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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 973 records · Page 54

Nuclear reactor transient analysis via a quasi-static kinetics Monte Carlo method

The predictor-corrector quasi-static (PCQS) method is applied to the Monte Carlo (MC) calculation for reactor transient analysis. To solve the transient fixed-source problem of the PCQS method, fission source iteration is used and a linear approximation of fission source distributions during a macro-time step is introduced to provide delayed neutron source. The conventional particle-tracking procedure is modified to solve the transient fixed-source problem via MC calculation. The PCQS method with MC calculation is compared with the direct time-dependent method of characteristics (MOC) on a TWIGL two-group problem for verification of the computer code. Then, the results on a continuous-energy problem are presented.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Active learning for robust, high-complexity reactive atomistic simulations

Machine learned reactive force fields based on polynomial expansions have been shown to be highly effective for describing simulations involving reactive materials. Nevertheless, the highly flexible nature of these models can give rise to a large number of candidate parameters for complicated systems. In these cases, reliable parameterization requires a well-formed training set, which can be difficult to achieve through standard iterative fitting methods. In this paper, we present an active learning approach based on cluster analysis and inspired by Shannon information theory to enable semi-automated generation of informative training sets and robust machine learned force fields. The use of this tool is demonstrated for development of a model based on linear combinations of Chebyshev polynomials explicitly describing up to four-body interactions, for a chemically and structurally diverse system of C/O under extreme conditions. We show that this flexible training database management approach enables development of models exhibiting excellent agreement with Kohn–Sham density functional theory in terms of structure, dynamics, and speciation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

First-principles calculation of the configurational energy density of states for a solid-state ion conductor with a variant of the Wang and Landau algorithm

In this work, a variant of the Wang and Landau algorithm for calculation of the configurational energy density of states is proposed. The algorithm was developed for the purpose of using first-principles simulations, such as density functional theory, to calculate the partition function of disordered sublattices in crystal materials. The expensive calculations of first-principles methods make a parallel algorithm necessary for a practical computation of the configurational energy density of states within a supercell approximation of a solid-state material. The algorithm developed in this work is tested with the two-dimensional (2d) Ising model to bench mark the algorithm and to help provide insight for implementation to a materials science application. Tests with the 2d Ising model revealed that the algorithm has good performance compared to the original Wang and Landau algorithm and the 1/$\textit{t}$ algorithm, in particular the short iteration performance. Further, a proof of convergence is presented within an adiabatic assumption, and the analysis is able to correctly predict the time dependence of the modification factor to the density of states. The algorithm was then applied to the lithium and lanthanum sublattice of the solid-state lithium ion conductor Li 0.5 La 0.5 TiO 3 . This was done to help understand the disordered nature of the lithium and lanthanum. The results find, overall, that the algorithm performs very well for the 2d Ising model and that the results for Li 0.5 La 0.5 TiO 3 are consistent with experiment while providing additional insight into the lithium and lanthanum ordering in the material. The primary result is that the lithium and lanthanum become more mixed between layers along the c axis for increasing temperature. In part, the simulation of the disordered Li 0.5 La 0.5 TiO 3 system serves as a benchmark for what size systems are currently and in the near future practical to calculate with density functional theory methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Attenuation of wall disturbances in an electron cyclotron resonance oxygen–argon plasma using real time control

Present practice in plasma-assisted semiconductor manufacturing specifies recipes in terms of inputs such as gas flow rates, power and pressure. However, ostensibly identical chambers running identical recipes may produce very different results. Extensive chamber matching, i.e., initial iterative, empirical tuning of the process recipe, which entails time-consuming, ex situ statistical analysis of process metrics such as etch depth, uniformity, anisotropy and selectivity, is required to ensure acceptable results. Once matched, chambers are run open loop and are thus sensitive to disturbances such as actuator drift, wall seasoning and substrate loading, which may impact negatively on process reproducibility. An alternative approach, which may obviate the need for chamber matching and reduce the sensitivity of process metrics to exogenous disturbances, would be to specify a recipe in terms of quantities such as active species densities, and to regulate these in real time by adjusting the inputs with a suitable control algorithm. In this work, real time control of an electron cyclotron resonance O{sub 2}/Ar plasma used for photoresist ashing has been implemented. The design of elementary, model-based algorithms for the control of the argon 750 and oxygen 844 line intensities measured by optical emission spectroscopy is described. Fluorination of the chamber walls by means of an SF{sub 6} plasma prior to ashing inhibits wall recombination of oxygen radicals resulting in an approximately 20% increase in ash rate in the open loop case. However, closed loop control almost completely attenuates the effect of fluorination, thus demonstrating the efficacy of the control algorithms in ensuring a reproducible ash rate in the face of a wall disturbance.

42 ENGINEERING↗

PARAFAC_T1

This is a method of performing trilinear analysis on large data sets using a modification of the PARAFAC-ALS algorithm. It iteratively decomposes the data matrix into a core matrix and three loading matrices based on the Tucker1 model. The algorithm is particularly useful for data sets that are too large to upload into a computer?s main memory. While the performance advantage in utilizing our algorithm is dependent on the number of data elements and dimensions of the data array, we have seen a significant performance improvement over operating PARAFAC-ALS on the full data set. SAND2020-12649 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Van Benthem, Mark↗

System-Level Logistics for Dual Purpose Canister Disposal

The analysis presented in this report investigated how the direct disposal of dual purpose canisters (DPCs) may be affected by the use of standard transportation aging and disposal canisters (STADs), early or late start of the repository, and the repository emplacement thermal power limits. The impacts were evaluated with regard to the availability of the DPCs for emplacement, achievable repository acceptance rates, additional storage required at an interim storage facility (ISF) and additional emplacement time compared to the corresponding repackaging scenarios, and fuel age at emplacement. The result of this analysis demonstrated that the biggest difference in the availability of UNF for emplacement between the DPC-only loading scenario and the DPCs and STADs loading scenario is for a repository start date of 2036 with a 6 kW thermal power limit. The differences are also seen in the availability of UNF for emplacement between the DPC-only loading scenario and the DPCs and STADs loading scenario for the alternative with a 6 kW thermal limit and a 2048 start date, and for the alternatives with a 10 kW thermal limit and 2036 and 2048 start dates. The alternatives with disposal of UNF in both DPCs and STADs did not require additional storage, regardless of the repository acceptance rate, as compared to the reference repackaging case. In comparison to the reference repackaging case, alternatives with the 18 kW emplacement thermal limit required little to no additional emplacement time, regardless of the repository start time, the fuel loading scenario, or the repository acceptance rate. Alternatives with the 10 kW emplacement thermal limit and the DPCs and STADs fuel loading scenario required some additional emplacement time. The most significant decrease in additional emplacement time occurred in the alternative with the 6 kW thermal limit and the 2036 repository starting date. The average fuel age at emplacement ranges from 46 to 88 years. The maximum fuel age at emplacement ranges from 81 to 146 years. The difference in the average and maximum age of fuel at emplacement between the DPC-only and the DPCs and STADs fuel loading scenarios becomes less significant as the repository thermal limit increases and as the repository start date increases. In general, the role of STADs is to store young (30 year or younger) high burnup (45 GWD/MTU or higher) fuel. Recommendations for future study include detailed evaluation of the feasible alternatives with regard to the costs and factors not considered in this analysis, such as worker dose, dose to members of the public, and economic benefits to host entities. It is also recommended to conduct an additional analysis to evaluate the assumption regarding the transportability and disposability of DPCs for the next iteration of the direct disposal of DPCs study.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Loop Thermosyphon Enhanced Solar Collector

A two-phase loop thermosyphon solar collector was developed to transfer thermal energy efficiently and passively from a concentrated solar collector to a thermal desalination process. The two-phase flow in the loop thermosyphon is driven by a difference in gravitational pressure head between the liquid return line and the two-phase riser located between the evaporator and condenser. A numerical model incorporating mass, energy, and pressure drop balances was developed to predict system performance and use as a design tool. Three iterations of loop thermosyphon solar collectors were designed, fabricated, and tested to validate the numerical analysis and demonstrate system integration. Additionally, a novel solar receiver design was evaluated based on volumetric absorption of the concentrated sunlight by an optically absorptive two-phase working fluid. Life tests were performed to evaluate the working fluid thermal stability and resistance to ultraviolet degradation. A glass receiver tube and associated glass-to-metal junctions were developed. Finally, a full-scale loop thermosyphon was integrated with a parabolic trough solar collector and tested on-sun.

14 SOLAR ENERGY↗

Metamaterials as a Platform for the Development of Novel Materials for Energy Applications

To explore the fundamental properties of metamaterials (MMs) / metasurfaces and their potential for control of energy at the sub‐wavelength scale in support of the mission of the Department of Energy and the office of Basic Energy Sciences. Electromagnetic metamaterials provide a platform for the discovery and design of new materials with novel structures, functions, and properties. The PI proposes to advance the knowledge base of these materials through fundamental investigations of the experimental and theoretical properties of metamaterials for the discovery, prediction and design of new materials with novel structures, functions, and properties. The proposed research activities emphasize a complete basic research program including the conceptual / computational design, fabrication / synthesis of the materials, and the characterization and analysis of their electromagnetic properties. The proposed project explores the fundamental properties of metamaterials / metasurfaces and their potential for energy applications. There are three main topics which will be investigated: 1) Dispersion engineering with metamaterials and metasurfaces, 2) Epsilon near zero metamaterial absorbers and emitters, and 3) All dielectric metamaterials. The program implements a complete basic research program consisting of theory / design, modeling, characterization, and analysis, in order to fully characterize metamaterials and metasurfaces, while at the same time minimizing iterations necessary to achieve the proposal goals.

36 MATERIALS SCIENCE↗

Diffraction of radio-frequency waves by plasma turbulence in the edge of a tokamak

The Mie-Lorenz-Debye theory of scattering of radio frequency waves (RF) by filamentary structures in the edge of a tokamak plasma has been established in prior publications. These results have been verified. Theory and computations show that RF can be reflected, refracted, and diffracted by turbulence. Furthermore, the filamentary structures lead to side scattering of waves and excitation of wave modes different from the launched RF. It is important to quantify the overall effect of turbulence on the propagation of RF since efficiency of heating and current drive by RF waves depends upon the wave characteristics. The commonly used RF ranges vary from the low frequency ion-cyclotron (IC) waves, to medium frequency lower-hybrid (LH) waves, to high-frequency electron cyclotron (EC) waves with wavelengths respectively, large, comparable, or smaller than the radial dimensions of the filaments. Currently, we discuss the scattering as well as the forces exerted by different RF in the edge plasma. Also, we present a code for 3D full wave scattering analysis of arbitrary tensor permittivity and plasma density profiles. The study is applicable to ITER-like plasmas, as well as to plasmas in medium sized tokamaks such as TCV, ASDEX-U and DIII-D and high field concepts like SPARC.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Heat transfer evaluation in a plasma core reactor

Numerical evaluations of heat transfer in a fissioning uranium plasma core reactor cavity, operating with seeded hydrogen propellant, was performed. A two-dimensional analysis is based on an assumed flow pattern and cavity wall heat exchange rate. Various iterative schemes were required by the nature of the radiative field and by the solid seed vaporization. Approximate formulations of the radiative heat flux are generally used, due to the complexity of the solution of a rigorously formulated problem. The present work analyzes the sensitivity of the results with respect to approximations of the radiative field, geometry, seed vaporization coefficients and flow pattern. The results present temperature, heat flux, density and optical depth distributions in the reactor cavity, acceptable simplifying assumptions, and iterative schemes. The present calculations, performed in cartesian and spherical coordinates, are applicable to any most general heat transfer problem.

Smith, D. E.↗

TAP 2: A finite element program for thermal analysis of convectively cooled structures

A finite element computer program (TAP 2) for steady-state and transient thermal analyses of convectively cooled structures is presented. The program has a finite element library of six elements: two conduction/convection elements to model heat transfer in a solid, two convection elements to model heat transfer in a fluid, and two integrated conduction/convection elements to represent combined heat transfer in tubular and plate/fin fluid passages. Nonlinear thermal analysis due to temperature-dependent thermal parameters is performed using the Newton-Raphson iteration method. Transient analyses are performed using an implicit Crank-Nicolson time integration scheme with consistent or lumped capacitance matrices as an option. Program output includes nodal temperatures and element heat fluxes. Pressure drops in fluid passages may be computed as an option. User instructions and sample problems are presented in appendixes.

Thornton, E. A.↗

Pattern recognition in the satellite temperature retrieval problem

Pattern recognition procedures have been developed in order to improve the first-guess fields for satellite temperature retrievals. The first procedure is used to select one or more historical radiosonde temperature profiles as analog estimates of ambient thermal structure. The second procedure is used to organize a priori data into shape-coherent pattern libraries using structural information inherent in the data itself. On the basis of independent tests of about 800 temperature retrievals, it was found that: (1) the pattern recognition techniques reduced first-guess profile errors by nearly 50 percent in comparison with traditional partitioning schemes; and (2) with regression and physical-iterative retrieval algorithms, however, the effect of pattern recognition on temperature retrieval error was insignificant. Analysis of individual retrieval errors showed that poor retrievals may outweigh the potential benefits of both pattern recognition techniques.

Thompson, O. E.↗

Integrated structural analysis and design using 3-D finite elements

The optimum design of the shape of a hole in a plate in tension is obtained with a design algorithm based on partially converged analysis. The plate is modeled by three-dimensional finite elements, and an EBE PCG iterative solution algorithm is used for solving the equations of equilibrium. Several parametrizations of the optimum shape are considered, and it is found that a sine series can describe the optimum shape with only three design variables. The optimum shape compares well with an experimental optimum obtained by Durelli.

Barthelemy, B.↗

Probabilistic Structures Analysis Methods (PSAM) for select space propulsion system components

The basic formulation for probabilistic finite element analysis is described and demonstrated on a few sample problems. This formulation is based on iterative perturbation that uses the factorized stiffness on the unperturbed system as the iteration preconditioner for obtaining the solution to the perturbed problem. This approach eliminates the need to compute, store and manipulate explicit partial derivatives of the element matrices and force vector, which not only reduces memory usage considerably, but also greatly simplifies the coding and validation tasks. All aspects for the proposed formulation were combined in a demonstration problem using a simplified model of a curved turbine blade discretized with 48 shell elements, and having random pressure and temperature fields with partial correlation, random uniform thickness, and random stiffness at the root.

Source record↗

Three-dimensional blade vortex interactions

A three-dimensional time dependent Navier-Stokes analysis was applied to the rotor blade vortex interaction problem. The numerical procedure is an iterative implicit procedure using three point central differences to represent spatial derivatives. A series of calculations were made to determine the time steps, pseudo-time steps, iterations, artificial dissipation level, etc. required to maintain a nondissipative vortex. Results show the chosen method to have excellent non-dissipative properties provided the correct parameters are chosen. This study was used to set parameters for both two- and three-dimensional blade vortex interaction studies. The case considered was the interaction between a vortex and a NACA0012 airfoil. The results showed the detailed physics during the interaction including the pressure pulse propagating from the blade. The simulated flow physics was qualitatively similar to that experimentally observed. The BVI phenomena is the result of the buildup and violent collapse of the shock waves and local supersonic pockets on the blade surfaces. The resulting pressure pulse build-up appears to be centered at the blade leading edge.

Davoudzadeh, Farhad↗

Automated pattern eduction from turbulent flow diagnostics

The development of an automated technique for the eduction of 3-D spatial patterns in vector or scalar diagnostics was completed. The method is based on an iterative convolution between a trial pattern and the data field. It was applied to the analysis of low Reynolds number turbulent channel flow and homogeneous shear flow. The results yielded new information on the dominant flow structures in these flows, particularly with respect to the spatial relationships between various forms of organized motion. A particular application of the pattern eduction method, which is tentatively referred to as an 'adaptive wavelet transformation', is proposed with the objective of investigating the way turbulence structure changes with scale. Preliminary results using data from homogeneous turbulent shear flow simulations are presented. At the low Reynolds numbers of the simulations, there is no evidence of scale similarity. The small scales appear to be associated with the edges of the larger scale vortical structures.

Stretch, Derek D.↗

Solar Array Panels With Dust-Removal Capability

It has been proposed to incorporate piezoelectric vibrational actuators into the structural supports of solar photovoltaic panels, for the purpose of occasionally inducing vibrations in the panels in order to loosen accumulated dust. Provided that the panels were tilted, the loosened dust would slide off under its own weight. Originally aimed at preventing obscuration of photovoltaic cells by dust accumulating in the Martian environment, the proposal may also offer an option for the design of solar photovoltaic panels for unattended operation at remote locations on Earth. The figure depicts a typical lightweight solar photovoltaic panel comprising a backside grid of structural spars that support a thin face sheet that, in turn, supports an array of photovoltaic cells on the front side. The backside structure includes node points where several spars intersect. According to the proposal, piezoelectric buzzers would be attached to the node points. The process of designing the panel would be an iterative one that would include computational simulation of the vibrations by use of finite- element analysis to guide the selection of the vibrational frequency of the actuators and the cross sections of the spars to maximize the agitation of dust.

Dawson, Stephen↗

The role of risk management in the design of diagnostics for fusion reactors

A project-oriented approach is beneficial for the selection and design of viable diagnostics for fusion reactors because of the associated complex physical and organizational environment. The project-oriented approach includes rigorous risk management. The nature and impact of risks related to technical, organizational and commercial aspects in relation to the development of ITER diagnostics under EU responsibility are analyzed. The majority of risks are related to organizational aspects and technical feasibility issues. The experience with ITER is extrapolated to DEMO and beyond. It should not be taken for granted that technical solutions will be found, while a risk analysis of various diagnostic techniques with quantitative assessments undertaken early in the design of DEMO would be beneficial.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗