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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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Simulations of particle interactions in a high-current RFQ

High-intensity beams of composite ions are susceptible to particle interactions that do not affect single ions, such as stripping of electrons and charge exchange. Beam dynamics simulation techniques used in accelerator design do not often include these particle interactions, and so the transmission of the real beam can be significantly different from the design simulations. We have modified the IMPACT-T code to include particle interactions as part of the beam dynamics simulations, including space-charge effects and beam losses. We have carried out validation simulations of interactions in a molecular hydrogen ion beam through an existing high-intensity deuteron RFQ design, as beam commissioning is often carried out using molecular hydrogen beams, to avoid deuteron-deuteron interactions in the accelerator leading to neutron activation. The new code framework successfully models the interactions within the beam, tracks the different source and product ions through the accelerator, and calculates the collective effects such as space charge from all particles together. Finally, we also discuss other simulation codes that could be modified to include similar interaction effects, and possible applications to other types of accelerators.

47 OTHER INSTRUMENTATION↗

Europa Clipper Preliminary Design Review Propellant Slosh Analysis

This presentation outlines the preliminary design review (PDR) propellant slosh analysis done for the Europa Clipper Mission. It provides sample results for both high acceleration pendulum-damper models and low acceleration pendulum-spring-damper models. The high acceleration pendulum-damper models were derived from STAR-CCM+ computational fluid dynamic (CFD) simulations and the low acceleration pendulum-spring-damper models were derived from Surface Evolver models.

slosh↗

Thermal Aging Phenomena in Cast Duplex Stainless Steels

Cast stainless steels (CASSs) have been extensively used for the large components of light water reactor (LWR) power plants such as primary coolant piping and pump casing. The thermal embrittlement of CASS components is one of the most serious concerns related to the extended-term operation of nuclear power plants. Many past researches have concluded that the formation of Cr–rich α'-phase by Spinodal decomposition of δ-ferrite phase is the primary mechanism for the thermal embrittlement. Cracking mechanism in the thermally-embrittled duplex stainless steels consists of the formation of cleavage at ferrite and its propagation via separation of ferrite-austenite interphase. This article intends to provide an introductory overview on the thermal aging phenomena in LWR relevant conditions. Firstly, the thermal aging effect on toughness is discussed in terms of the cause of embrittlement and influential parameters. An approximate analysis of thermal reaction using Arrhenius equation was carried out to scope the aging temperatures for the accelerated aging experiments to simulate the 60 and 80 years of services. Further, equilibrium precipitation calculation was performed for model CASS alloys using the CALPHAD program and the results are used to describe the precipitation behaviors in duplex stainless steels. These results are also to be used to guide an on-going research aiming to provide knowledge-based conclusive prediction for the integrity of the CASS components of LWR power plants during the service life extended up to and beyond 60 years.

Aging↗

Evaluation of positive G sub Z tolerance following simulated weightlessness (bedrest)

The magnitude of physiologic changes which are known to occur in human subjects exposed to varying levels of + G sub Z acceleration following bed rest simulation of weightlessness was studied. Bed rest effects were documented by fluid and electrolyte balance studies, maximal exercise capability, 70 deg passive tilt and lower body negative pressure tests and the ability to endure randomly prescribed acceleration profiles of +2G sub Z, +3G sub Z, and +4G sub Z. Six healthy male volunteers were studied during two weeks of bed rest after adequate control observations, followed by two weeks of recovery, followed by a second two-week period of bed rest at which time an Air Force cutaway anti-G suit was used to determine its effectiveness as a countermeasure for observed cardiovascular changes during acceleration. Results showed uniform and significant changes in all measured parameters as a consequence of bed rest including a reduced ability to tolerate +G sub Z acceleration. The use of anti-G suits significantly improved subject tolerance to all G exposures and returned measured parameters such as heart rate and blood pressure towards or to pre-bed-rest (control) values in four of the six cases.

Jacobson, L. B.↗

Computational and experimental investigation of plasma deflagration jets and detonation shocks in coaxial plasma accelerators

Here, we present a magnetohydrodynamic (MHD) numerical simulation to study the physical mechanisms underlying plasma acceleration in a coaxial plasma gun. Coaxial plasma accelerators are known to exhibit two distinct modes of operation depending on the delay between gas loading and capacitor discharging. Shorter delays lead to a high velocity plasma deflagration jet and longer delays produce detonation shocks. During a single operational cycle that typically consists of two discharge events, the plasma acceleration exhibits a behavior characterized by a mode transition from deflagration to detonation. The first of the discharge events, a deflagration that occurs when the discharge expands into an initially evacuated domain, requires a modification of the standard MHD algorithm to account for rarefied regions of the simulation domain. The conventional approach of using a low background density gas to mimic the vacuum background results in the formation of an artificial shock, inconsistent with the physics of free expansion. To this end, we present a plasma-vacuum interface tracking framework with the objective of predicting a physically consistent free expansion, devoid of the spurious shock obtained with the low background density approach. The interface tracking formulation is integrated within the MHD framework to simulate the plasma deflagration and the second discharge event, a plasma detonation, formed due to its initiation in a background prefilled with gas remnant from the deflagration. The mode transition behavior obtained in the simulations is qualitatively compared to that observed in the experiments using high framing rate Schlieren videography. The deflagration mode is further investigated to understand the jet formation process and the axial velocities obtained are compared against experimentally obtained deflagration plasma front velocities. The simulations are also used to provide insight into the conditions responsible for the generation and sustenance of the magnetic pinch. The pinch width and number density distribution are compared to experimentally obtained data to calibrate the inlet boundary conditions used to set up the plasma acceleration problem.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Theory and simulations of linear and nonlinear two-dimensional Rayleigh–Taylor dynamics with variable acceleration

Interfacial Rayleigh–Taylor mixing is crucial to describing important natural and engineering processes, such as exploding supernovae, laser micromachining, hot spots in inertial confinement fusion, and optical telecommunications. These require the characterization of the time dependence of the driving acceleration. We compare our theoretical formulation based on group theory foundations with interface-capturing numerical simulations for linear and nonlinear two-dimensional Rayleigh–Taylor instabilities in a finite-sized domain with time-varying acceleration over broad ranges of Atwood numbers and acceleration exponents. Detailed corroboration between theory and simulations is provided for this foundational case. Both demonstrate the strong interfacial nature of Rayleigh–Taylor instabilities, which suggests that practical flow fields can be reconstructed from the derived fluid potential using the proposed theory. A robust agreement is also obtained for the early and late-time evolution of the amplitudes of the bubble and spike, which demonstrate that the Rayleigh–Taylor flow can transition to the mixing regime even for a single-mode initial perturbation. Corroboration with experiments of high energy density plasmas motivated by studies of supernovae is also achieved. In addition, a long-standing puzzle in Rayleigh–Taylor dynamics on the interplay between the acceleration, the shear, and the interface morphology in the theory and simulations is resolved by accounting for finite viscosity of the fluids. The characterization of Rayleigh–Taylor instabilities as a highly interfacial phenomenon provides valuable insight into its multiscale nature, which enhances the design and understanding of numerous processes of practical interest.

42 ENGINEERING↗

Elucidating the temperature and density dependence of silver chloride hydration numbers in high-temperature water vapor: A first-principles molecular simulation study

Hydration numbers of metal complexes in low-density aqueous solutions are required for developing geochemical models for ore-forming metals and for designing supercritical desalination processes. In this study, we investigate the temperature and density dependence of the hydration numbers of silver chloride at 623 K, 673 K, and 713 K and densities of 10–100 kg/m 3 . Experimental estimates of the hydration number in the literature for AgCl at these conditions are inconclusive and possibly contradictory as to the temperature and density dependence. First-principles molecular simulation presents an attractive alternative to experimental measurements. Specifically, recent work shows that machine-learning-accelerated nested Monte Carlo simulations provide reliable estimates for the hydration numbers of CuCl at 623 K from 10 to 100 kg/m 3 . Using the same technique, we find a monotonic temperature dependence, with the hydration number decreasing slightly with increasing temperature. In addition, the simulation-predicted hydration numbers steadily increase with increasing density. These temperature and density trends are in agreement with certain experimental data sets. Therefore, this work demonstrates how first-principles Monte Carlo simulations assist in resolving discrepancies between experimental data sets. Our simulation results also correctly predict that the hydration number, and thus also the solubility, of AgCl is lower than that of CuCl under the same conditions. Furthermore, the bond length and angle formed between the water complex and AgCl differ from those for CuCl, consistent with the lower solubility of AgCl.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Zero-RK Acceleration of Low-Lifecycle-Carbon Fuel (LLCF) Simulations

Designing modern combustion systems now relies on computer models that predict how changes in design will affect performance. These models have replaced older methods that relied on the designer's intuition or costly and time-consuming physical testing. By using improved models, design cycles can be shortened, and cleaner and more efficient combustion devices can be created. This project aims to improve computer simulations of low-lifecycle-carbon fuels (LLCFs) with the goal of making these simulations faster and more accurate for predicting combustion in vehicles.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Accelerating Our Understanding of Supernova Explosion Mechanism via Simulations and Visualizations with GenASiS

Core-collapse supernovae are among the most powerful explosions in the Universe, releasing about 1053 erg of energy on timescales of a few tens of seconds. These explosion events are also responsible for the production and dissemination of most of the heavy elements, making life as we know it possible. Yet exactly how they work is still unresolved. One reason for this is the sheer complexity and cost of a self-consistent, multi-physics, and multi-dimensional core-collapse supernova simulation, which is impractical, and often impossible, even on the largest supercomputers we have available today. To advance our understanding we instead must often use simplified models, teasing out the most important ingredients for successful explosions, while helping us to interpret results from higher fidelity multi-physics models. In this paper we investigate the role of instabilities in the core-collapse supernova environment. We present here simulation and visualization results produced by our code GenASiS.

Budiardja, R. D.↗