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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 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Analysis of the time-of-flight neutron scattering cross-section data for light water measured at the SEQUOIA spectrometer, Spallation Neutron Source (SNS)

Thermal neutron scattering cross-section data for light water available in the major nuclear data libraries observes significant differences especially at reactor operating temperatures. During the past few years there has been a renewed interest in reviewing the existing thermal scattering models and generating more accurate and reliable thermal scattering cross sections using existing experimental data and in some cases based on Molecular Dynamics (MD) simulations. There is a need for performing new time-of-flight experiments at high temperatures and pressures, to have a better understanding of the physics involved in the scattering process that could help improve the existing TSL data.Lack of experimental thermal scattering data for light water at high temperatures led to a new measurement campaign within the INSIDER project at the Institut de radioprotection et de sûreté nucléaire (IRSN). Double differential scattering cross section for light water have been measured at the SEQUOIA spectrometer based at the Spallation Neutron Source (SNS), Oak Ridge National Laboratory, United States. Several measurements have been carried out at different temperatures and pressures corresponding to liquid light water. Measurements at five different incident neutron energies Ei (8, 60, 160, 280 and 800 meV) have been carried out to help exploring different regions of the frequency spectrum. This paper presents the analysis of the dynamic structure factor and the derived frequency spectrum of light water. The analysis of the experimental data would provide one with better confidence, the behavior of thermal scattering cross sections for light water at high temperatures, knowledge of which is very important for the design of novel reactors as well as existing pressurized water reactors.

Jaiswal, V↗
DOE OSTI2021

Fast Rossi-alpha Measurements of Plutonium Using Organic Scintillators

In this work, Rossi-alpha measurements were simultaneously performed with a 3 He-based detection system and an organic scintillator-based detection system. The assembly is 15 kg of plutonium (93 wt% 239 Pu) reflected by copper and moderated by lead. The goal of Rossi-alpha measurements is to estimate the prompt neutron decay constant, alpha. Simulations estimate $k_{eff}$ = 0:624 and α = 52:3 ± 2:5 ns for the measured assembly. The organic scintillator system estimated α = 47:4 ± 2:0 ns, having a 9.37% error (though the 1.09 standard deviation confidence intervals overlapped). The 3 He system estimated α = 37 μs. The known slowing down time of the 3 He system is 35-40 μs, which means the slowing down time dominates and obscures the prompt neutron decay constant. Subsequently, the organic scintillator system should be used for assemblies with alpha much less than 35 μs.

3He↗
DOE OSTI2023

Constraints on hadron resonance gas interactions via first-principles Lattice QCD susceptibilities

We investigate extensions of the Hadron Resonance Gas (HRG) Model beyond the ideal case by incorporating both attractive and repulsive interactions into the model. When considering additional states exceeding those measured with high confidence by the Particle Data Group, attractive corrections to the overall pressure in the HRG model are imposed. On the other hand, we also apply excluded-volume corrections, which ensure there is no overlap of baryons by turning on repulsive (anti)baryon-(anti)baryon interactions. We emphasize the complementary nature of these two extensions and identify combinations of conserved charge susceptibilities that allow us to constrain them separately. In particular, we find interesting ratios of susceptibilities that are sensitive to one correction and not the other. This allows us to constrain the excluded volume and particle spectrum effects separately. Analysis of the available lattice results suggests the presence of both the extra states in the baryonstrangeness sector and the repulsive baryonic interaction, with indications that hyperons have a smaller repulsive core than non-strange baryons. We note that these results are interesting for heavy-ion-collision systems at both the LHC and RHIC.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Distributed Machine Learning Workflow with PanDA and iDDS in LHC ATLAS

Machine Learning (ML) has become one of the important tools for High Energy Physics analysis. As the size of the dataset increases at the Large Hadron Collider (LHC), and at the same time the search spaces become bigger and bigger in order to exploit the physics potentials, more and more computing resources are required for processing these ML tasks. In addition, complex advanced ML workflows are developed in which one task may depend on the results of previous tasks. How to make use of vast distributed CPUs/GPUs in WLCG for these big complex ML tasks has become a popular research area. In this paper, we present our efforts enabling the execution of distributed ML workflows on the Production and Distributed Analysis (PanDA) system and intelligent Data Delivery Service (iDDS). First, we describe how PanDA and iDDS deal with large-scale ML workflows, including the implementation to process workloads on diverse and geographically distributed computing resources. Next, we report real-world use cases, such as HyperParameter Optimization, Monte Carlo Toy confidence limits calculation, and Active Learning. Finally, we conclude with future plans.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Simulations of ICRF Heating for SPARC during First Campaign and Primary Reference-Like Discharge using the Stix Code

High magnetic field tokamaks, like SPARC, rely on ion cyclotron radio frequency heating (ICRF) to reach fusion relevant temperatures. The SPARC tokamak will have 14 ICRF antennas in 7 toroidal locations delivering > 20 MW of power to the plasma. New capabilities with the full wave cold plasma solver, Stix, now allow for resolving the wave-particle resonances using lower order thermal corrections to capture core absorption of Landau damping and ion resonances in devices like SPARC. Favorable comparisons to the TORIC codes give confidence in the single pass absorption of this model to accurately capture the strength of edge interactions of the RF. Using this new dielectric formulation in the Stix code, simulations of the 2D poloidal cross section of SPARC are completed for the first campaign and primary reference-like discharges (PRD-like). A scan of the minority ion concentrations of helium-3 is performed and shows the expected behavior that as the helium-3 decreases the amount of single pass absorption also decreases which is seen in both scenarios. Additionally, both scenarios show only slight differences in single-pass absorption for the range of 3% to 5% helium-3 allowing for more flexibility in experiments. This study also highlights the differences between the first campaign and PRD-like with the first campaign discharges showing much more multi-pass absorption and an effect of confining the wave to a smaller portion of the cross-section due to the fast wave cut-off. This latter result suggests that far-field sheath rectification at the high-field side would be minimal for the first campaign scenario.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Evaluation of DIII-D plasmas for Future Measurements of the Driven Current Density in the DIII-D High Field Side Lower Hybrid Experiment

High field side (HFS) lower hybrid current drive (LHCD) is a promising method for efficiently driving off-axis current in steady state tokamak power plants. The first test of this technology is underway at the DIII-D tokamak. The initial physics goal is to measure the LH-driven current density profile in order to validate the ray-tracing/Fokker-Plank codes GENRAY/CQL3D and gain confidence in their ability to predict LH deposition in future DIII-D experiments and fusion power plants. DIII-D’s motional Stark effect (MSE) diagnostic will be used to constrain the magnetic equilibrium reconstructions. From these reconstructions, the ohmic, bootstrap, and driven non-inductive components of the current density profile can be extracted. Several recent DIII-D plasmas have been identified in which GENRAY/CQL3D predict measurable amounts of current with only 100 kW of coupled power.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

O’Hare Airport Short-Term Ground Transportation Modal Demand Forecast Using Gaussian Processes

Here, the principal objective of this study is to analyze the spatial and temporal variation of ground transportation airport demand and provide demand forecast to inform planning capability and explore alternatives for investments to accommodate airport growth. Because of its good adaptability and strong generalization ability for dealing with high-dimensional input, small-sample, and nonlinear spatial data, Gaussian process (GP) regression is used to provide forecast estimates using data from transportation network company (TNC) trips and urban rail passengers at Chicago's O'Hare International Airport. TNC airport trips differ significantly, with three times more distance, more than twice the travel time, and half of the share requests compared with nonairport trips. This highlights the need for separate demand models. Hourly analysis of the rail service indicates that this is likely heavily used by airport workers, whereas TNC services focus on travelers because of variations in the peak demand hours. Heteroscedastic GP regression is implemented because of differences in trip variance between night and day hours. Estimates are given for weekdays and weekend trips, and the 95% confidence intervals are calculated. The introduction of flight schedule information into the models shows marginal improvements in their performance. However, fitting a GP regression becomes computationally expensive with increased sample size and the introduction of spatial components. Transportation planners and policymakers can use the results and methods implemented in this study to optimize transportation assets and provide long-range simulations of the current and future conditions in the area.

42 ENGINEERING↗
DOE OSTI2020

A multi-wavelength streaked optical pyrometer for dynamic shock compression measurements above 2500 K

This work presents a concept and implementation of a calibrated streaked spectral pyrometer (SSP) temperature diagnostic used in dynamically driven shock experiments on a two-stage gas gun. This system relies upon measuring the total system response using a tunable monochromator, a NIST-traceable calibrated power meter, and a SSP. The diagnostic performance is validated against previously measured temperatures of shock driven z-cut quartz at 99 GPa and 93 GPa. The results are found to agree with the literature to within 5% and are discussed in this manuscript. The experimental setup utilizes measurements from multiple SSP systems per sample, providing several independent measurements and substantially increasing confidence in the extrapolated shock driven sample temperature.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Three-dimensional microstructure-explicit and void-explicit mesoscale simulations of detonation of HMX at millimeter sample size scale

Fully three-dimensional (3D) microstructure-explicit and void-explicit mesoscale simulations of the shock-to-detonation (SDT) process of pressed granular HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) are performed. The overall size scale of the models is up to 3 × 3 × 15 mm3, with ∼30 000 grains and 206 265 voids. The models account for the heterogeneous material microstructure, constituent distribution, constituent morphology, and voids. Loading conditions considered involve piston velocities in the range of 600–1200 m/s or pressures in the range of 4–8 GPa. The focus is on analyzing the SDT process and the effects of microstructure and voids on the run-to-detonation distance (RDD). Companion two-dimensional (2D) simulations are also carried out to assess the differences between 2D and 3D. Statistically equivalent microstructure sample sets (SEMSSs) are generated and used for both 2D and 3D, allowing the prediction of the statistical and probabilistic Pop plots (PPs). The predictions are in general agreement with trends in available experimental data in the literature. It is found that both the microstructure (heterogeneous grain size, morphology, and size distribution) and voids significantly affect the RDD and the PPs. These effects are systematically delineated and quantified via the use of SEMSSs with different combinations of attributes. A recently developed probabilistic formulation for the PPs is used to characterize the results, allowing uncertainties in the relations between the shock pressure and RDD arising from material heterogeneities to be quantified. The probabilistic formulation is further used to quantify the confidence levels in the ranked order of influences of different combinations of microstructure and voids on the PPs.

Miller, Christopher (ORCID:0000000206844381)↗
DOE OSTI2020

Soft x-ray spectrum unfold of K-edge filtered x-ray diode arrays using cubic splines

Cubic spline interpolation is able to recover temporally and spectrally resolved soft x-ray flux from an array of K-edge filtered x-ray diodes without the need for a priori assumptions about the spectrum or the geometry of the emitting volume. The mathematics of the cubic spline interpolation is discussed in detail. The analytic nature of the cubic spline solution allows for analytical error propagation, and the method of calculating the error for radiation temperature, spectral power, and confidence intervals of the unfolded spectrally resolved flux is explained. An unfold of a blackbody model demonstrates the accuracy of the cubic spline unfold. Tests of cubic spline performance using spectrally convolved detailed atomic model simulation results have been performed to measure the method's ability to conserve spectral power to within a factor of 2 or better in line-dominated regimes. The unfold is also demonstrated to work when information from the x-ray diode array is limited due to high signal-to-noise ratios or lack of signal due to over-attenuation or over-filtration of the x-ray diode signal. Here, the robustness of the unfold with respect to background subtraction and raw signal processing, signal alignment between diode traces, limited signal information, and initial conditions is discussed. Results from an example analysis of a halfraum drive are presented to demonstrate the capabilities of the unfold in comparison with previously established methods.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

CR-39 nuclear track detector response to inertial confinement fusion relevant ions

The detection properties of CR-39 were investigated for protons, deuterons, and tritons of various energies. Two models for the relationship between the track diameter and particle energy are presented and demonstrated to match experimental data for all three species. Data demonstrate that CR-39 has 100% efficiency for protons between 1 MeV and 4 MeV, deuterons between 1 MeV and 12.2 MeV, and tritons between 1 MeV and 10 MeV. The true upper bounds for deuterons and tritons exceed what could be measured in data. Simulations were developed to further explore the properties of CR-39 and suggest that the diameter–energy relationship of alpha particles cannot be captured by the conventional c-parameter model. These findings provide confidence in CR-39 track diameter based spectroscopy of all three species and provide invaluable insight for designing filtering for all CR-39 based diagnostics.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Excited nucleon spectrum and structure studies with CLAS and CLAS12

The study of the spectrum and structure of excited nucleon states employing the electroproduction of exclusive reactions is an important avenue for exploring the nature of the non-perturbative strong interaction. The CLAS detector in Hall B has provided the dominant part of the available world data on most relevant meson electroproduction channels off the nucleon in the resonance region for Q2 up to 5 GeV2. Analyses of CLAS data for the exclusive channels πN, ηN, and π+π-p on a proton target have provided the only results available on the Q2 evolution of the electro-excitation amplitudes for the transitions from the initial photon-proton to the final N* states in the mass range up to W =1.8 GeV. These electrocouplings allow for exploration of the internal structure of the produced excited nucleon states. This work has made it clear that consistent results from independent analyses of several exclusive channels with different resonance hadronic decay parameters and non-resonant backgrounds but the same N* electro-excitation amplitudes, is essential to have confidence in the extracted results. Starting in early 2018, a program to study the spectrum and structure of N* states in various exclusive electroproduction channels using the new CLAS12 spectrometer commenced. These studies will probe the structure of N* states in the mass range up to W =3 GeV and for Q2 as low as 0.05 GeV2 and as high as 10-12 GeV2, thus providing a means to access N* structure information spanning a broad range of distance scales. Quasi-real photoproduction studies are also planned to search for additional N* states, the so-called hybrid baryons, for which the glue serves as an active structural component. In this talk the N* programs from both CLAS and CLAS12 will be reviewed.

Carman, D. S.↗
DOE OSTI2020

Multi-fidelity machine-learning with uncertainty quantification and Bayesian optimization for materials design: Application to ternary random alloys

We present a scale-bridging approach based on a multi-fidelity (MF) machine-learning (ML) framework leveraging Gaussian processes (GP) to fuse atomistic computational model predictions across multiple levels of fidelity. Through the posterior variance of the MFGP, our framework naturally enables uncertainty quantification, providing estimates of confidence in the predictions. We used density functional theory as high-fidelity prediction, while a ML interatomic potential is used as low-fidelity prediction. Practical materials’ design efficiency is demonstrated by reproducing the ternary composition dependence of a quantity of interest (bulk modulus) across the full aluminum–niobium–titanium ternary random alloy composition space. The MFGP is then coupled to a Bayesian optimization procedure, and the computational efficiency of this approach is demonstrated by performing an on-the-fly search for the global optimum of bulk modulus in the ternary composition space. The framework presented in this manuscript is the first application of MFGP to atomistic materials simulations fusing predictions between density functional theory and classical interatomic potential calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Strength of porous α-SiO 2 in a shock loaded environment: Calibration via Richtmyer–Meshkov instability and validation via Mach lens

The strength of brittle porous media is of concern in numerous applications, for example, earth penetration, crater formation, and blast loading. Thus, it is of importance to possess techniques that allow for constitutive model calibration within the laboratory setting. The goal of the current work is to demonstrate an experimental technique allowing for strength assessment of porous media subjected to shock loading, which can be implemented into pressure-dependent yield surfaces within numerical simulation schemes. As a case study, the deviatoric response of distended α-SiO 2 has been captured in a tamped Richtmyer–Meshkov instability (RMI) environment at a pressure regime of 4–10 GPa. Hydrocode simulations were used to interpret RMI experimental data, and a resulting pressure-dependent yield surface akin to the often employed modified Drucker–Prager model was calibrated. Simulations indicate that the resulting jet length generated by the RMI is sensitive to the porous media strength, thereby providing a feasible experimental platform capable of capturing the pressurized granular deviatoric response. Furthermore, in efforts to validate the RMI-calibrated strength model, a set of Mach-lens experiments was performed and simulated with the calibrated pressure-dependent yield surface. Excellent agreement between the resulting Mach-lens length in experiment and simulation provides additional confidence to the RMI yield-surface calibration scheme.

36 MATERIALS SCIENCE↗
DOE OSTI2021

3D simulations of vertical displacement events in tokamaks: A benchmark of M3D-C 1 , NIMROD, and JOREK

In recent years, the nonlinear 3D magnetohydrodynamic codes JOREK, M3D-C1, and NIMROD developed the capability of modeling realistic 3D vertical displacement events (VDEs) including resistive walls. In this paper, a comprehensive 3D VDE benchmark is presented between these state-of-the-art codes. The simulated case is based on an experimental NSTX plasma but with a simplified rectangular wall. There are differences between the physics models and numerical methods, and the VDE evolution leads to sensitivities on the initial conditions that cannot be avoided as can be done in edge localized modes (ELM) and sawtooth simulations (due to the non-cyclical nature of VDEs). Nonetheless, the comparison serves to quantify the level of agreement in the relevant quantities used to characterize disruptions, such as the 3D wall forces and energy decay. The results bring confidence regarding the use of the mentioned codes for disruption studies, and they distinguish aspects that are specific to the models used (e.g., reduced vs full MHD models). Here, the simulations show important 3D fea- tures for a NSTX plasma, such as the self-consistent evolution of the halo current and the origin of the wall forces. In contrast to other reduced MHD models based on an ordering in the aspect ratio, the ansatz-based JOREK reduced MHD model allows capturing many aspects of the 3D dynamics even in the spherical tokamak limit considered here.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Role of microtearing mode in DIII-D and future high- β p core plasmas

This paper provides modeling evidence for a new variant of microturbulence instability that regulates the electron thermal fluxes in the transport barrier region of DIII-D "high β p " discharges. This scenario is being investigated as a possible scenario for future steady-state reactors, and thus it is essential to understand the physics processes which govern its performance in order to confidently extrapolate to future devices. Additional analysis examining the extrapolation of this scenario to ITER shows that while the new microtearing mode identified here is unlikely to be unstable in that regime (due to increased temperatures and reduced collisionality), the large shift in magnetic axis (Shafranov shift) that arises in these plasmas may still favor stabilization of common ballooning instabilities which peak on the low field side, but destabilize electrostatic slab modes on the high field side.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Lessons from combined experimental and theoretical examination of the FTIR and 2D-IR spectroelectrochemistry of the amide I region of cytochrome c</em

Amide I difference spectroscopy is widely used to investigate protein function and structure changes. In this article, we show that the common approach of assigning features in amide I difference signals to distinct secondary structure elements in many cases may not be justified. Evidence comes from Fourier transform infrared (FTIR) and 2D-IR spectroelectrochemistry of the protein cytochrome c in the amide I range, in combination with computational spectroscopy based on molecular dynamics (MD) simulations. This combination reveals that each secondary structure unit, such as an alpha-helix or a beta-sheet, exhibits broad overlapping contributions, usually spanning a large part of the amide I region, which in the case of difference absorption experiments (such as in FTIR spectroelectrochemistry) may lead to intensity-compensating and even sign-changing contributions. We use cytochrome c as the test case, as this small electron-transferring redox-active protein contains different kinds of secondary structure units. Upon switching its redox-state, the protein exhibits a different charge distribution while largely retaining its structural scaffold. Our theoretical analysis suggests that the change in charge distribution contributes to the spectral changes and that structural changes are small. However, in order to confidently interpret FTIR amide I difference signals in cytochrome c and proteins in general, MD simulations in combination with additional experimental approaches such as isotope labeling, the insertion of infrared labels to selectively probe local structural elements will be required. In case these data are not available, a critical assessment of previous interpretations of protein amide I 1D- and 2D-IR difference spectroscopy data is warranted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗