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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 307 records · Page 17

A comprehensive simulation framework for imaging single particles and biomolecules at the European X-ray Free-Electron Laser

The advent of newer, brighter, and more coherent X-ray sources, such as X-ray Free-Electron Lasers (XFELs), represents a tremendous growth in the potential to apply coherent X-rays to determine the structure of materials from the micron-scale down to the Angstrom-scale. There is a significant need for a multi-physics simulation framework to perform source-to-detector simulations for a single particle imaging experiment, including (i) the multidimensional simulation of the X-ray source; (ii) simulation of the wave-optics propagation of the coherent XFEL beams; (iii) atomistic modelling of photon-material interactions; (iv) simulation of the time-dependent diffraction process, including incoherent scattering; (v) assembling noisy and incomplete diffraction intensities into a three-dimensional data set using the Expansion-Maximisation-Compression (EMC) algorithm and (vi) phase retrieval to obtain structural information. Furthermore, we demonstrate the framework by simulating a single-particle experiment for a nitrogenase iron protein using parameters of the SPB/SFX instrument of the European XFEL. This exercise demonstrably yields interpretable consequences for structure determination that are crucial yet currently unavailable for experiment design.

42 ENGINEERING↗

Statistical Modeling for Radiation Hardness Assurance

We cover the models and statistics associated with single event effects (and total ionizing dose), why we need them, and how to use them: What models are used, what errors exist in real test data, and what the model allows us to say about the DUT will be discussed. In addition, how to use other sources of data such as historical, heritage, and similar part and how to apply experience, physics, and expert opinion to the analysis will be covered. Also included will be concepts of Bayesian statistics, data fitting, and bounding rates.

Hardness Assurance↗

MULTIPHYSICS-MODELING OF FIRE-INDUCED URANIUM AEROSOL FORMATION – A-POSTERIORI BENCHMARKING OF EXPERIMENTS

The formulation and solution of a model that properly described the temperature profiles of uranium in fire conditions was prepared, verified and validated, to support a-posteriori benchmarking of historical experiments. Data from the multi-physics model combined with data regression from the experiments provides a useful tool for exploring sources of potential bias in historical experiments. The approaches used are augmented by visual observations and photographic evidence allowing for correlations between various phenomena, independent of whether or not that specific phenomena are part of the validated model. In this manner, the validated model is a tool for a-posteriori benchmarking, and not a model designed to replicate the experimental output exactly for any specific experiment. For experiments like the Clark (2015) experiments, this integrated model (including chemistry) demonstrated that the largest bias was associated in the metallurgy of the coupons. The model developed does serve as a basis for defending which of the historical alloys tested are the most appropriate for any other alloy being considered (e.g., one that has not yet been tested). The model identifies key reactions that impact uranium chemistry and can significantly bias experimental results. Through use of the model and energy balances, data from historical experiments by Elder and Tinkle (1980) were regressed and benchmarked. This study identifies that all uranium alloys are not equal and that there are distinct differences between the dominant alloys representing distinct metallurgical phases.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Measurement Of The Total Cross-Section Of Muon Neutrino Charged-Current Coherent Pion Production in NOvA Near Detector

Charged Current (CC) coherent neutrino-nucleus pion production is characterized by small momentum transferred to the nucleus, which is left in its ground state. Despite the relatively large uncertainties on the production cross-section, coherent production of mesons by neutrinos represents an important process, as it can shed light on the structure of the weak current and can also constitute a potential source of background for modern neutrino oscillation experiments and searches for Beyond Standard Model (BSM) physics. This Ph.D. thesis presents a new measurement of CC coherent pion production in the NOvA near detector at the Fermi National Accelerator Laboratory (Fermilab). The analysis is based on the use of both particle identification and kinematic selection criteria based on Convolutional Neural Networks (CNN) to achieve a selection purity of 60%. Given the energy range 1-5 GeV accessible with the available NOvA exposure in the NuMI beam, the results will also be relevant for f uture neutrino experiments like the Deep Underground Neutrino Experiment (DUNE).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Monte Carlo calculation and verification of the geometrical factors for the NPDGamma experiment

The NPDGamma experiment measures the parity-violating asymmetry in gamma-ray emission in the capture of polarized neutrons on liquid parahydrogen. The sensitivity to the asymmetry for each detector in the array is used as a parameter in the extraction of the physics asymmetry from the measured data. The detector array is approximately cylindrically symmetric around the target and a step-wise sinusoidal function has been used for the sensitivity in the previous iteration of the NPDGamma experiment, but deviations from cylindrical symmetry necessitate the use of a Monte Carlo model to determine corrections to the geometrical factors. For the calculations, source code modifications to MCNPX were done in order to calculate the sensitivity of each cesium iodide detector to the physics asymmetry. We describe the MCNPX model and results from calculations and how the results are validated through measurement of the parity violating asymmetry of gamma-rays from neutron capture on chlorine.

Grammer, K. B.↗

Numerical Investigation of Spark Ignition Events in Lean and Dilute Methane/Air Mixtures using a Detailed Energy Deposition Model

It is beneficial but challenging to operate spark-ignition engines under highly lean and dilute conditions. The unstable ignition behavior can result in downgraded combustion performance in engine cylinders. Numerical approach is serving as a promising tool to identify the ignition requirements by providing insight into the complex physical/chemical phenomena. An effort to simulate the early stage of flame kernel initiation in lean and dilute fuel/air mixture has been made and discussed in this paper. The simulations are set to validate against laboratory results of spark ignition behavior in a constant volume combustion vessel. In order to present a practical as well as comprehensive ignition model, the simulations are performed by taking into consideration the discharge circuit analysis, the detailed reaction mechanism, and local heat transfer between the flame kernel and spark plug. The energy profile and the energy source geometry are investigated in detail to represent the physics of electrical discharge. It was observed in the experiments that a sufficiently high ambient pressure is necessary for a successful ignition event in the lean and dilute mixture when the spark plug gap size and primary energy input are held constant. By adopting realistic energy levels, this detailed energy deposition model showed the capability to reasonably present such ignition behavior transition. The unique combination of energy deposition profile and geometry reveals the complexity of electrical discharge during the spark ignition event. The response of the combustible gas to the energy deposition showed dependency on the volumetric energy density, energy source’s surface area, temperature gradient at the energy source boundary, as well as the heat transfer condition local to the flame kernel.

Zhang, Anqi↗

Astrophysical Neutrino Sources as Colliders

High-energy neutrinos arise from processes at large center-of-mass energies, offering a window to test physics at comparable scales or beyond those accessible in collider experiments on Earth. Here, we present a recipe for extracting two-sided bounds on the inelastic $pp$ and $pγ$ cross sections from neutrino point-source data, by independently constraining every astrophysical input (cosmic-ray luminosities and target densities) through electromagnetic observations or theoretical arguments. The cross section is then the only remaining free parameter. Applying this framework to the IceCube associations with TXS~0506+056, NGC~1068, and the Galactic Plane, to a stacked population of eleven X-ray bright Seyfert galaxies, to the ultra-high-energy KM3NeT event KM3-230213A, and to projected observations of ultra-high-energy neutrinos, we obtain constraints that span center-of-mass energies from $\sqrt{s}\sim 1$ GeV to $\sim 10^{5}$ GeV, some of which are well beyond the reach of the LHC and, for the $pγ$ channel, beyond HERA. Several of these bounds are more stringent than unitarity limits.

Argüelles, Carlos A. [Harvard U.]↗

Advances in laser-based bremsstrahlung x-ray sources. I. Optimizing laser-accelerated electrons

In this work, we have performed a suite of kinetic simulations of relativistic laser–plasma interaction under settings relevant to recent and planned experiments on a variety of laser systems. The goal of the study is to illuminate the physics of laser–target coupling and to provide guidance for how to optimize these sources for applications. It is shown that the production of relativistic electrons is maximized when conditions of relativistic induced transparency (RIT) in dense plasmas can be achieved over a large interaction volume at the time of arrival of most intense part of the laser pulse. RIT is shown to enhance both the numbers of relativistic electrons and the energies of the electrons, leading to an increased x-ray dose. A variety of approaches to enhancing laser–target coupling are considered. These include optimizing the effects of low-density pre-plasma (arising either from finite laser pedestal or from the use of foam coatings) and of modifying the laser focusing geometry to reduce effects of filamentation and self-focusing. Evidence of a novel approach to achieving stable laser propagation over distances of tens of micrometers in a plasma gradient is also presented. These conditions coincide with plasma and laser conditions explored in recent experiments on the Omega EP laser system and compare favorably with an analytic criterion for stable laser propagation in relativistically underdense plasma obtained from a nonlinear Wentzel–Kramers–Brillouin analysis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Future short baseline neutrino searches with nuclear decays

Several anomalies coming from neutrino experiments may be pointing towards new physics: these hints suggest the existence of one (or more) sterile neutrinos. We discuss some of the experiments proposed to verify (or disproof) this hypothesis by using an intense radioactive source in proximity of large neutrino detectors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Demonstration of x-ray fluorescence spectroscopy as a sensitive temperature diagnostic for high-energy-density physics experiments

We present the use of x-ray fluorescence spectroscopy (XFS) to a sensitive temperature diagnostic in shocked foams at temperatures of 30–75 eV. Cobalt-doped foams were shock compressed using a planar drive at the OMEGA laser facility and photo-pumped with a Zn He⁢𝛼 x-ray source. Analysis of the resulting cobalt 𝐾⁢𝛽 x-ray fluorescence spectra using collisional radiative codes allows the temperature to be determined in the shocked foams. Furthermore, this method provides a sensitive and robust technique to determine temperatures in high-energy-density physics experiments in the tens of electronvolts temperature range. In these experiments, we find that radiation hydrodynamic simulations predict a lower temperature in the shocked foams compared to analysis of the XFS data using collisional radiative models. Although additional experiments with an independent temperature diagnostic to absolutely calibrate XFS spectra for these conditions will be required to resolve this discrepancy, these results demonstrate the excellent temperature sensitivity of XFS spectra for high-energy-density physics experiments.

Atomic spectra↗

Sources of gravitational radiation; Proceedings of the Workshop, Seattle, Wash., July 24-August 4, 1978

Topics discussed are gravitational wave detection experiments, the theoretical foundations of gravitational wave physics, black holes, and neutron stars. Particular consideration is given to methods for circumventing the quantum limit for gravitational wave detectors, global problems in numerical relativity, massive black holes and gravitational radiation, the role of binaries in gravitational wave production, and astrophysical sources of gravitational radiation.

Smarr, L. L.↗

Industrial ion source technology

An analytical model was developed to describe the development of a coned surface texture with ion bombardment and simultaneous deposition of an impurity. A mathematical model of sputter deposition rate from a beveled target was developed in conjuction with the texturing models to provide an important input to that model. The establishment of a general procedure that will allow the treatment of manay different sputtering configurations is outlined. Calculation of cross sections for energetic binary collisions was extened to Ar, Kr.. and Xe with total cross sections for viscosity and diffusion calculated for the interaction energy range from leV to 1000eV. Physical sputtering and reactive ion etching experiments provided experimental data on the operating limits of a broad beam ion source using CF4 as a working gas to produce reactive species in a sputtering beam. Magnetic clustering effects are observed when Al is seeded with Fe and sputtered with Ar(?) ions. Silicon was textured at a micron scale by using a substrate temperature of 600 C.

Kaufman, H. R.↗

The noise and flow characteristics of inverted-profile coannular jets

A basic understanding of the noise reduction mechanisms in shock-free inverted-velocity-profile coannular jets was studied. Acoustic measurements are first conducted in an anechoic facility to isolate the effects of inverted velocity and inverted temperature for coannular jets having constant total thrust, mass flow rate and exit area. To obtain physical explanations of the measured noise changes, several types of experiments are conducted. These include (1) source location experiments using the polar correlation technique, (2) mean flow surveys using a combination pressure/temperature probe, and (3) detailed mean flow and turbulence measurements using a two-point four-channel laser velocimeter. The results from these experiments are presented and discussed in detail. Finally, the measured variations of coannular jet mixing noise with fan-to-primary velocity ratio and static temperature ratio are interpreted by utilizing the results from the various experimental phases in conjunction with the existing Lockheed single jet noise prediction model.

Tanna, H. K.↗

Modeling the Drying of a Mock Used Fuel Assembly with COBRA-SFS Cycle-4 - 18597

The processing and storage of nuclear fuel is an ever increasingly pressing issue. Around 70,000 tons of used fuel are currently in either dry or wet storage on site at nuclear power plants or at specified spent fuel storage facilities. Additionally, about 2,000 tons are added to that sum each year. To promote retrievability, limit degradation in the canister, and reduce potential for hydrogen generation, spent fuel that is initially in wet storage must be dried before moving to dry cask storage. Therefore, this research seeks to use a mock used fuel storage cask to replicate the conditions in the industry during the drying process of fuel being moved from storage pools. To simulate this, a mock storage cask has been constructed to closely resemble those used in industry such that any areas that tend to retain water are replicated effectively. It is able to hold one mock used fuel assembly. The assembly used is an AREVA 10A 10 x 10 assembly with 78 rods filled with depleted uranium, 12 heater rods to simulate decay heat, a 3 x 3 BWR water channel, and one interchangeable rod position for tests such as a simulated failed fuel rod, BWR water rod, and PWR guide tube tests. The industry standard procedure is used in drying the assembly which involves stepping the system pressure down and holding for certain periods until reaching 3 torr and holding for 30 minutes. This is believed to sufficiently dry the assembly. The goal is to record data throughout these tests that can provide the industry with a greater understanding of how well the process works. This data will also be used to develop and validate a computer model of the drying process. Mechanistic models are currently under development. Reduced order models are being investigated for incorporation into current related engineering codes such as COBRA-SFS. COBRA-SFS is a member of the COBRA family of codes which is mainly used in the evaluation of thermal hydraulic systems containing spent nuclear fuel. However, it does not currently have the capability to account for processes such as evaporation encountered during drying operations. Therefore, those physical models are to be added to the source code. At present a model of the experiment has been created using the COBRA-SFS Cycle-4 code. A number of steady state models along with transient models have been developed and presented. Each of these yield valuable results for comparison with the experiments conducted. In addition to comparison with experimental results, the data collected from COBRA-SFS is compared with that which has been generated from other computer models which utilize computational fluid dynamics. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Efficient end-to-end simulation of time-dependent coherent X-ray scattering experiments

Physical optics simulations for beamlines and experiments allow users to test experiment feasibility and optimize beamline settings ahead of beam time in order to optimize valuable beam time at synchrotron light sources like NSLS-II. Further, such simulations also help to develop and test experimental data processing methods and software in advance. The Synchrotron Radiation Workshop ( SRW ) software package supports such complex simulations. We demonstrate how recent developments in SRW significantly improve the efficiency of physical optics simulations, such as end-to-end simulations of time-dependent X-ray photon correlation spectroscopy experiments with partially coherent undulator radiation (UR). The molecular dynamics simulation code LAMMPS was chosen to model the sample: a solution of silica nanoparticles in water at room temperature. Real-space distributions of nanoparticles produced by LAMMPS were imported into SRW and used to simulate scattering patterns of partially coherent hard X-ray UR from such a sample at the detector. The partially coherent UR illuminating the sample can be represented by a set of orthogonal coherent modes obtained by simulation of emission and propagation of this radiation through the coherent hard X-ray (CHX) scattering beamline followed by a coherent-mode decomposition. GPU acceleration is added for several key functions of SRW used in propagation from sample to detector, further improving the speed of the calculations. The accuracy of this simulation is benchmarked by comparison with experimental data.

36 MATERIALS SCIENCE↗

Physics Opportunities in the ORNL Spallation Neutron Source Second Target Station Era

The Oak Ridge National Laboratory (ORNL) Spallation Neutron Source (SNS) First Target Station (FTS), used by the COHERENT experiment, provides an intense and extremely high-quality source of pulsed stopped-pion neutrinos, with energies up to about 50 MeV. Upgrades to the SNS are planned, including a Second Target Station (STS), which will approximately double the expected neutrino flux while maintaining quality similar to the FTS source. Furthermore, additional space for ten-tonne scale detectors may be available. We describe here exciting opportunities for neutrino physics, other particle and nuclear physics, and detector development using the FTS and STS neutrino sources.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Probing Complexity using the Linac Coherent Light Source (LCLS) and the Advanced Light Source (ALS)

The goal of our research program is to investigate fundamental interactions between photons and molecular/nano-systems to advance our quantitative understanding of electron correlations, charge transfer and many body phenomena. Our research projects focus on probing, on a femtosecond time-scale, multi-electron interactions and tracing nuclear motion in order to understand, and ultimately control energy flow and charge transfer processes from electromagnetic radiation to matter. The experiments will be carried out with state of the art instrumentation built by the P.I. team with funds from a DoE "Single Investigator and Small Group Research" (SISGR) grant. The research projects carried out the past three years consisted of first experiments using the Linac Coherent Light Source (LCLS) x-ray free electron laser (FEL) facility at the SLAC National Laboratory, as well as the study of correlated processes in select anions using the Advanced Light Source (ALS). A report for the past cycle is described in section II. These studies have paved the way for our renewal application for the next three years. Our research interests for the next three years extend our past and present research by carrying out time-resolved measurements described in section III. They will consist of: a) The study of molecular dynamics that happen on ultrafast time scales, using pump-probe schemes and the study of non-linear physics in the x-ray regime via multi-photon absorption from the LCLS. This will be achieved by measuring and examining both electronic and nuclear dynamics subsequent to the interaction of molecules and nano-systems with LCLS pulses of various wavelength, intensity and pulse duration as described in section III.A. b) The study of molecular dynamics and correlated processes via absorption of vuv-soft x-rays from the Advanced Light Source (ALS) at Lawrence Berkeley Laboratory to provide single-photon ionization baseline results for LCLS studies. In addition, we will study the photodetachment of anions using the ALS as described in section III. B. The PI has an ALS approved program (AP) thus has guaranteed beamtime. Our research underpins several aspects of the DOE mission since our investigations of the formation and evolution of energized states in molecules and nanostructures provides a fundamental basis for understanding elementary processes in solar energy conversion and radiation-induced chemistry. Most of our work is carried out in a strong partnership with theorists. Our proposed work falls in the class of research reported to be timely and necessary by the 2013 DoE Basic Energy Sciences Advisory Committee (BESAC) Subcommittee report on Future X-ray Light Sources. Specifically, our proposed experiments fall in the category labeled class II, “Spectroscopy and Dynamics with FELs”.

74 ATOMIC AND MOLECULAR PHYSICS↗