Three-dimensional upwind parabolized Navier-Stokes code for real gas flows
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Tannehill, John C.↗
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Upwind parabolized Navier-Stokes code for chemically reacting flows
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Tannehill, John C.↗
Minimal Power Latch for Single-Slope ADCs
Column-parallel analog-to-digital converters (ADCs) for imagers involve simultaneous operation of many ADCs. Single-slope ADCs are well adapted to this use because of their simplicity. Each ADC contains a comparator, comparing its input signal level to an increasing reference signal (ramp). When the ramp is equal to the input, the comparator triggers a latch that captures an encoded counter value (code). Knowing the captured code, the ramp value and hence the input signal are determined. In a column-parallel ADC, each column contains only the comparator and the latches; the ramp and code generation are shared. In conventional latch or flip-flop circuits, there is an input stage that tracks the input signal, and this stage consumes switching current every time the input changes. With many columns, many bits, and high code rates, this switching current can be substantial. It will also generate noise that may corrupt the analog signals. A latch was designed that does not track the input, and consumes power only at the instant of latching the data value. The circuit consists of two S-R (set-reset) latches, gated by the comparator. One is set by high data values and the other by low data values. The latches are cross-coupled so that the first one to set blocks the other. In order that the input data not need an inversion, which would consume power, the two latches are made in complementary polarity. This requires complementary gates from the comparator, instead of complementary data values, but the comparator only triggers once per conversion, and usually has complementary outputs to begin with. An efficient CMOS (complementary metal oxide semiconductor) implementation of this circuit is shown in the figure, where C is the comparator output, D is the data (code), and Q0 and Q1 are the outputs indicating the capture of a zero or one value. The latch for Q0 has a negative-true set signal and output, and is implemented using OR-AND-INVERT logic, while the latch for Q1 uses positive- true signals and is implemented using AND-OR-INVERT logic. In this implementation, both latches are cleared when the comparator is reset. Two redundant transistors are removed from the reset side of each latch, making for a compact layout. CMOS imagers with column-parallel ADCs have demonstrated high performance for remote sensing applications. With this latch circuit, the power consumption and noise can be further reduced. This innovation can be used in CMOS imagers and very-low-power electronics
Hancock, Bruce R.↗
Kokkos v.4.0
SAND2023-07883O Kokkos software implements C++ performance portability programming models, tools and math libraries, which enables science and engineering software developers to use single-source codes for a wide range of computer architectures. Kokkos also provides implementations of existing and proposed C++ standard features that support programming model and math libraries that are used for implementing performance-portable scientific and engineering applications. The Kokkos libraries provide algorithms, data structures, and tools to enable high-performance computing developers to write performance-portable code. Capabilities fall into three broad categories: Kokkos Core, Kokkos Kernels, and Kokkos Tools. 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.
SciDAC↗
User's guide to PMESH: A grid-generation program for single-rotation and counterrotation advanced turboprops
A detailed operating manual is presented for a grid generating program that produces 3-D meshes for advanced turboprops. The code uses both algebraic and elliptic partial differential equation methods to generate single rotation and counterrotation, H or C type meshes for the z - r planes and H type for the z - theta planes. The code allows easy specification of geometrical constraints (such as blade angle, location of bounding surfaces, etc.), mesh control parameters (point distribution near blades and nacelle, number of grid points desired, etc.), and it has good runtime diagnostics. An overview is provided of the mesh generation procedure, sample input dataset with detailed explanation of all input, and example meshes.
Warsi, Saif A.↗
Continuum Absorption Coefficient of Atoms and Ions
The rate of heat transfer to the heat shield of a Jupiter probe has been estimated to be one order of magnitude higher than any previously experienced in an outer space exploration program. More than one-third of this heat load is due to an emission of continuum radiation from atoms and ions. The existing computer code for calculating the continuum contribution to the total load utilizes a modified version of Biberman's approximate method. The continuum radiation absorption cross sections of a C - H - O - N ablation system were examined in detail. The present computer code was evaluated and updated by being compared with available exact and approximate calculations and correlations of experimental data. A detailed calculation procedure, which can be applied to other atomic species, is presented. The approximate correlations can be made to agree with the available exact and experimental data.
Armaly, B. F.↗
STAR (Simple Tool for Automated Reasoning): Tutorial guide and reference manual
STAR is an interactive, interpreted programming language for the development and operation of Artificial Intelligence application systems. The language is intended for use primarily in the development of software application systems which rely on a combination of symbolic processing, central to the vast majority of AI algorithms, with routines and data structures defined in compiled languages such as C, FORTRAN and PASCAL. References to routines and data structures defined in compiled languages are intermixed with symbolic structures in STAR, resulting in a hybrid operating environment in which symbolic and non-symbolic processing and organization of data may interact to a high degree within the execution of particular application systems. The STAR language was developed in the course of a project involving AI techniques in the interpretation of imaging spectrometer data and is derived in part from a previous language called CLIP. The interpreter for STAR is implemented as a program defined in the language C and has been made available for distribution in source code form through NASA's Computer Software Management and Information Center (COSMIC). Contained within this report are the STAR Tutorial Guide, which introduces the language in a step-by-step manner, and the STAR Reference Manual, which provides a detailed summary of the features of STAR.
Borchardt, G. C.↗
LORAN-C, an overview
LORAN-C a highly accurate radio navigation positioning system which operates at an assigned frequency of 10 kHz, and provides phase-coded pulses to develop hyperbolic time-difference lines-of-position (LOP's) was evaluated. LORAN-C provides precise time and time interval to within plus or minus 5 microseconds of UTC. The steps taken to plan, install, operate, and maintain the LORAN-C system up to the year 2000 are discussed. Topics included in the discussion were: theory of operation, timing, chain lanning, group repetition interval, coding delay versus emission delay, chain calibration, chart verification, system accuracy, signal reliability, and future developments.
Thrall, W. J.↗
Evaluation of OpenAI Codex for HPC Parallel Programming Models Kernel Generation
We evaluate AI-assisted generative capabilities on fundamental numerical kernels in high-performance computing (HPC), including AXPY, GEMV, GEMM, SpMV, Jacobi Stencil, and CG. We test the generated kernel codes for a variety of language-supported programming models, including (1) C++ (e.g., OpenMP [including offload], OpenACC, Kokkos, SyCL, CUDA, and HIP), (2) Fortran (e.g., OpenMP [including offload] and OpenACC), (3) Python (e.g., numpy, Numba, cuPy, and pyCUDA), and (4) Julia (e.g., Threads, CUDA.jl, AMDGPU.jl, and KernelAbstractions.jl). We use the GitHub Copilot capabilities powered by the GPT-based OpenAI Codex available in Visual Studio Code as of April 2023 to generate a vast amount of implementations given simple + + prompt variants. To quantify and compare the results, we propose a proficiency metric around the initial 10 suggestions given for each prompt. Results suggest that the OpenAI Codex outputs for C++ correlate with the adoption and maturity of programming models. For example, OpenMP and CUDA score really high, whereas HIP is still lacking. We found that prompts from either a targeted language such as Fortran or the more general purpose Python can benefit from adding code keywords, while Julia prompts perform acceptably well for its mature programming models (e.g., Threads and CUDA.jl). We expect for these benchmarks to provide a point of reference for each programming model's community. Overall, understanding the convergence of large language models, AI, and HPC is crucial due to its rapidly evolving nature and how it is redefining human-computer interactions.
Godoy, William↗
Toward a better thermal scattering law of (C 5 O 2 H 8 ) n : Inelastic neutron scattering and oClimax + NJOY2016
With the advancements in technology (both experimental and computational) the determination of the“true” experimental phonon spectrum became more accessible. Here a methodology for producing thermal scattering libraries from the experimental data (namely the DFT+oClimax method) for lucite (C 5 O 2 H 8 ) n is discussed. Double differential scattering cross section (DDSCS) experiments were performed at the Spallation Neutron Source of Oak Ridge National Laboratory (SNS ORNL). Novel scattering kernel evaluations, based on the phonon spectrum for (C 5 O 2 H 8 ) n ,were created using oClimax and NJOY2016 codes. In order to compare and asses the performance of the newly created library, the experimental setup was simulated using MCNP6.1. Compared to the current ENDF/B-VIII.0, the resulting RPI (C 5 O 2 H 8 ) n library improved the calculation of both double differential scattering and total scattering cross sections. A set of criticality benchmarks containing (C 5 O 2 H 8 ) n from HEU-MET-THERM resulted in an overall improved calculation of K eƒƒ . The DFT + oClimax method is shown to be the most comprehensive method for analysis of moderator materials, due to the fact that it can be verified against all data measured at VISION, ARCS and SEQUOIA neutron spectrometers at SNS ORNL, and experimental total scattering cross section measurements. This technique also provides a new technique for calculating any phonon spectrum-related quantities such as scattering law kernel, specific heat capacity, thermal conductivity, etc. for any solid state material.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Geometry and entanglement in the scattering matrix
A formulation of nucleon–nucleon scattering is developed in which the S-matrix, rather than an effective-field theory (EFT) action, is the fundamental object. Spacetime plays no role in this description: the S-matrix is a trajectory that moves between RG fixed points in a compact theory space defined by unitarity. This theory space has a natural operator definition, and a geometric embedding of the unitarity constraints in four-dimensional Euclidean space yields a flat torus, which serves as the stage on which the S-matrix propagates. Trajectories with vanishing entanglement are special geodesics between RG fixed points on the flat torus, while entanglement is driven by an external potential. The system of equations describing S-matrix trajectories is in general complicated, however the very-low-energy S-matrix –that appears at leading-order in the EFT description– possesses a UV/IR conformal invariance which renders the system of equations integrable, and completely determines the potential. In this geometric viewpoint, inelasticity is in correspondence with the radius of a three-dimensional hyperbolic space whose two-dimensional boundary is the flat torus. This space has a singularity at vanishing radius, corresponding to maximal violation of unitarity. The trajectory on the flat torus boundary can be explicitly constructed from a bulk trajectory with a quantifiable error, providing a simple example of a holographic quantum error correcting code.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
A method for predicting failure statistics for steady state elevated temperature structural components
This paper presents the initial development of a high temperature life prediction method that accounts for the variability in the material properties of Grade 91 steel. The method accounts for material variability by fitting a variable 3-parameter Weibull distribution to experimental rupture data and accounts for the variability of creep deformation on the steady-state stresses via a Monte Carlo approach. To ensure reasonable computational times, the model represents the material as an extremely viscous Stokes fluid with a non-Newtonian viscosity, therefore solving the stress relaxation problem with a steady, static, instead of transient, analysis. Furthermore, the complete statistical analysis combines this model for creep deformation with a probabilistic model for creep rupture to evaluate the probability of premature failure for a set of sample problems, comparing the predicted failure statistics to the design life predicted by the ASME Boiler and Pressure Vessel Code rules.
42 ENGINEERING↗
Predicted thermophysical properties of UN, PuN, and (U,Pu)N
Molecular dynamics and density functional theory simulations are used to predict the lattice and electronic contributions of thermophysical properties for UN, PuN, and mixed (U,Pu)N systems. The properties predicted include the lattice parameter, linear thermal expansion, enthalpy, and specific heat capacity, as a function of temperature. The simulation predictions for high temperature specific heat capacity are compared against experimental measurements to understand the behavior, and why differences in the experimental measurements are observed. The influence of adding U vacancies, N interstitials, and Pu to UN is also examined. For this, a new PuN potential parameter set is developed and used with the Kocevski UN potential, enabling the dynamics of mixed (U,Pu)N systems to be studied. How defects impact the thermophysical properties is important for understanding fuel behavior under different reactor conditions, and these mechanistic predictions can be used to support fuel performance codes where data is scarce.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Thermal energy mitigation and toroidal peaking effects in JET disruptions
Previous investigations on JET suggest half or less of plasma stored thermal energy W th is radiated (f rad,th ≲ 0.5) using either massive gas injection (MGI) or shattered pellet injection (SPI) disruption mitigation. We investigate whether the apparent incomplete f rad,th is explained by radiation peaking near the injection plume. High toroidal peaking throughout the pre-thermal quench is found in argon–deuterium MGI on JET, with typically >3× higher radiation near the injector than toroidally distant. Previously unexplained toroidal bolometry measurements in neon–deuterium SPI are reproduced with similar peaking using the Emis3D radiation analysis code. These observations align with results from Alcator C-Mod and KSTAR. This peaking is not captured by previous JET studies that found poor thermal mitigation. Two sets of neon–deuterium SPI and two sets of argon–deuterium MGI are analyzed using Emis3D. In SPI, f rad,th rises from no-plume estimates of 0.31 and 0.66 to lower bounds of 0.84 and 0.92, respectively, and f rad,th ∼ 1 is possible. In MGI, the toroidal spread of the peaking feature is poorly constrained. f rad,th up to 0.85 and 0.65 are possible using the largest possible spread, increasing from 0.42 and 0.28, although f rad,th ∼ 1 does not appear to be reached. Revised mitigation estimates on JET suggest a lower melt risk to the divertor in mitigated disruptions on ITER and SPARC than previously thought. However, peaking near injectors could increase flash melting risk on nearby plasma facing components.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
HALA: Handy Accelerated Linear Algebra
Accelerated linear algebra libraries often come with C-style of interfaces or even older Fortran77 standards, which makes it difficult to use within generic template programming environment of modern C++. For example, the BLAS and derived standards such as cuBLAS do not accept overloads and a different functions have to be called for each input type, thus it is very challenging to write a single template that handles multiple precision modes and works well with different C++ containers. HALA offers a series of templates that wrap around the BLAS/cuBLAS and other similar methods, automatically infer the relevant types and call the appropriate back-end. The templates work out-of-the-box with all C++ standard vector-like containers and can be easily extended (with template specializations) to handle user-provided containers. The HALA API is also overloaded to handle both GPU and CPU cases with a single "engine" class, thus a single high-level algorithms can utilize both CPU or GPU backends, i.e., the HALA API is unified and handles the variations between cuBLAS and BLAS. In addition to BLAS and cuBLAS, wrapper templates are provided for subset of LAPACK, cuSparse, and Cholmod methods. Work is in progress to complete as many of these standards as possible. HALA also includes a module for low-level extended register vectorization for complex number arithmetic and several simple solvers that build on the basic linear algebra capabilities. A single unified C++ API will benefit fast prototyping and easily writing code that is portable across GPU/CPU platforms as well as precision types and user containers. Note that HALA does not provide any accelerated algorithms, it simply serves as a "handy" front-end to other standards.
Stoyanov, MiroslavK.↗
Lattice Optimization for Porous Electrode
This code performs an optimization over the structure of a porous electrode formed from a lattice of unit cells. This is a steepest descent version of the code used in: V. A. Beck, J. J. Wong, C. F. Jekel, D. A. Tortorelli, S. E. Baker, E. B. Duoss and M. A. Worsley, Computational design of microarchitected porous electrodes for redox flow batteries, J. Power Sources, 2021, 512, 230453.
Wong, JonathanJ↗
Initial Development of an Improved Creep-Fatigue Design Method that Avoids the Separate Evaluation of Creep and Fatigue Damage and Eliminates the Requirement for Stress Classification
This report describes a method for capturing the effect of strain range, temperature, hold time, and elastic follow up on the cyclic life of a material undergoing uniaxial load. Developing design correlations of this type requires methods for extrapolating experimental data as a function of hold time and follow up factor. Various extrapolation methods are developed and discussed here and recommendations are developed for the final approaches to be adopted for design use. The report also describes comparisons between the new creep-fatigue design method, described here, and current creep-fatigue design methods in the ASME Boiler and Pressure Vessel Code and associated nuclear Code Cases. These comparisons demonstrate several advantages of the new method: it is easier to execute and is less over conservative than many current approaches. This report, along with a companion on extending these results to multiaxial load and on combining load cycles, represents the accumulation of several years of work on the development of this new approach to creep-fatigue design, combining an elastic perfectly plastic analysis method with simplified model tests measuring the effect of elastic follow up on creep-fatigue cyclic life. The conclusions to this report describe a path forward to developing the required design data for high temperature advanced reactor structural materials and guiding the adoption of the new method in the ASME Boiler and Pressure Vessel Code and related standards.
36 MATERIALS SCIENCE↗
Countroom Gamma Spectroscopy Library Updates
The C-NR Countroom analyzes gamma spectroscopy data using three codes, SAP (which is the combination of SPECANAL and RAYGUN), GAMANAL and UNISAMPO. The codes use libraries which are chosen by the user of gamma emission data to do the identification and quantification. The Countroom maintains nine unique libraries for use in analysis. Historically, the values contained in these libraries has not been consistently updated and many values are quite old and do not reflect the state-of-the-art.
98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗