b quark jets are presented. These observables can be used to test perturbative quantum chromodynamics predictions that account for mass effects. Because the b hadron is partially reconstructed from its charged decay daughters, only charged particles are used for the jet substructure studies. In addition, a jet fragmentation function, z b,ch , is measured, which is defined as the distribution of the ratio of the transverse momentum (p T ) of the partially reconstructed b hadron with respect to the charged-particle component of the jet p T . The substructure variable distributions are unfolded to the charged-particle level. The b jet substructure is compared to the substructure of jets in an inclusive jet sample that is dominated by light-quark and gluon jets in order to assess the role of the b quark mass. A strong suppression of emissions at small R g values is observed for b jets when compared to inclusive jets, consistent with the dead-cone effect. The measurement is also compared with theoretical predictions from Monte Carlo event generators. This is the first substructure measurement of b jets that clusters together the b hadron decay daughters independent of the b hadron species and decay channel.

boosted jets↗

The influence of fusion-relevant D 2 -0.1He plasma on Be-W mixed-materials

We report compositionally homogeneous mixed-material layers of Be and W, ∼2 μm thick, and of various W contents (spanning 0–100 at.% W), are produced by thermionic vacuum arc deposition. The layers are exposed to low energy (∼50 eV), high ion flux (6–8 × 10 22 m −2 s −1 ) D 2 -0.1He (10% He) mixed species plasma at 473 K and 1073 K to simulate ITER-like first wall and divertor plasma-material interaction. Surface morphological and compositional analysis is conducted prior and subsequent to plasma exposure. The action of the plasma produces almost complete depletion of Be from the near surface, and this is found regardless of the exposure temperature or initial composition. In the exposure case of 473 K, thermal desorption spectrometry reveals decreased D retention in W rich compositions compared to similar exposure in D 2 plasma without He, but no discernable difference is noted in Be rich compositions. At 1073 K, surface enrichment in W, by depletion of the Be, results in He induced W “fuzz” structures for all Be-W compositions explored.

36 MATERIALS SCIENCE↗

Iterative reconstruction of magnetic induction using Lorentz transmission electron tomography

Intense ongoing research on complex nanomagnetic structures requires a fundamental understanding of the 3D magnetization and the stray fields around the nano-objects. 3D visualization of such fields offers the best way to achieve this. Lorentz transmission electron microscopy provides a suitable combination of high resolution and ability to quantitatively visualize the magnetization vectors using phase retrieval methods. In this paper, we present a formalism to represent the magnetic phase shift of electrons as a Radon transform of the magnetic induction of the sample. Using this formalism, we then present the application of common tomographic methods particularly the iterative methods, to reconstruct the 3D components of the vector held. We present an analysis of the effect of missing wedge and the limited angular sampling as well as reconstruction of complex 3D magnetization in a nanowire using simulations.

Phatak, C.↗

Probing multi-dimensional composition spaces in search of strong metallic alloys

Refractory complex concentrated alloys (RCCA) offer exceptionally high-temperature strength compared to pure metals and dilute alloys, but predictive theory for RCCA design is lacking. We present large-scale molecular Dynamics (MD) simulations of crystal plasticity to explore alloy compositions for maximum mechanical strength, focusing on Fe-Ta-W and Nb-Ta-Mo-W alloy families modeled with Embedded Atom Model (EAM) and Spectral Neighbor Analysis Potentials (SNAP). To efficiently guide the search for strong alloy compositions, we employ iterative optimization using Gaussian process regression. Many simulated RCCA compositions exhibit pronounced cocktail strengthening, with strengths surpassing their strongest constituent metal, tungsten. Contrary to expectations, the highest strength is found on binary edges of the RCCA composition space. Detailed analyses of atomistic simulations reveal that, similar to pure BCC metals, plastic response in RCCA is primarily governed by screw dislocations. However, at large strains, dislocation multiplication and interactions (Taylor hardening) become the dominant mechanisms contributing to RCCA strength.

Materials science↗

Fast-ions on Alcator C-Mod: Comparisons between Simulation and Experiment for Equilibrium and Evolving Distributions

Analysis of fast-ion distributions >100 T{sub e} is important for both ITER and a fusion reactor, as both will have a significant population of fusion-born alpha particles. Furthermore, energetic ions may display transport properties that differ from the bulk plasma. It is imperative to benchmark current simulation codes with measurements of highly energetic fast-ions on current devices. Experimental measurements of ICRF heated H-minority plasmas on Alcator C-Mod are performed with an upgraded Compact Neutral Particle Analyzer (CNPA). The CNPA consists of vertically-viewing photodiode detectors with viewing chords from r/a = {approx}0.18 to 0.6 and energies from 150 keV to 1.5 MeV. The CNPA measurements are compared to the output of a synthetic diagnostic that has been added to the Fokker-Planck solver CQL3D. CQL3D is coupled with the full-wave solver AORSA to evolve a self-consistent fast-ion distribution. Good agreement is obtained between simulation and experiment for fast ion distributions that are in steady-state (df/dt = 0). However, there are discrepancies between the experimental and simulated results for the time-dependent evolution of the fast-ion distribution. A possible explanation of the discrepancy is due to violation of certain assumptions of quasi-linear theory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Energetics of runaway electrons during tokamak disruptions

In a tokamak disruption, a substantial fraction of the plasma current can be converted into runaway electrons. Although these are usually highly relativistic, their total energy is initially much smaller than that of the pre-disruption plasma. However, following a suggestion by Putvinski et al.[Plasma Phys. Controlled Fusion 39, B157 (1997)], it is shown that as the post-disruption plasma drifts toward the first wall, a non-negligible part of the energy contained in the poloidal magnetic field can be converted into kinetic energy of the runaway electrons. This process is simulated numerically, and it is found that in an ITER-like tokamak runaway electrons can gain kinetic energies up to about 70 MJ by this mechanism.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A coarse-grained transport model for neutral particles in turbulent plasmas

The transport of neutral particles in turbulent plasmas is addressed from the prospect of developing coarse-grained transport models which can be implemented in code suites like B2-EIRENE, currently used for designing the ITER divertor. The statistical properties of turbulent fluctuations are described by a multivariate Gamma distribution able to retain space and time correlations through a proper choice of covariance function. We show that in the scattering free case, relevant for molecules and impurity atoms, the average neutral particle density obeys a Boltzmann equation with an ionization rate renormalized by fluctuations. This result lends itself to a straightforward implementation in the EIRENE Monte Carlo solver for neutral particles. Special emphasis is put on the inclusion of time correlations, and in particular on the ballistic motion of coherent turbulent structures. The role of these time dependent effects is discussed for D{sub 2} molecules and beryllium atoms. The sensitivity of our results to the assumptions on the statistical properties of fluctuations is investigated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Numerical analysis of ELM stability with rotation and ion diamagnetic drift effects in JET

Stability to the type-I edge localized mode (ELM) in JET plasmas was investigated numerically by analyzing the stability to a peeling-ballooning mode with the effects of plasma rotation and ion diamagnetic drift. The numerical analysis was performed by solving the extended Frieman–Rotenberg equation with the MINERVA-DI code. To take into account these effects in the stability analysis self-consistently, the procedure of JET equilibrium reconstruction was updated to include the profiles of ion temperature and toroidal rotation, which are determined based on the measurement data in experiments. With the new procedure and MINERVA-DI, it was identified that the stability analysis including the rotation effect can explain the ELM trigger condition in JET with ITER like wall (JET-ILW), though the stability in JET with carbon wall (JET-C) is hardly affected by rotation. The key difference is that the rotation shear in JET-ILW plasmas analyzed in this study is larger than that in JET-C ones, the shear which enhances the dynamic pressure destabilizing a peeling-ballooning mode. In addition, the increase of the toroidal mode number of the unstable MHD mode determining the ELM trigger condition is also important when the plasma density is high in JET-ILW. Though such modes with high toroidal mode number are strongly stabilized by the ion diamagnetic drift effect, it was found that plasma rotation can sometimes overcome this stabilizing effect and destabilizes the peeling-ballooning modes in JET-ILW.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

EcoPLOT: dynamic analysis of biogeochemical data

Motivation: We have created EcoPLOT (parameterized linkage of omics-driven technologies), a web-app for the dynamic, interactive analysis of biogeochemical datasets that combines state-of-the-art analysis tools to statistically and graphically explore environmental, geochemical and microbiome datasets. Using the iterative random forest, a machine learning algorithm, EcoPLOT allows for the de novo discovery of drivers which exhibit significant impact on plant, microbial or soil dynamics. Availability and implementation: EcoPLOT is built entirely within the R language. It can be accessed through any system where R is installed, including Windows, Mac and most Linux systems. EcoPLOT is free to use and can be accessed at https://github.com/cdsanchez18/EcoPLOT.

59 BASIC BIOLOGICAL SCIENCES↗

A Science Gateway for the Repeatable Analysis of Machine Learning Predicted Gravity Anomalies

In recent years, deep learning has become an increasingly popular alternative for modeling in geoscience applications due to its scalability and efficiency. However, the interpretability, compute, data volume, and hyperparameter tuning requirements of deep learning models make development and monitoring difficult. Furthermore, model explainability and communicating results obtained by these models to users or domain experts is a challenge, as domain experts in geoscience also need to have a deep understanding of how those models function in order to support their scientific works. Here, we describe a science gateway and machine learning pipeline for predicting gravity anomalies from geophysical data. The gateway, built on open-source technologies, provides a holistic view of the pipeline through interactive visualizations aimed at enabling efficient exploratory data analysis. The repeatability, reproducibility, and monitoring capabilities of this overall system allow us to iterate and analyze at scale. Using this pipeline and gateway, we can repeatedly produce accurate high-resolution gravity anomaly datasets. By describing the underlying technologies, implementation, and results, here we provide a foundation for the broader adoption of science gateways into cross-cutting geoscience and machine learning research projects as a means to improve the scientific discovery and collaboration in the geophysics and computational sciences community.

58 GEOSCIENCES↗

Capture and isotopic exchange method for water and hydrogen isotopes on zeolite catalysts up to technical scale for pre-study of processing highly tritiated water

Highly tritiated water (HTW) may be generated at ITER by various processes and, due to the excessive radio toxicity, the self-radiolysis and the exceedingly corrosive property of HTW, a potential hazard is associated with its storage and process. Therefore, the capture and exchange method for HTW utilizing Molecular Sieve Beds (MSB) was investigated in view of adsorption capacity, isotopic exchange performance and process parameters. For the MSB, different types of zeolite were selected. All zeolite materials were additionally coated with platinum. The following work comprised the selection of the most efficient zeolite candidate based on detailed parametric studies during the H{sub 2}/D{sub 2}O laboratory scale exchange experiments (about 25 g zeolite per bed) at the Tritium Laboratory Karlsruhe (TLK). For the zeolite, characterization analytical techniques such as Infrared Spectroscopy, Thermogravimetry and online mass spectrometry were implemented. Followed by further investigation of the selected zeolite catalyst under full technical operation, a MSB (about 22 kg zeolite) was processed with hydrogen flow rates up to 60 mol*h{sup -1} and deuterated water loads up to 1.6 kg in view of later ITER processing of arising HTW. (authors)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Safeguard Requirements for Fusion Power Plants

Nuclear proliferation risks from magnetic fusion energy associated with access to fissile materials can be divided into three main categories: 1) clandestine production of fissile material in an undeclared facility, 2) covert production and diversion of such material in a declared and safeguarded facility, and 3) use of a declared facility in a breakout scenario, in which a state openly produces fissile material in violation of international agreements. The degree of risk in each of these categories is assessed, taking into account both state and non-state actors, and it is found that safeguards are required for fusion energy to be highly attractive from a non-proliferation standpoint. Specific safeguard requirements and R&D needs are outlined for each category of risk, and the technical capability of the ITER experiment, under construction, to contribute to this R&D is noted. A preliminary analysis indicates a potential legal pathway for fusion power systems to be brought under the Treaty for the Non-Proliferation of Nuclear Weapons. "Vertical" proliferation risks associated with tritium and with the knowledge that can be gained from inertial fusion energy R&D are outlined.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Evaluation Toolkit for Technical Assistance Programs

Across the United States, every home, business, industry, and government depends on abundant, reliable, and affordable electricity. Energy stakeholders have many options to improve how energy is generated, distributed, and used, but choosing the right path can be complex and challenging. To support more informed decision-making about local electricity systems, the U.S. Department of Energy (DOE) and its national laboratories provide customized technical assistance (TA) through several different programs. These TA programs are designed to support a wide range of stakeholders with a variety of needs. Technical assistance may include brief consultations with subject-matter experts, in-depth technical modeling and analysis, stakeholder engagement, and peer-to-peer exchange. Delivering effective TA is an iterative process that requires evaluation and adaptation. A comprehensive and robust evaluation framework provides the structure needed to ensure that TA programs and practitioners remain effective, responsive to industry trends, and aligned with local needs. This toolkit provides a framework—including a clear, structured process—that TA program staff can adapt to their program's goals to evaluate success.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

TAP 1: A Finite Element Program for Steady-State Thermal Analysis of Convectively Cooled Structures

The program has a finite element library of six elements: two conduction/convection elements to model heat transfer in a solid, two convection elements to model heat transfer in a fluid, and two integrated conduction/convection elements to represent combined heat transfer in tubular and plate/fin fluid passages. Nonlinear thermal analysis due to temperature dependent thermal parameters is performed using the Newton-Raphson iteration method. Program output includes nodal temperatures and element heat fluxes. Pressure drops in fluid passages may be computed as an option. A companion plotting program for displaying the finite element model and predicted temperature distributions is presented. User instructions and sample problems are presented in appendixes.

Thornton, E. A.↗

Influence of exit impedance on finite difference solutions of transient acoustic mode propagation in ducts

The time-dependent governing acoustic-difference equations and boundary conditions are developed and solved for sound propagation in an axisymmetric (cylindrical) hard-wall duct without flow and with spinning acoustic modes. The analysis begins with a harmonic sound source radiating into a quiescent duct. This explicit iteration method then calculates stepwise in real time to obtain the steady solutions of the acoustic field. The transient method did not converge to the steady-state solution for cutoff acoustic duct modes. This has implications as to its use in a variable-area duct, where modes may become cutoff in the smal-area portion of the duct. For single cutoff mode propagation the steady-state impedance boundary condition produced acoustic reflections during the initial transient that caused finite instabilities in the numerical calculations. The stability problem is resolved by reformulating the exit boundary condition. Example calculations show good agreement with exact analytical and numerical results for forcing frequencies above, below, and nearly at the cutoff frequency.

Baumeister, K. J.↗