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High Temperature Composite Analyzer (HITCAN) theoretical manual, version 1.0

This manual outlines some of the theoretical aspects embedded in the computer code, HITCAN (High Temperature Composite ANalyzer). HITCAN is a general purpose computer program for predicting nonlinear global structural and local stress-strain response of arbitrarily oriented, multilayered high temperature metal matrix composite structures. This code combines composite mechanics and laminate theory with an internal data base of the constituents (matrix, fiber and interface) material properties. The thermal and mechanical properties of the constituents are considered to be nonlinearly dependent on several parameters including temperature, stress and stress rate. The computational procedure for the analysis of the composite structure uses the finite element method. HITCAN consists of three modules: COBSTRAN, METCAN and MHOST. COBSTRAN generates the geometry (pre-processor) and defines the layup of the different plies. METCAN computes the material behavior of the composite and of the constituents. Finally, MHOST is a finite element program based on the mixed iterative solution technique. MHOST has a library for 2D and 3D isoparametric elements. HITCAN is written in FORTRAN 77 computer language and has been configured and executed on the NASA Lewis Research Center CRAY XMP and YMP computers.

Lackney, J. J.↗

Wind Tunnel Interference Effects on Tilt Rotor Testing Using Computational Fluid Dynamics

Experimental techniques to measure rotorcraft aerodynamic performance are widely used. However, most of them are either unable to capture interference effects from bodies, or require an extremely large computational budget. The objective of the present research is to develop an XV-15 Tiltrotor Research Aircraft rotor model for investigation of wind tunnel wall interference using a novel Computational Fluid Dynamics (CFD) solver for rotorcraft, RotCFD. In RotCFD, a mid-fidelity Unsteady Reynolds Averaged Navier-Stokes (URANS) solver is used with an incompressible flow model and a realizable k-ε turbulence model. The rotor is, however, not modeled using a computationally expensive, unsteady viscous body-fitted grid, but is instead modeled using a blade-element model (BEM) with a momentum source approach. Various flight modes of the XV-15 isolated rotor, including hover, tilt, and airplane mode, have been simulated and correlated to existing experimental and theoretical data. The rotor model is subsequently used for wind tunnel wall interference simulations in the National Full-Scale Aerodynamics Complex (NFAC) at Ames Research Center in California. The results from the validation of the isolated rotor performance showed good correlation with experimental and theoretical data. The results were on par with known theoretical analyses. In RotCFD the setup, grid generation, and running of cases is faster than many CFD codes, which makes it a useful engineering tool. Performance predictions need not be as accurate as high-fidelity CFD codes, as long as wall effects can be properly simulated. For both test sections of the NFAC wall, interference was examined by simulating the XV-15 rotor in the test section of the wind tunnel and with an identical grid but extended boundaries in free field. Both cases were also examined with an isolated rotor or with the rotor mounted on the modeled geometry of the Tiltrotor Test Rig (TTR). A "quasi linear trim" was used to trim the thrust for the rotor to compare the power as a unique variable. Power differences between free field and wind tunnel cases were found from -7 to 0 percent in the 80- by 120-Foot Wind Tunnel and -1.6 to 4.8 percent in the 40- by 80-Foot Wind Tunnel, depending on the TTR orientation, tunnel velocity, and blade setting. The TTR will be used in 2016 to test the Bell 609 rotor in a similar fashion to the research in this report.

CFD↗

Cell-Edge Detection via Selective Cooperation and Generalized Canonical Correlation

Improving the uplink quality of service for users located around the boundaries between cells is a key challenge in cellular systems. Existing approaches relying on power control throttle the rates of cell-center users, while multi-user detection requires accurate channel estimates for the cell-edge users, which is another challenge due to their low received signal-to-noise ratio (SNR). Utilizing the fact that cell-edge user signals are weak but common (received at roughly equal power) at different base stations (BSs), this paper establishes a connection between cell-edge user detection and generalized canonical correlation analysis (GCCA). It puts forth a GCCA-based method that leverages selective BS cooperation to recover the cell-edge user signal subspace even at low SNR. The cell-edge user signals can then be extracted from the resulting mixture via algebraic signal processing techniques. The paper includes theoretical analysis showing why GCCA recovers the correct subspace containing the cell-edge user signals under mild conditions. The proposed method can also identify the number of cell-edge users in the system, i.e., the common subspace dimension. Simulations reveal significant performance improvement relative to various multiuser detection techniques. Cell-edge detection performance is further studied as a function of how many / which BSs are selected, and it is shown that using the closest three BS is always the best choice.

base station cooperation↗

On the Spectral Evolution of Hot White Dwarf Stars. II. Time-dependent Simulations of Element Transport in Evolving White Dwarfs with STELUM

White dwarf stars are subject to various element transport mechanisms that can cause their surface composition to change radically as they cool, a phenomenon known as spectral evolution. In this paper, we undertake a comprehensive theoretical investigation of the spectral evolution of white dwarfs. First, we introduce STELUM, a new implementation of the stellar evolutionary code developed at the Université de Montréal. We provide a thorough description of the physical content and numerical techniques of the code, covering the treatment of both stellar evolution and chemical transport. Then, we present two state-of-the-art numerical simulations of element transport in evolving white dwarfs. Atomic diffusion, convective mixing, and mass loss are considered simultaneously as time-dependent diffusive processes and are fully coupled to the cooling. We first model the PG 1159-DO-DB-DQ evolutionary channel: a helium-, carbon-, and oxygen-rich PG 1159 star transforms into a pure-helium DB white dwarf due to gravitational settling and then into a helium-dominated, carbon-polluted DQ white dwarf through convective dredge-up. We also compute for the first time the full DO-DA-DC evolutionary channel: a helium-rich DO white dwarf harboring residual hydrogen becomes a pure-hydrogen DA star through the float-up process and then a helium-dominated, hydrogen-bearing DC star due to convective mixing. We demonstrate that our results are in excellent agreement with available empirical constraints. In particular, our DO-DA-DC simulation perfectly reproduces the lower branch of the bifurcation observed in the Gaia color–magnitude diagram, which can therefore be interpreted as a signature of spectral evolution.

79 ASTRONOMY AND ASTROPHYSICS↗

A Unique Test Facility to Measure Liner Performance with a Summary of Initial Test Results

A very ambitious study was initiated to obtain detailed acoustic and flow data with and without a liner in a duct containing a mean flow so that available theoretical models of duct liners can be validated. A unique flow-duct facility equipped with a sound source, liner box, flush-walled microphones, traversable microphones and traversable pressure and temperature probes was built. A unique set of instrumentation boxes equipped with computer controlled traverses were designed and built that allowed measurements of Mach number, temperature, SPLs and phases in two planes upstream of a liner section and two planes downstream at a large number of measurement points. Each pair of planes provided acoustic pressure gradients for use in estimating the particle velocities. Specially-built microphone probes were employed to make measurements in the presence of the flow. A microphone traverse was also designed to measure the distribution of SPLs and phases from the beginning of the liner to its end along the duct axis. All measurements were made with the help of cross-correlation techniques to reject flow noise and/or other obtrusive noise, if any. The facility was designed for future use at temperatures as high as 1500 F. In order to validate 2-D models in the presence of mean flow, the flow duct was equipped with a device to modify boundary layer flow on the smaller sides of a rectangular duct to simulate 2-D flow. A massive amount of data was acquired for use in validating duct liner models and will be provided to NASA in an electronic form. It was found that the sound in the plane-wave regime is well behaved within the duct and the results are repeatable from one run to another. At the higher frequencies corresponding to the higher-order modes, the SPLs within a duct are not repeatable from run to run. In fact, when two or more modes have the same frequency (i.e., for the degenerate modes), the SPLs in the duct varied between 2 dB to 12 dB from run to run. This made the calibration of the microphone probes extremely difficult at the higher frequencies.

Ahuja, K. K.↗

Mathematical description of complex chemical kinetics and application to CFD modeling codes

A major effort in combustion research at the present time is devoted to the theoretical modeling of practical combustion systems. These include turbojet and ramjet air-breathing engines as well as ground-based gas-turbine power generating systems. The ability to use computational modeling extensively in designing these products not only saves time and money, but also helps designers meet the quite rigorous environmental standards that have been imposed on all combustion devices. The goal is to combine the very complex solution of the Navier-Stokes flow equations with realistic turbulence and heat-release models into a single computer code. Such a computational fluid-dynamic (CFD) code simulates the coupling of fluid mechanics with the chemistry of combustion to describe the practical devices. This paper will focus on the task of developing a simplified chemical model which can predict realistic heat-release rates as well as species composition profiles, and is also computationally rapid. We first discuss the mathematical techniques used to describe a complex, multistep fuel oxidation chemical reaction and develop a detailed mechanism for the process. We then show how this mechanism may be reduced and simplified to give an approximate model which adequately predicts heat release rates and a limited number of species composition profiles, but is computationally much faster than the original one. Only such a model can be incorporated into a CFD code without adding significantly to long computation times. Finally, we present some of the recent advances in the development of these simplified chemical mechanisms.

Bittker, D. A.↗

Mathematical Description of Complex Chemical Kinetics and Application to CFD Modeling Codes

A major effort in combustion research at the present time is devoted to the theoretical modeling of practical combustion systems. These include turbojet and ramjet air-breathing engines as well as ground-based gas-turbine power generating systems. The ability to use computational modeling extensively in designing these products not only saves time and money, but also helps designers meet the quite rigorous environmental standards that have been imposed on all combustion devices. The goal is to combine the very complex solution of the Navier-Stokes flow equations with realistic turbulence and heat-release models into a single computer code. Such a computational fluid-dynamic (CFD) code simulates the coupling of fluid mechanics with the chemistry of combustion to describe the practical devices. This paper will focus on the task of developing a simplified chemical model which can predict realistic heat-release rates as well as species composition profiles, and is also computationally rapid. We first discuss the mathematical techniques used to describe a complex, multistep fuel oxidation chemical reaction and develop a detailed mechanism for the process. We then show how this mechanism may be reduced and simplified to give an approximate model which adequately predicts heat release rates and a limited number of species composition profiles, but is computationally much faster than the original one. Only such a model can be incorporated into a CFD code without adding significantly to long computation times. Finally, we present some of the recent advances in the development of these simplified chemical mechanisms.

Bittker, D. A.↗

A Monte Carlo investigation of thrust imbalance of solid rocket motor pairs

A technique is described for theoretical, statistical evaluation of the thrust imbalance of pairs of solid-propellant rocket motors (SRMs) firing in parallel. Sets of the significant variables, determined as a part of the research, are selected using a random sampling technique and the imbalance calculated for a large number of motor pairs. The performance model is upgraded to include the effects of statistical variations in the ovality and alignment of the motor case and mandrel. Effects of cross-correlations of variables are minimized by selecting for the most part completely independent input variables, over forty in number. The imbalance is evaluated in terms of six time - varying parameters as well as eleven single valued ones which themselves are subject to statistical analysis. A sample study of the thrust imbalance of 50 pairs of 146 in. dia. SRMs of the type to be used on the space shuttle is presented. The FORTRAN IV computer program of the analysis and complete instructions for its use are included. Performance computation time for one pair of SRMs is approximately 35 seconds on the IBM 370/155 using the FORTRAN H compiler.

Sforzini, R. H.↗

Lidar analysis techniques for use in the atmospheric boundary layer

There is a growing body of observational and theoretical evidence which suggests that local climate characteristics are associated with variations in the earth's surface. The link between surface variability and local-scale processes must be made if we are to improve our understanding of the feedback mechanisms involved in surface-atmosphere dynamics. However, to understand these interactions, the surface-atmosphere interface must be studied as a large-scale spatial system. Lidars are ideal tools to study the spatial properties of the atmosphere. The described techniques were developed for use with the Los Alamos Water Raman-Lidar, but are applicable to many other types of lidar. The methodology of the analysis of lidar data is summarized in order to determine meteorological parameters in the atmospheric boundary layer. The techniques are not exhaustive but are intended to show the depth and breadth of the information which can be obtained from lidars. Two methods for the computation of water-vapor fluxes were developed. The first uses the fact that the water vapor concentration in the vertical direction follows a logarithmic profile when corrected for atmospheric stability. The second method involves using inertial dissipation techniques in which lidar-derived spatial and temporal power spectra are used to determine the flux.

Eichinger, William E.↗

A Unified Picture of Pinatubo Aerosol Global-to Micro-Scale Evolution, From Space, Air, and Ground Measurements

We combine a variety of measurements to develop a composite picture of the post-Pinatubo aerosol and assess the consistency and uncertainties of the measurement and retrieval techniques. Satellite infrared spectroscopy, particle morphology, and evaporation temperature measurements are in accord with theoretical calculations in showing a dominant particle composition of H2SO4-H2O mixture, with H2SO4 weight fraction of 65-80% for most stratospheric temperatures and humidities. Important exceptions are: (1) the presence of volcanic ash at all altitudes initially and in a layer just above the tropopause until at least March 1992, and (2) much smaller H2SO4 weight fractions at the low temperatures attained in high latitude winters and at the tropical tropopause, Laboratory spectroscopy and theoretical calculations yield wavelength- and temperature-dependent refractive indices for the dominant H2SO4-H2O droplets. These in turn permit derivation of particle size spectra from measured optical depth spectra, for comparison to direct measurements by impactors and optical counters. All three techniques paint a generally consistent picture of the evolution of R(sub eff), the effective, or area-weighted, particle radius. In the first month after the eruption, although particle numbers increased by orders of magnitude, R(sub eff) was similar to the preemption value of 0.1 to 0.2 microns, because both small (r less than 0.2 microns) and large (r greater than 0.6 micron particles increased in number. Over the next 3-6 months, R(sub eff) increased to about 0.5 microns reflecting particle growth through condensation and coagulation. In general, R(sub eff) continued to increase for about a year after the eruption. Extinction spectra computed from in situ size distribution measurements are consistent with optical depth measurements, which show spectra with maxima initially at wavelengths of 0.42 microns or less, and thereafter progressively increasing to between 0.78 and 1 micron. Not until 1993 do optical depth spectra begin to show a clear return to the preemption signature of maximizing at the shortest visible wavelengths or in the near UV. This coupled evolution in particle size distribution and optical depth spectra helps explain the relationship between the global maps of 0.5- 1.0- micron optical depth derived from the AVHRR and SAGE satellite measurements.

Russell, Philip B.↗

Syncopated dynamical decoupling to suppress crosstalk in quantum circuits

Theoretically understanding and experimentally characterizing and modifying the underlying Hamiltonian of a quantum system is of utmost importance in achieving high-fidelity quantum gates for quantum computing. Here, in this work, we explore the use of dynamical decoupling (DD) in characterizing and suppressing undesired two-qubit couplings as well as the underlying single-qubit decoherence, both significant hurdles to achieving precise quantum control and realizing quantum computing on many hardware prototypes. Through discrete search of DD sequences, we identify sequences that protect against decoherence and selectively target unwanted two-qubit interactions of general form. On a transmon-qubit-based superconducting quantum device, we identify separate white and 1/𝑓 noise components underlying the single-qubit decoherence and a static ZZ coupling between pairs of qubits. A family of syncopated DD sequences is found and their efficiency is demonstrated in two-qubit benchmarking experiments. The syncopated decoupling technique significantly boosts performance in a realistic algorithmic quantum circuit.

97 MATHEMATICS AND COMPUTING↗

Parameter estimation supplement to the Mission Analysis Evaluation and Space Trajectory Operations program (MAESTRO)

This Parameter Estimation Supplement describes the PEST computer program and gives instructions for its use in determination of lunar gravitation field coefficients. PEST was developed for use in the RAE-B lunar orbiting mission as a means of lunar field recovery. The observations processed by PEST are short-arc osculating orbital elements. These observations are the end product of an orbit determination process obtained with another program. PEST's end product it a set of harmonic coefficients to be used in long-term prediction of the lunar orbit. PEST employs some novel techniques in its estimation process, notably a square batch estimator and linear variational equations in the orbital elements (both osculating and mean) for measurement sensitivities. The program's capabilities are described, and operating instructions and input/output examples are given. PEST utilizes MAESTRO routines for its trajectory propagation. PEST's program structure and subroutines which are not common to MAESTRO are described. Some of the theoretical background information for the estimation process, and a derivation of linear variational equations for the Method 7 elements are included.

Bjorkman, W. S.↗

Pinatubo Aerosol Global-to-Micro-Scale Evolution: A Unified Picture From Space, Air, and Ground Measurements

We combine a variety of measurements to develop a composite picture of the post-Pinatubo aerosol and assess the consistency and uncertainties of the measurement and retrieval techniques Satellite infrared spectroscopy, particle morphology, and evaporation temperature measurements are in accord with theoretical calculations In showing a dominant particle composition of H2SO4-H2O mature with H2SO4 weight traction of 65-80% for most stratospheric temperatures and humidities. Important exceptions are: (1) the presence of volcanic ash at all attitudes initially and in a layer just above the tropopause until at least March 1992, and (2) much smaller H2SO4 weight fractions at the low temperatures attained In high latitude winters and at the tropical tropopause. Laboratory spectroscopy and theoretical calculations yield wavelength- and temperature-dependent refractive indices for the dominant H2SO4-H2O droplets. These in turn permit derivation of particle size spectra from measured optical depth spectra for comparison to direct measurements by impactors and optical counters, All three techniques paint a generally consistent picture of the evolution of R(sub eff) the effective, or area-weighted, particle radius. In the first month after the eruption, although particle numbers increased by orders of magnitude, R(sub eff) was similar to the pre-eruption value of 0.1 to 0.2 microns because both small (r less than 0.2 microns) and large (r greater than 0.6 microns) particles increased in number. Over the next 3-6 months, R(sub eff) increased to about 0.5 microns, reflecting particle growth through condensation and coagulation. In general, R(sub eff) continued to increase for about a year after the eruption. Extinction spectra computed from in situ size distribution measurements are consistent with optical depth measurements, which show spectra with maxima initially at wavelengths of 0.42 microns or less, and thereafter progressively increasing to between 0.78 and 1 micron. Not until 1993 does optical depth spectra begin to show a clear return to the preeruption signature of maximizing at the shortest visible wavelengths or in the near UV. This coupled evolution in particle size distribution and optical depth spectra helps explain the relationship between the global maps of 0.5- and 1.0-kilometer optical depth derived from the AVHRR and SAGE satellite measurements. It also sets a context for evaluating remaining uncertainties in each of these satellite data products. We also show how the effects of wavelength-dependent refractive index on backscatter spectra can influence particle sizes retrieved from multiwavelength lidar measurements.

Russell, Philip B.↗

Molecular Optoelectronics (Final Technical Report)

The project developed new theoretical tools for analysis of nanodevices subjected to external optical and bias driving. Traditional theoretical techniques for molecular optoelectronics are either based on kinetic schemes or utilize quasiparticle description. The former fails to account for quantum mechanics of the system-bath interface and may fail qualitatively when used in open interacting systems. The latter is inconvenient in (usual for molecular optical spectroscopy) many body states description of the system. We developed a new technique - the Hubbard nonequilibrium Green's functions method - which allows to avoid shortcomings of standard theoretical approaches. The Hubbard NEGF was applied to analysis of experimental measurements of photoinduced current and bias-induced electroluminescence in STM molecular junctions. We also demonstrated practical usefulness of the Hubbard NEGF within newly proposed universal theory of current-induced forces for nonadiabatic molecular dynamics which generalizes celebrated Head-Gordon and Tully expression for electronic friction. Finally, following latest trends in laser techniques we studied local responses (local fluxes and local noise spectroscopy) of biased junctions as a source of information not accessible by total responses (total fluxes and noises) of the system.

30 DIRECT ENERGY CONVERSION↗

A Provably Accurate Randomized Sampling Algorithm for Logistic Regression

In statistics and machine learning, logistic regression is a widely-used supervised learning technique primarily employed for binary classification tasks. When the number of observations greatly exceeds the number of predictor variables, we present a simple, randomized sampling-based algorithm for logistic regression problem that guarantees high-quality approximations to both the estimated probabilities and the overall discrepancy of the model. Our analysis builds upon two simple structural conditions that boil down to randomized matrix multiplication, a fundamental and well-understood primitive of randomized numerical linear algebra. We analyze the properties of estimated probabilities of logistic regression when leverage scores are used to sample observations, and prove that accurate approximations can be achieved with a sample whose size is much smaller than the total number of observations. To further validate our theoretical findings, we conduct comprehensive empirical evaluations. Overall, our work sheds light on the potential of using randomized sampling approaches to efficiently approximate the estimated probabilities in logistic regression, offering a practical and computationally efficient solution for large-scale datasets.

Chowdhury, Agniva↗

SAM Theory Manual

The System Analysis Module (SAM) is an advanced and modern system analysis tool under development at Argonne National Laboratory for advanced non-LWR reactor safety analysis. It aims to provide fast-running, modest-fidelity, whole-plant transient analyses capabilities, which are essential for fast turnaround design scoping and engineering analyses of advanced reactor concepts. While SAM is being developed as a system-level modeling and simulation tool, advanced modeling techniques being implemented include a reduced-order three-dimensional module, pseudo 3-D conjugate heat transfer modeling in reactor core, flexible and multi-scale modeling of heat transfer between fluid and structures, in addition to the advances in software environments and design, and numerical methods. SAM aims to be a generic system-level safety analysis tool for advanced non-LWRs, including Liquid-Metal-cooled fast Reactors (LMR), Molten Salt Reactors (MSR), Fluoride-salt-cooled High- temperature Reactors (FHR), and High-Temperature Gas-cooled Reactors (HTGR). SAM takes ad- vantage of advances in physical modeling, numerical methods, and software engineering to enhance its user experience and usability. It utilizes an object-oriented computational framework (MOOSE), and its underlying meshing and finite-element library and linear and non-linear solvers, to leverage the modern advanced software environments and numerical methods. This document provides the theoretical and technical basis of the code to help users understand the underlying physical models (such as governing equations, closure models, and component models), system modeling approaches, numerical discretization and solution methods, and the overall capabilities in SAM. As new code capabilities and features are added, the SAM Theory Manual will be updated periodically to keep it consistent with the state of the development.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

SAM Theory Manual

The System Analysis Module (SAM) is an advanced and modern system analysis tool under development at Argonne National Laboratory for advanced non-LWR reactor safety analysis. It aims to provide fast-running, modest-fidelity, whole-plant transient analyses capabilities, which are essential for fast turnaround design scoping and engineering analyses of advanced reactor concepts. While SAM is being developed as a system-level modeling and simulation tool, advanced modeling techniques being implemented include a reduced-order three-dimensional module, pseudo 3-D conjugate heat transfer modeling in reactor core, flexible and multi-scale modeling of heat transfer between fluid and structures, in addition to the advances in software environments and design, and numerical methods. SAM aims to be a generic system-level safety analysis tool for advanced non-LWRs, including Liquid-Metal-cooled fast Reactors (LMR), Molten Salt Reactors (MSR), Fluoride-salt-cooled High-temperature Reactors (FHR), and High-Temperature Gas-cooled Reactors (HTGR). SAM takes advantage of advances in physical modeling, numerical methods, and software engineering to enhance its user experience and usability. It utilizes an object-oriented computational framework (MOOSE), and its underlying meshing and finite-element library and linear and non-linear solvers, to leverage the modern advanced software environments and numerical methods. This document provides the theoretical and technical basis of the code to help users understand the underlying physical models (such as governing equations, closure models, and component models), system modeling approaches, numerical discretization and solution methods, and the overall capabilities in SAM. As new code capabilities and features are added, the SAM Theory Manual will be updated periodically to keep it consistent with the state of the development.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Debiasing Watermarks for Large Language Models via Maximal Coupling

Watermarking language models is essential for distinguishing between human and machine-generated text and thus maintaining the integrity and trustworthiness of digital communication. Here, we present a novel green/red list watermarking approach that partitions the token set into “green” and “red” lists, subtly increasing the generation probability for green tokens. To correct token distribution bias, our method employs maximal coupling, using a uniform coin flip to decide whether to apply bias correction, with the result embedded as a pseudorandom watermark signal. Theoretical analysis confirms this approach’s unbiased nature and robust detection capabilities. Experimental results show that it outperforms prior techniques by preserving text quality while maintaining high detectability, and it demonstrates resilience to targeted modifications aimed at improving text quality. This research provides a promising watermarking solution for language models, balancing effective detection with minimal impact on text quality.

97 MATHEMATICS AND COMPUTING↗