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NASA NTRS2019

FUN3D Manual: 13.5

This manual describes the installation and execution of FUN3D (Fully-UNstructured three-dimensional CFD (Computational Fluid Dynamics) code) version 13.5, including optional dependent packages. FUN3D is a suite of computational fluid dynamics simulation and design tools that uses mixed-element unstructured grids in a large number of formats, including structured multiblock and overset grid systems. A discretely-exact adjoint solver enables efficient gradient-based design and grid adaptation to reduce estimated discretization error. FUN3D is available with and without a reacting, real-gas capability. This generic gas option is available only for those persons that qualify for its beta release status.

Biedron, Robert T.↗
NASA NTRS2019

FUN3D Manual: 13.6

This manual describes the installation and execution of FUN3D version 13.6, including optional dependent packages. FUN3D is a suite of computational fluid dynamics simulation and design tools that uses mixed-element unstructured grids in a large number of formats, including structured multiblock and overset grid systems. A discretely-exact adjoint solver enables efficient gradient-based design and grid adaptation to reduce estimated discretization error. FUN3D is available with and without a reacting, real-gas capability. This generic gas option is available only for those persons that qualify for its beta release status.

Robert T Biedron↗
NASA NTRS1991

Robust and real-time control of magnetic bearings for space engines

Currently, NASA Lewis Research Center is developing magnetic bearings for Space Shuttle Main Engine (SSME) turbopumps. The control algorithms which have been used are based on either the proportional-intergral-derivative control (PID) approach or the linear quadratic (LQ) state space approach. These approaches lead to an acceptable performance only when the system model is accurately known, which is seldom true in practice. For example, the rotor eccentricity, which is a major source of vibration at high speeds, cannot be predicted accurately. Furthermore, the dynamics of a rotor shaft, which must be treated as a flexible system to model the elastic rotor shaft, is infinite dimensional in theory and the controller can only be developed on the basis of a finite number of modes. Therefore, the development of the control system is further complicated by the possibility of closed loop system instability because of residual or uncontrolled modes, the so called spillover problem. Consequently, novel control algorithms for magnetic bearings are being developed to be robust to inevitable parametric uncertainties, external disturbances, spillover phenomenon and noise. Also, as pointed out earlier, magnetic bearings must exhibit good performance at a speed over 30,000 rpm. This implies that the sampling period available for the design of a digital control system has to be of the order of 0.5 milli-seconds. Therefore, feedback coefficients and other required controller parameters have to be computed off-line so that the on-line computational burden is extremely small. The development of the robust and real-time control algorithms is based on the sliding mode control theory. In this method, a dynamic system is made to move along a manifold of sliding hyperplanes to the origin of the state space. The number of sliding hyperplanes equals that of actuators. The sliding mode controller has two parts; linear state feedback and nonlinear terms. The nonlinear terms guarantee that the systems would reach the intersection of all sliding hyperplanes and remain on it when bounds on the errors in the system parameters and external disturbances are known. The linear part of the control drives the system to the origin of state space. Another important feature is that the controller parameter can be computed off-line. Consequently, on-line computational burden is small.

Sinha, Alok↗
DOE OSTI2023

Measures of complexity and entanglement in many-fermion systems

There is no unique and widely accepted definition of the complexity measure (CM) of a many-fermion wave function in the presence of interactions. The simplest many-fermion wave function is a Slater determinant. In shell-model or configuration interaction (CI) and other related methods, the state is represented as a superposition of a large number of Slater determinants, which in the case of CI calculations reaches about 20 billion terms [Johnson, arXiv:1809.07869]. Although in practice this number has been used as a CM for decades, it is ill defined: it is not unique, and it depends on the particular type and the number of single-particle wave functions used to construct the Slater determinants. Further, the canonical wave functions and/or natural orbitals [Löwdin, Adv. Phys. 5, 1 (1956); Löwdin and Shull, Phys. Rev. 101, 1730 (1956); Bardeen et al., Phys. Rev. 108, 1175 (1957); N. N. Bogoljubov, Il Nuovo Cimento 7, 794 (1958); Valatin, Il Nuovo Cimento 7, 843 (1958); de Gennes, Superconductivity of Metals and Alloys (CRC Press, Boca Raton, FL, 1999); Ring and Schuck, The Nuclear Many-Body Problem, 1st ed. (Springer-Verlag, Berlin, 2004)] and their corresponding occupation probabilities are intrinsic properties of any many-body wave function, irrespective of the representation, and they provide a unique solution to characterize the CM. The non-negative orbital entanglement entropy, which vanishes for a Slater determinant, provides the simplest CM, while a more complete measure of complexity is the entanglement spectrum. We illustrate these aspects in the case of a complex nonequilibrium time-dependent process, induced nuclear fission described within a real-time density functional theory framework extended to superfluid systems, which can describe simultaneously the long-range and the short-range correlations between fermions. The orbital entanglement entropy of the fissioning nucleus illustrates the localization mechanism of the many-body wave function in Fock and/or Hilbert space. The (minimal) number of Slater determinants required to represent such a complex many-body wave function with a well-defined number of particles in the case presented here is about 10 500 . The realistic case of the highly nonequilibrium nuclear fission process illustrated here is equivalent to a system of 23.328×10 9 interacting quantum spin-1/2 particles, a very large system for the study of quantum entanglement.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

DEM analysis of the effect of interface transition zone on dynamic splitting tensile behavior of high-strength concrete based on multi-phase model

Highlights: • Crushable aggregates with the real geometry shape are generated by using clump-cluster method. • Flat-Joint Model is adopted as the constitutive law. • The tensile strength is almost not affected by ITZ strength when its strength exceeds 0.8 times that of mortar. • A modified formula that can reflect the functional relationship between the ITZ strength and the TDIF is proposed. The tensile strength is one of the main parameters in the design of concrete structures and has an important influence on the cracking performance and durability of concrete materials. As the weak region in concrete, the strength of the interface transition zone (ITZ) directly affects the dynamic mechanical response of concrete. Meanwhile, considering that the tensile performance of concrete is far weaker than its compressive performance, the study of the strength of ITZ is of great significance to the dynamic tensile fracture characteristics and mechanical properties of concrete. In this paper, a method combining 3D scanning technology and Clump-Cluster was proposed to generate a real geometry shape model of crushable aggregate. On this basis, the 3D discrete element model (DEM) of high-strength concrete was constructed using the Flat-Joint Model (FJM). The effects of the ITZ strength on the failure mode, number of microcracks, tensile strength and strain rate effect of high-strength concrete under strain rates from 0.01/s to 100/s were studied by splitting tensile test. The simulation results indicate that the number of microcracks generated decreases with the increase of ITZ strength, and the proportion of ITZ cracks decreases obviously. When the ITZ strength exceeds the critical value of 0.8 times that of mortar, the tensile strength is almost not affected by ITZ strength. In addition, based on the numerical simulation results, a modified formula that can reflect the functional relationship between the ITZ strength and the dynamic increasing factor of the concrete tensile strength (TDIF) is proposed, and the rationality of the TDIF modified formula is verified.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Leveraging Multiple Raman Excitation Wavelength Systems for Process Monitoring of Nuclear Waste Streams

Processing nuclear waste from sites such as Hanford is a significant environmental cleanup need while being a significant logistical challenge. Integration of process monitoring tools, that can provide in situ and real-time feedback about the process, can significantly alleviate needs to collect grab samples for process control and product characterization. Raman spectroscopy paired with chemometric analysis is one process monitoring tool that can provide chemical composition information on a large number of chemical targets in nuclear waste streams. However, methods to improve limits of detection as well as drop uncertainty in quantification are needed. Optimizing instrument specifications can achieve this, here this is demonstrated by comparing limits of detection for key analytes when using Raman systems with 671 nm, 532 nm, and 405 nm excitation wavelengths. Generally, limits of detection decease (allowing the measurement of lower salt concentrations) with decreasing wavelength. Similarly, data collection times and averaging were optimized. Finally, multiple chemometric modeling approaches were leveraged, including multiblock methods that combined data from all three Raman systems to simultaneously quantify targets with improved sensitivity.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Nonequilibrium universality of the nonreciprocally coupled 𝑂⁡(𝑛 1 ) × 𝑂⁡(𝑛 2 ) model

Nonequilibrium dynamics play an important role in all contexts of physics, both classical and quantum as well as living and nonliving, so it is crucial to develop a foundational understanding of nonequilibrium phase transitions. In this work we investigate an important class of nonequilibrium dynamics in the form of nonreciprocal interactions. In particular we study how nonreciprocal coupling between two 𝑂⁡(𝑛𝑖) order parameters (with 𝑖 = 1,2) affects the universality at a multicritical point, extending the analysis of J. T. Young et al. [Phys. Rev. X 10, 011039 (2020)], which considered the case 𝑛 1 = 𝑛 2 = 1, i.e., a ℤ 2 × ℤ 2 model. We show that nonequilibrium fixed points (NEFPs) emerge for a broad range of 𝑛 1 ,𝑛 2 and exhibit intrinsically nonequilibrium critical phenomena, namely a violation of fluctuation-dissipation relations at all scales and underdamped oscillations near criticality in contrast to the overdamped relaxational dynamics of the corresponding equilibrium models. Furthermore, the NEFPs exhibit an emergent discrete scale invariance in certain physically relevant regimes of 𝑛 1 ,𝑛 2 , but not others, depending on whether the critical exponent 𝜈 is real or complex. The boundary between these two regions is described by an exceptional point in the renormalization group (RG) flow, leading to distinctive features in correlation functions and the phase diagram. Another contrast with the previous work is the number and stability of the NEFPs as well as the underlying topology of the RG flow. Lastly, we investigate an extreme form of nonreciprocity where one order parameter is independent of the other order parameter but not vice versa. Unlike the ℤ 2 × ℤ 2 model, which becomes nonperturbative in this case, we identify a distinct nonequilibrium universality class whose dependent field similarly violates fluctuation-dissipation relations but does not exhibit discrete scale invariance or underdamped oscillations near criticality.

Critical phenomena↗
DOE OSTI2022

Many-body Green's function approaches to the doped Fröhlich solid: Exact solutions and anomalous mass enhancement

In polar semiconductors and insulators, the Fröhlich interaction between electrons and long-wavelength longitudinal optical phonons induces a many-body renormalization of the carrier effective masses and the appearance of characteristic phonon sidebands in the spectral function, commonly dubbed “polaron satellites.” The simplest model that captures these effects is the Fröhlich model, whereby electrons in a parabolic band interact with a dispersionless longitudinal optical phonon. The Fröhlich model has been employed in a number of seminal papers, from early perturbation-theory approaches to modern diagrammatic Monte Carlo calculations. One limitation of this model is that it focuses on undoped systems, thus ignoring carrier screening and Pauli blocking effects that are present in real experiments on doped samples. Here, to overcome this limitation, we extend the Fröhlich model to the case of doped systems, and we provide exact solutions for the electron spectral function, mass enhancement, and polaron satellites. We perform the analysis using two approaches, namely, Dyson’s equation with the Fan-Migdal self-energy, and the second-order cumulant expansion. We find that these two approaches provide qualitatively different results. In particular, Dyson’s approach yields better quasiparticle masses and worse satellites, while the cumulant approach provides better satellite structures, at the price of worse quasiparticle masses. Both approaches yield an anomalous enhancement of the electron effective mass at finite doping levels, which in turn leads to a breakdown of the quasiparticle picture in a significant portion of the phase diagram.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Solving nuclear structure problems with the adaptive variational quantum algorithm

Here we use the Lipkin-Meshkov-Glick (LMG) model and the valence-space nuclear shell model to examine the likely performance of variational quantum eigensolvers in nuclear-structure theory. The LMG model exhibits both a phase transition and spontaneous symmetry breaking at the mean-field level in one of the phases, features that characterize collective dynamics in medium-mass and heavy nuclei. We show that with appropriate modifications, the ADAPT-VQE algorithm, a particularly flexible and accurate variational approach, is not troubled by these complications. We treat up to 12 particles and show that the number of quantum operations needed to approach the ground-state energy scales linearly with the number of qubits. We find similar scaling when the algorithm is applied to the nuclear shell model with realistic interactions in the sd and pf shells. Although most of these simulations contain no noise, we use a noise model from real IBM hardware to show that for the LMG model with four particles, weak noise has no effect on the efficiency of the algorithm.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Renewable Energy Options for Large Utility Customers

A growing number of corporations and cities have adopted a goal to meet all of their annual electricity needs with renewable energy sources. Some have already achieved that goal and are exploring new ways to match their consumption more closely with real-time electricity production from these sources. Utilities are taking innovative approaches to serve these customer interests while protecting nonparticipants. Renewable Energy Options for Large Utility Customers presents perspectives from a utility, a large corporate customer, and cities that buy renewable energy. The report explores ways utilities can help large customers achieve their own renewable energy goals, implications of various utility program options, and ways to mitigate any negative impacts or risks.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Dynamic population balance in molecular-level simulations of hypersonic flows

This report summarizes the work towards developing stochastic weighted particle methods (SWPM) for future application in hypersonic flows. Extensive changes to Sandia’s direct simulation Monte Carlo (DSMC) solver, SPARTA (Stochastic Particle Real Time Analyzer), were made to enable the necessary particle splitting and reduction capabilities for SWPM. The results from one-dimensional Couette and Fourier flows suggest that SWPM can reproduce the correct transport for a large range of Knudsen numbers with adequate accuracy. The associated velocity and temperature profiles are in good agreement with DSMC. An issue with particle placement during particle number reduction, is identified, to which, a simple but effective solution based on minimizing the center of mass error is proposed. High Mach wheel flows are simulated using the SWPM and DSMC methods. SWPM is capable of providing nearly an order of magnitude increase in efficiency over DSMC while retaining high accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1962

Mercury Operational Experience

A number of papers have been given previously, both to the IAS and other scientific organizations, which deal with the operational planning for Project Mercury. This paper deals with the operational experience gained from the development of facilities to perform real-time flight control and the experience gained from using these facilities. The discussion of this experience is primarily limited to the Mercury-Atlas orbital flights leading up to and including the flight of Astronaut John H. Glenn, Jr. In addition, the over-all recovery operation is discussed.

Manned spacecraft↗
NASA NTRS1975

Data retransmission from water survey of Canada gauging stations using the ERTS data collection system

Nine sites were selected for installation of Data Collection Platforms (DCPs) with the objective of obtaining one near real time water level reading a day from each site. Also the dependability, costs and other aspects of the system could be studied and decisions made with respect to the feasibility of operating a much larger network of DCPs. The number of transmissions received each day from the gauging stations varies from a maximum of 26 to 12 and a minimum of 10 to 3, depending on the location. Quality checks of data have indicated that the data are good. None of the nine DCPs have failed once they have been successfully activated. The experience with the ERTS data collection system has been excellent. The DCP appears to be a rugged, reliable piece of equipment. The ones installed at water survey sites have withstood temperatures less than -40 C and the antennas have withstood wind speeds of over 80 kph (50 mph) and snow loads of 0.6 m (2 ft).

Halliday, R. A.↗
NASA NTRS1975

The canals of Mars - An assessment after Mariner 9

The Lowellian canal network has been compared with the results of Mariner 9 photography of Mars. A small number of canals may correspond to rift valleys, ridge systems, crater chains, and linear surface albedo markings. But the vast bulk of classical canals correspond neither to topographic nor to albedo features, and appear to have no relation to the real Martian surface.

Sagan, C.↗
NASA NTRS1978

A new formulation for the epsilon method applied to the minimum-time-to-climb problem

Balakrishnan's epsilon technique is used to compute minimum-time profiles for the F-104 airplane. This technique differs from the classical gradient method in that a quadratic penalty on the error in satisfying the equation of motion is included in the cost function to be minimized as a means of eliminating the requirement of satisfying the equations of motion. Although the number of unknown independent functions is increased to include the state variables, the evaluation of the gradient of the cost function is simplified, resulting in considerable computational savings, thereby making it appear feasible to use the epsilon method for real-time application.

Taylor, L. W., Jr.↗
NASA NTRS1979

Full-scale aircraft simulation with cryogenic tunnels and status of the National Transonic Facility

The effect of thermal and caloric imperfections in cryogenic nitrogen on boundary layers was determined to indicate that in order to simulate nonadiabatic laminar or turbulent boundary layers in a cryogenic nitrogen wind tunnel, the flight enthalpy ratio, rather than the temperature ratio, should be reproduced. The absence of significant real gas effects on both viscous and inviscid flows makes it unlikely that there will be large real gas effects on the cryogenic tunnel simulation of shock boundary layer interactions or other complex flow conditions encountered in flight. Condensation effects were studied to determine the minimum usable temperature and indicated that under most circumstances free stream Mach number rather than maximum local Mach number determines the onset of condensation effects.

Kilgore, R. A.↗
NASA NTRS1985

Application of optical interferometry in compressible flows

Interferometry methods were applied to the investigation of steady and unsteady flows in large scale transonic wind tunnels. Holographic interferometry was demonstrated to provide reliable flow visualization and quantitative results for a number of two-dimensional flows. These conclusions were based on extensive comparisons with results obtained by other means. Data obtained on a NACA 64A010 airfoil with an oscillating flap installed in the Ames 11-foot transonic tunnel are presented. Interferograms were recorded at a free stream Mach number of 0.8, flap frequency of 30 Hertz and chord Reynolds numbers of 6.6 x 10 to the 6th and 12.3 x 10 to the 6th. The interferometric results were reduced to dynamic surface pressures, Mach contours and wake flow profiles. A new interferometry method that is capable of providing real-time interferometry data is also discussed.

Bachalo, W. D.↗
NASA NTRS1990

Aerosol measurements in the stratocumulus project

Cloud Condensation Nuclei (CCN) and Condensation Nuclei (CN) were measured from the National Center for Atmospheric Research (NCAR) Electra throughout the marine stratocumulus project. The total particle concentration was measured with a condensation nucleus counter. The CCN were measured with the Desert Research Institute (DRI) instantaneous CCN spectrometer. This instrument simultaneously measures the concentration of aerosol active at up to 100 different critical supersaturations (Sc). This is accomplished by exposing the sample to a fixed supersaturation field and using the size of the droplets produced in this cloud chamber to deduce the Sc of the nuclei upon which they have grown. Droplet size is associated with Sc through a calibration which is accomplished by passing soluble aerosols of known size and composition through the cloud chamber. This procedure results in a calibration curve of Sc vs. droplet size. This then allows the channel number to be directly associated with Sc. Thus, number concentration vs. Sc is obtained and this is a CCN spectrum. Since the instrument operates continuously, the measurements at all Sc's are available simultaneously. Samples are drawn directly from the ambient air and data is displayed in nearly real time. Samples were integrated over times of about 10 seconds so that substantial spatial resolution is available. Calibrations were performed once or twice a day and were found to be consistent. Preliminary results are shown.

Hudson, James G.↗