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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A Metal-on-Metal Growth Approach to Metal–Metal Oxide Core–Shell Nanostructures with Plasmonic Properties

Hybrid core–shell nanoparticles integrate the material properties from individual components; however, the synthesis of core–shell nanoparticles with dissimilar materials remains challenging. Herein, we applied a metal-on-metal thin film growth approach to control the conformal deposition of non-precious metal shells on the Cu-based metal cores to form core–shell structures of metal–metal oxide hybrids (M–M'O x , where M = AuCu 3 or Cu, M' = Fe, Mn, and Ni). The deposition kinetics were controlled by a temperature-regulated thermal decomposition of zerovalent transition metal complexes. It is predicted that the conformal deposition can be promoted by keeping the initial deposition temperature close to the thermal decomposition temperature of the zerovalent precursors. The mechanisms of strain reduction and interdiffusion facilitate conformal deposition over island growth in the synthesis with slow reaction kinetics. This study provides insightful guidance to metal-on-metal growth in solution at the nanoscale and thus the seed-mediated approach to hybrid core–shell structures. The optical properties of these metal–metal oxide hybrids were investigated experimentally and interpreted by theoretical simulations. Despite damping effects, the plasmonic properties of these Cu-based core-metal oxide shell structures may have the potential to enable plasmon-enhanced applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Reverse Current Model for Coronal Mass Ejection Cavity Formation

In this work, we present a new model for explaining the three-part structure of coronal mass ejections (CMEs). The model proposes that the cavity in a CME forms because a rising electric current in the core prominence induces an oppositely directed electric current in the background plasma; this eddy current is required to satisfy the frozen-in magnetic flux condition in the background plasma. The magnetic force between the inner-core electric current and the oppositely directed induced eddy current propels the background plasma away from the core, creating a cavity and a density pileup at the cavity edge. The cavity radius saturates when an inward restoring force from magnetic and hydrodynamic pressure in the region outside the cavity edge balances the outward magnetic force. The model is supported by (i) laboratory experiments showing the development of a cavity as a result of the repulsion of an induced reverse current by a rising inner-core flux-rope current, (ii) 3D numerical magnetohydrodynamic (MHD) simulations that reproduce the laboratory experiments in quantitative detail, and (iii) an analytic model that describes cavity formation as a result of the plasma containing the induced reverse current being repelled from the inner core. This analytic model offers broad applicability because the predicted cavity widths are relatively independent of both the current injection mechanism and the injection timescale.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2007

Quantitative Technique for Comparing Simulant Materials through Figures of Merit

The 1989 workshop report entitled Workshop on Production and Uses of Simulated Lunar Materials and the Lunar Regolith Simulant Materials: Recommendations for Standardization, Production, and Usage, NASA Technical Publication both identified and reinforced a need for a set of standards and requirements for the production and usage of the Lunar simulant materials. As NASA prepares to return to the Moon, and set out to Mars, a set of early requirements have been developed for simulant materials and the initial methods to produce and measure those simulants have been defined. Addressed in the requirements document are: 1) a method for evaluating the quality of any simulant of a regolith, 2) the minimum characteristics for simulants of Lunar regolith, and 3) a method to produce simulants needed for NASA's Exploration mission. As an extension of the requirements document a method to evaluate new and current simulants has been rigorously defined through the mathematics of Figures of Merit (FoM). Requirements and techniques have been developed that allow the simulant provider to compare their product to a standard reference material through Figures of Merit. Standard reference material may be physical material such as the Apollo core samples or material properties predicted for any landing site. The simulant provider is not restricted to providing a single "high fidelity" simulant, which may be costly to produce. The provider can now develop "lower fidelity" simulants for engineering applications such as drilling and mobility applications.

Rickman, Doug↗
DOE OSTI2022

Assembly of polyelectrolyte star block copolymers at the oil–water interface

To understand and resolve adsorption, reconfiguration, and equilibrium conformations of charged star copolymers, we carried out an integrated experimental and coarse-grained molecular dynamics simulation study of the assembly process at the oil–water interface. This is important to guide development of novel surfactants or amphiphiles for chemical transformations and separations. The star block copolymer consisted of arms that are comprised of hydrophilic–hydrophobic block copolymers that are covalently tethered via the hydrophobic blocks to one point. The hydrophobic core represents polystyrene (PS) chains, while the hydrophilic corona represents quaternized poly(2-vinylpyridine) (P2VP) chains. The P2VP is modeled to become protonated when in contact with an acidic aqueous phase, thereby massively increasing the hydrophilicity of this block, and changing the nature of the star at the oil–water interface. This results in a configurational change whereby the chains comprising the hydrophilic corona are significantly stretched into the aqueous phase, while the hydrophobic core remains solubilized in the oil phase. In the simulations, we followed the kinetics of the anchoring and assembly of the star block copolymer at the interface, monitoring the lateral assembly, and the subsequent reconfiguration of the star via changes in the interfacial tension that varies as the degree-of-protonation increases. At low fractions of protonation, the arm cannot fully partition into the aqueous side of the interface and instead interacts with other arms in the oil phase forming a network near the interface. These insights were used to interpret the non-monotonic dependence of pH with the asymptotic interfacial tension from pendant drop tensiometry experiments and spectral signatures of aromatic stretches seen in vibrational sum frequency generation (SFG) spectroscopy. We describe the relationship of interfacial tension to the star assembly via the Frumkin isotherm, which phenomenologically describes anti-cooperativity in adsorbing stars to the interface due to crowding. Although our model explicitly considers long-range electrostatics, the contribution of electrostatics to interfacial tension is small and brought about by strong counterion condensation at the interface. Finally, these results provide key insights into resolving the adsorption, reconfiguration, and equilibrium conformations of charged star block copolymers as surfactants.

36 MATERIALS SCIENCE↗
DOE OSTI2017

A model of energetic ion effects on pressure driven tearing modes in tokamaks

Here, the effects that energetic trapped ions have on linear resistive magnetohydrodynamic (MHD) instabilities are studied in a reduced model that captures the essential physics driving or damping the modes through variations in the magnetic shear. The drift-kinetic orbital interaction of a slowing down distribution of trapped energetic ions with a resistive MHD instability is integrated to a scalar contribution to the perturbed pressure, and entered into an asymptotic matching formalism for the resistive MHD dispersion relation. Toroidal magnetic field line curvature is included to model trapping in the particle distribution, in an otherwise cylindrical model. The focus is on a configuration that is driven unstable to the m/n = 2/1 mode by increasing pressure, where m is the poloidal mode number and n is the toroidal. The particles and pressure can affect the mode both in the core region where there can be low and reversed shear and outside the resonant surface in significant positive shear. The results show that the energetic ions damp and stabilize the mode when orbiting in significant positive shear, increasing the marginal stability boundary. However, the inner core region contribution with low and reversed shear can drive the mode unstable. This effect of shear on the energetic ion pressure contribution is found to be consistent with the literature. These results explain the observation that the 2/1 mode was found to be damped and stabilized by energetic ions in delta δf-MHD simulations of tokamak experiments with positive shear throughout, while the 2/1 mode was found to be driven unstable in simulations of experiments with weakly reversed shear in the core. This is also found to be consistent with related experimental observations of the stability of the 2/1 mode changing significantly with core shear.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Implications for Post-processing Nucleosynthesis of Core-collapse Supernova Models with Lagrangian Particles

We investigate core-collapse supernova (CCSN) nucleosynthesis with self-consistent, axisymmetric (2D) simulations performed using the neutrino hydrodynamics code Chimera. Computational costs have traditionally constrained the evolution of the nuclear composition within multidimensional CCSN models to, at best, a 14-species α-network capable of tracking only (α,γ) reactions from {sup 4}He to {sup 60}Zn. Such a simplified network limits the ability to accurately evolve detailed composition and neutronization or calculate the nuclear energy generation rate. Lagrangian tracer particles are commonly used to extend the nuclear network evolution by incorporating more realistic networks into post-processing nucleosynthesis calculations. However, limitations such as poor spatial resolution of the tracer particles; inconsistent thermodynamic evolution, including misestimation of expansion timescales; and uncertain determination of the multidimensional mass cut at the end of the simulation impose uncertainties inherent to this approach. We present a detailed analysis of the impact of such uncertainties for four self-consistent axisymmetric CCSN models initiated from solar-metallicity, nonrotating progenitors of 12, 15, 20, and 25 M{sub ⊙} and evolved with the smaller α-network to more than 1 s after the launch of an explosion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Differentiable Multiphysics Codes: A Breakthrough Technology for Simulation and Computing

This document summarizes the findings of a strategic planning exercise commissioned by the Weapons Simulation and Computing, Computational Physics (WSC/CP) program at the Lawrence Livermore National Laboratory (LLNL) in FY24. During the year, the committee met with multiple stakeholder communities to gather input, opinions, suggestions and concerns which have been incorporated throughout this document. The key findings from this exercise are summarized: • The development of multiphysics modelling and simulation (mod/sim) codes and software technologies, their deployment on exascale compute platforms, and their broad adoption across the NNSA is a major success of the Advanced Simulation and Computing (ASC) program and the Exascale Computing Project (ECP). Sustained investment in these core technologies is essential. • Today’s state of the art involves running ensembles of O(100K) simulations to perform uncertainty quantification (UQ) and design studies using multiple statistical methods such as Bayesian optimization to understand sensitivities of our models and explore parameterized design spaces. Even with exascale computing, we are practically limited to O(10) parameters in these studies since the number of simulations required to sample the space scales exponentially with the number of design parameters. • The data from these simulation ensembles is increasingly being used to train machine learned (ML) surrogates (or reduced order models, ROMs) which can then be used for optimization or real time design exploration. However, the trained surrogates are still limited in the number of parameters they can represent due to the sampling limitations previously noted. • Augmenting our suite of integrated multiphysics simulation codes, both current and emerging, with the ability to compute gradients (solution derivatives) of arbitrary simulation outputs with respect to (some or all) simulation inputs would be a breakthrough technology, opening the door to a new era of efficient and automated inverse design based on verified and validated mod/sim capabilities. • This capability, which we refer to as differentiable multiphysics codes (DMCs), would revolutionize both UQ and optimization studies by breaking the curse of dimensionality that presently limits our “gradient-free” ensemble based computing approach. A similar breakthrough occurred in the AI/ML community once the ability to compute gradients of arbitrary loss functions using back-propagation became commonplace. Gradient information from the multiphysics codes can also be used to dramatically improve the efficiency and scale of training of ML/ROM surrogates for rapid assessments. • Achieving this in our suite of codes will be a grand challenge, similar to the amount of effort that was required to transition from CPU to GPU computing. It will require buy-in from the entire WSC/CP program and beyond, including all integrated codes, physics and engineering models, third-party library dependencies and performance portability abstractions. It will also require investment in research and development of numerical methods for computing adjoints of coupled physics across multiple adaptively refined moving meshes and of stochastic (Monte Carlo) and mesh free (SPH) methods. • New software and numerical techniques, largely pioneered by the AI/ML community, make this feasible. Chief among these is automatic differentiation (AD), the ability to employ AD at point-wise locations in a physics calculation (instead of traditional black-box approaches) and the ability to perform “back-propagation in time” (or reverse mode AD) for non-linear partial differential equations (PDEs). Fundamentally, the conclusion of this strategic planning exercise is that the time is right to undertake a large scale effort in WSC, centered on the existing integrated codes, to continue the natural evolution of mod/sim in the age of AI/ML. Instead of attempting to replace mod/sim with purely data driven AI/ML models, we believe the key to success is to integrate AI/ML by building on top of the decades of hard-won knowledge and the verified/validated multiphysics modelling capability that is the hallmark of the ASC program.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Principles of Product Quality Control of German Radioactive Waste Forms from the Reprocessing of Spent Fuel: Vitrification, Compaction and Numerical Simulation - 12529

The German product quality control is inter alia responsible for control of two radioactive waste forms of heat generating waste: a) homogeneous vitrified HLW and b) heterogeneous compacted hulls, end-pieces and technological metallic waste. In either case, significantly different metrology is employed at the site of the conditioning plant for the obligatory nuclide inventory declaration. To facilitate an independent evaluation and checking of the accompanying documentation numerical simulations are carried out. The physical and chemical properties of radioactive waste residues are used to assess the data consistency and uncertainty margins, as well as to predict the long-term behavior of the radioactive waste. This is relevant for repository acceptance and safety considerations. Our new numerical approach follows a bottom-up simulation starting from the burn-up behavior of the fuel elements in the reactor core. The output of these burn-up calculations is then coupled with a program that simulates the material separation in the subsequent dissolution and extraction processes normalized to the mass balance. Follow-up simulations of the separated reprocessing lines of a) the vitrification of highly-active liquid and b) the compaction of residual intermediate-active metallic hulls remaining after fuel pellets dissolution, end-pieces and technological waste, allows calculating expectation values for the various repository relevant properties of either waste stream. The principles of the German product quality control of radioactive waste residues from the spent fuel reprocessing have been introduced and explained. Namely, heat generating homogeneous vitrified HLW and heterogeneous compacted metallic MLW have been discussed. The advantages of a complementary numerical property simulation have been made clear and examples of benefits are presented. We have compiled a new program suite to calculate the physical and radio-chemical properties of common nuclear waste residues. The immediate benefit is the independent assessment of radio-active inventory declarations and much facilitated product quality control of waste residues that need to be returned to Germany and submitted to a German HLW-repository requirements. Wherever possible, internationally accepted standard programs are used and embedded. The innovative coupling of burn-up calculations (SCALE) with neutron and gamma transport codes (MCPN-X) allows an application in the world of virtual waste properties. If-then-else scenarios of hypothetical waste material compositions and distributions provide valuable information of long term nuclide property propagation under repository conditions over a very long time span. Benchmarking the program with real residue data demonstrates the power and remarkable accuracy of this numerical approach, boosting the reliability of the confidence aforementioned numerous applications, namely the proof tool set for on-the-spot production quality checking and data evaluation and independent verification. Moreover, using the numerical bottom-up approach helps to avoid the accumulation of fake activities that may gradually build up in a repository from the so-called conservative or penalizing nuclide inventory declarations. The radioactive waste properties and the hydrolytic and chemical stability can be predicted. The interaction with invasive chemicals can be assessed and propagation scenarios can be developed from reliable and sound data and HLW properties. Hence, the appropriate design of a future HLW repository can be based upon predictable and quality assured waste characteristics. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Modelling of ultrasonic propagation in turbulent liquid sodium with temperature gradient

The use of ultrasonic instrumentation in sodium-cooled fast reactors requires to understand and to predict how ultrasonic waves can be deflected, slowed down or speeded up, depending on the thermo-hydraulic characteristics of the liquid sodium. These thermo-hydraulic characteristics are mainly the local temperature and flow speed of the sodium. In this study we show that ray theory can be used to simulate ultrasonic propagation in a medium similar to the core of a sodium-cooled fast reactor, in order to study ultrasonic instrumentation and prepare it installation and utilisation in the sodium of the nuclear reactor. A suitable model has been developed and a set of thermo-hydraulics data has been created, taking account of the particularities of the sodium flow. The results of these simulations are then analysed within the framework of acoustic thermometry, in order to determine which disturbance must be taken into account for the correct operation of the temperature measurement.

42 ENGINEERING↗
DOE OSTI2014

Three-dimensional simulation of a rotating supernova

We investigate the effects of rotation on the evolution of core-collapse supernova explosion using a 15 solar mass progenitor model with a variety of neutrino luminosity and rotational velocity. Stars should have some amount of angular momentum, which would affect stellar evolution and its final explosion. In this paper we focus on the effect of rotation on gravitational collapse of a core, on a core bounce of accreting matter, and on subsequent generation and evolution of a shock wave. We find that the rotation plays a positive role for supernova explosions. More rapidly rotating models present more rapid expansion of the shock front and more energetic explosions. When the rotational speed is moderate, the shock once stalls at about 200 km away from the center similarly to a non-rotating model. Then the rotating progenitor experiences effective neutrino heating especially around an equatorial plane and explodes even with somewhat low neutrino luminosity for which the non-rotating model cannot overcome accreting matter and finally collapses. When the rotational speed is fast, the shock expands to about 300 km immediately after the core bounce and then evolves to move outward without shock stalling. We conclude that this positive effect of rotation to explosions is dominant against some possible negative aspects, for example, lower neutrino luminosity caused by less contraction of the rotating core.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Gyrokinetic particle simulation of a field reversed configuration

Gyrokinetic particle simulation of the field-reversed configuration (FRC) has been developed using the gyrokinetic toroidal code (GTC). The magnetohydrodynamic equilibrium is mapped from cylindrical coordinates to Boozer coordinates for the FRC core and scrape-off layer (SOL), respectively. A field-aligned mesh is constructed for solving self-consistent electric fields using a semi-spectral solver in a partial torus FRC geometry. This new simulation capability has been successfully verified and driftwave instability in the FRC has been studied using the gyrokinetic simulation for the first time. Initial GTC simulations find that in the FRC core, the ion-scale driftwave is stabilized by the large ion gyroradius. In the SOL, the driftwave is unstable on both ion and electron scales.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Automated Control for Nuclear Thermal Propulsion Start-Up using MOOSE-based Applications

This report presents a Griffin/Bison/RELAP-7 numerical model of a prototypical NTP system that features fuel assemblies arranged in rings, and which was designed to simulate rapid startup transients. The physics modeled include full-core neutronics, assembly-wise heat conduction, and conjugate heat transfer, with the balance of plant mainly imposed through boundary conditions. In addition, various forms of automated reactivity control were deployed by using the MOOSE to autonomously drive the model and simulate the reactor transitioning from assumed initial conditions to nominal power in a fraction of a minute. To generate the cross-sections of the neutronics model, and in an effort to simultaneously account for the tremendous axial temperature gradients in the reactor and to limit the number of state points required for cross-section generation, the average component temperatures and hydrogen densities in the cooling channels were correlated to the average fuel and moderator temperatures, and fixed axial profiles were derived for nominal conditions and then used during the transient. With this approximation, a tractable cross-section library tabulated with fuel/moderator temperatures and CD angles was generated using Serpent. The full-core SPH correction procedure and the CD decusping technology in Griffin, respectively, ensure preservation of the multiplication factor and reaction rates at state points, along with a reasonably accurate reactivity worth between tabulated CD angles, despite using a coarse mesh. Feedback from other physics was calculated by modeling one representative fuel assembly per ring, along with the corresponding fuel and moderator cooling channels. To limit power overshoots during startup, another layer of multiphysics coupling was added to the model in order to automatically control the drums. Two different technologies presented herein showed outstanding performance in this regard: (1) a novel hybrid PID controller based on both power and reactivity signals, and (2) a PGC that relies on kinetics parameters and reactivity coefficients to predict future behavior and adjust the desired signal accordingly. A challenging benchmark was devised, featuring a power demand curve that exponentially increases by a factor of 500 within 30 seconds, then levels out after that. Both control approaches create a simulated power curve that closely follows the power demand curve and limits power overshoots to 1% or less. While the former approach requires more tuning of the internal parameters, the latter requires additional knowledge of the reactivity feedback coefficients and rates of change of the corresponding variables, including fuel and moderator temperature, which could be difficult to dynamically measure for a real NTP system. Fortunately, some inaccuracy in these quantities will not drastically degrade the PGC performance. Subsequently, a more realistic startup sequence was considered, in which the mass flow rate and outlet pressures are ramped up to model bootstrap and thrust build-up phases prior to reaching steady-state conditions, demonstrating the ability of the hybrid PID and PGCs to handle such transients, with both types of controllers exhibiting very similar behavior. Nevertheless, a significant chamber temperature overshoot was observed, caused by the demanded power signal and assumed mass flow rate. This issue could be mitigated by deploying a reactor controller that follows the chamber temperature signal and actuates both the control valves and drums (rather than using a power signal based solely on the drums to control reactivity). Enhancement of the hydrogen fluid properties available in MOOSE, as well as a better understanding of prototypical initial conditions, are also needed to further enhance this startup model. Finally, a study was performed to model decay heat post-shutdown, and to prepare for extending this model to predict shutdown behavior and post-shutdown pulsed cooling requirements.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

The Dark Energy Survey supernova programme: modelling selection efficiency and observed core-collapse supernova contamination

ABSTRACT The analysis of current and future cosmological surveys of Type Ia supernovae (SNe Ia) at high redshift depends on the accurate photometric classification of the SN events detected. Generating realistic simulations of photometric SN surveys constitutes an essential step for training and testing photometric classification algorithms, and for correcting biases introduced by selection effects and contamination arising from core-collapse SNe in the photometric SN Ia samples. We use published SN time-series spectrophotometric templates, rates, luminosity functions, and empirical relationships between SNe and their host galaxies to construct a framework for simulating photometric SN surveys. We present this framework in the context of the Dark Energy Survey (DES) 5-yr photometric SN sample, comparing our simulations of DES with the observed DES transient populations. We demonstrate excellent agreement in many distributions, including Hubble residuals, between our simulations and data. We estimate the core collapse fraction expected in the DES SN sample after selection requirements are applied and before photometric classification. After testing different modelling choices and astrophysical assumptions underlying our simulation, we find that the predicted contamination varies from 7.2 to 11.7 per cent, with an average of 8.8 per cent and an r.m.s. of 1.1 per cent. Our simulations are the first to reproduce the observed photometric SN and host galaxy properties in high-redshift surveys without fine-tuning the input parameters. The simulation methods presented here will be a critical component of the cosmology analysis of the DES photometric SN Ia sample: correcting for biases arising from contamination, and evaluating the associated systematic uncertainty.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Solvent friction effects propagate over the entire protein molecule through low-frequency collective modes

Protein solvation dynamics has been investigated using atom-dependent Langevin friction coefficients derived directly from molecular dynamics (MD) simulations. To determine the effect of solvation on the atomic friction coefficients, solution and vacuum MD simulations were performed for lysozyme and staphylococcal nuclease and analyzed by Langevin mode analysis. The coefficients thus derived are roughly correlated with the atomic solvent-accessible surface area (ASA), as expected from the fact that friction occurs as the result of collisions with solvent molecules. However, a considerable number of atoms with higher friction coefficients are found inside the core region. Hence, the influence of solvent friction propagates into the protein core. The internal coefficients have large contributions from the low-frequency modes, yielding a simple picture of the surface-to-core long-range damping via solvation governed by collective low-frequency modes. To make use of these findings in implicit-solvent modeling, we compare the all-atom friction results with those obtained using Langevin dynamics (LD) with two empirical representations: the constant-friction and the ASA-dependent (Pastor Karplus) friction models. The constant-friction model overestimates the core and underestimates the surface damping whereas the ASA-dependent friction model, which damps protein atoms only on the solvent-accessible surface, reproduces well the friction coefficients for both the surface and core regions observed in the explicit-solvent MD simulations. Furthermore, in LD simulation, the solvent friction coefficients should be imposed only on the protein surface.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

MAGNETOHYDRODYNAMIC TURBULENCE POWERED BY MAGNETOROTATIONAL INSTABILITY IN NASCENT PROTONEUTRON STARS

Magnetorotational instability (MRI) in a convectively stable layer around the neutrinosphere is simulated by a three-dimensional model of a supernova core. To resolve MRI-unstable modes, a thin layer approximation considering only the radial global stratification is adopted. Our intriguing finding is that the convectively stable layer around the neutrinosphere becomes fully turbulent due to the MRI and its nonlinear penetration into the strongly stratified MRI-stable region. The intensity of the MRI-driven turbulence increases with magnetic flux threading the core, but is limited by the free energy stored in the differential rotation. The turbulent neutrinosphere is a natural consequence of rotating core-collapse and could exert a positive impact on the supernova mechanism.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

NUMERICAL VERIFICATION OF THE RELAP-7 CORE CHANNEL SINGLE-PHASE MODEL

The RELAP-7 code is the next generation of nuclear reactor system safety analysis code being developed at the Idaho National Laboratory (INL). All the physics in RELAP-7 are fully coupled and the errors resulted from the traditional operator-splitting approach are eliminated. By using 2nd order methods in both time and space and eliminating operator-splitting errors, the numerical error of RELAP-7 can be minimized. Numerical verification is the process to verify the orders of numerical methods. It is an important part of modern verification and validation process. The core channel component in RELAP-7 is designed to simulate coolant flow as well as the conjugated heat transfer between coolant flow and the fuel rod. A special treatment at fuel centerline to avoid numerical singularity for the cylindrical heat conduction in the continuous finite element mesh is discussed. One steady state test case and one fast power up transient test case are utilized for the verification of the core channel model with single-phase flow. Analytical solution for the fuel pin temperature and figures of merit such as peak clad temperature and peak fuel temperature are used to define numerical errors. These cases prove that the mass and energy are well conserved and 2nd order convergence rates for both time and space are achieved in the core channel model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRSDate not supplied

Ice Crystal Icing Investigation on a Honeywell Uncertified Research Engine in an Altitude Simulation Icing Facility

A Honeywell Uncertified Research Engine was exposed to various ice crystal conditions in the NASA Glenn Propulsion Systems Laboratory. Simulations using NASA's 1D Icing Risk Analysis tool were used to determine potential inlet conditions that could lead to ice crystal accretion along the inlet of the core flowpath and into the high pressure compressor. These conditions were simulated in the facility to develop baseline conditions. Parameters were then varied to move or change accretion characteristics. Data were acquired at altitudes varying from 5 kft to 45 kft, at nominal ice particle Median Volumetric Diameters from 20 µm to 100 µm, and total water contents of 1 g/m3 to 12 g/m3. Engine and flight parameters such as fan speed, Mach number, and inlet temperature were also varied. The engine was instrumented with total temperature and pressure probes. Static pressure taps were installed at the leading edge of the fan stator, front frame hub, the shroud of the IGV, and first two rotors. Metal temperatures were acquired for vane stators 1-2. In-situ measurements of the particle size distribution were acquired three meters upstream of the engine forward fan flange and one meter downstream of the fan in the bypass in order to study particle break-up behavior. Cameras were installed in the engine to capture ice accretions at the leading edge of the fan stator, splitter lip, and inlet guide vane. Additional measurements acquired but not discussed in this paper include: high speed pressure transducers installed at the trailing edge of the first stage rotor and light extinction probes used to acquire particle concentrations at the fan exit stator plane and at the inlet to the core and bypass. The goal of this study was to understand key parameters of accretion, acquire particle break-up data aft of the fan, and generate a unique icing dataset for model and tool development. This work described in the paper focuses on the effect of particle break-up. It was found that there was significant particle break-up downstream of the fan in the bypass especially with larger initial particle sizes. The metal temperatures on the inlet guide vanes and stators show a temperature increase with increasing MVD. Accretion behavior was very similar across all test cases. However at the inlet guide vanes, the accretion decreased with increasing particle size.

Ashlie B Flegel↗
DOE OSTI2016

Reducing DLOFC fuel temperatures by mixing thorium with LEU in a single-zone six-pass fuel cycle in a PBMR-DPP-400 core - 18548

Many studies have been done in neutronics and thermal-hydraulic simulation of the standard 6- pass fuel recirculation scheme for the standard 9.6 wt % enriched, 9 g per fuel sphere low-enriched uranium (LEU) fuel in the PBMR-DPP-400, using different versions of the VSOP diffusion codes. Maximum DLOFC temperatures were all below the upper limit of 1600 deg. C. The DLOFC temperature is highly dependent on the peaking factor of the power; meaning a lower maximum DLOFC temperature can be obtained by suppressing the axial power peak and by moving the radial power peak towards the external reflector. In this study the standard 6-pass fuel recirculation was retained. The improvement strategy was thus attempted by means of flattening the axial power profile by mixing substantial amounts of thorium into the LEU fuel. The addition of thorium led to breading of substantial amounts of {sup 233}U. This led to slower depletion of enrichment with burn-up, which increased fuel reactivity and power densities near the bottom of the core and thus flattened the axial power profile. The effect was a reduction in maximum DLOFC temperature by 44 deg. C. The simulations were made using the VSOP- 99/05 diffusion code. It was further shown that the results obtained are also applicable to the Chinese HTR-PM and the proposed strategies for further improvement can be expected to produce even much better results in Block Reactors than in Pebble Bed Reactors. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗