Code-to-Code Comparison for a PbLi Mixed-Convection MHD Flow
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Nuclear Science & Technology↗
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Mobile satellite business networks: A part of the European mobile system
The European Space Agency (ESA) is presently procuring an L-band payload EMS, to be embarked on the ITALSAT-2 satellite due for launch in early 1996, in order to promote a regional European mobile system. One of the Land Mobile Communication systems supported by EMS is the MSBN (Mobile Satellite Business Network) voice and data system which will offer the services of a business network on a seamless European coverage. This paper will first recall the characteristics of the MSBN system, which is based on quasi-synchronized CDMA (Code Division Multiple Access) techniques in both directions, and then describe the CDMA receivers implementation. Main validation test results will also be reported confirming predicted performances.
deMateo, M. L.↗
Validation and Independent Uncertainty Analysis of the MIX-SOL-THERM-003 ICSBEP Benchmark
The International Criticality Safety Benchmark Evaluation Project (ICSBEP) was started in 1992 by the United States Department of Energy and later in 1995 became an international project with contributions from 22 countries. The project is now organized by the OECD (Organisation for Economic Co-operation and Development) Nuclear Energy Agency (NEA). In its most recent iteration, the ICSBEP handbook contains over five thousand evaluations of critical, near-critical, and subcritical experiments conducted in facilities all around the world. These benchmarks serve as valuable information for criticality safety engineers who can use them to validate calculation techniques and establish minimum subcritical margins for operations with fissionable materials. The benchmarks in the handbook are categorized by their fissile material composition, material form (oxide, solution, or metal), and fission energy spectra. This is especially useful for those looking for benchmarks similar to a system they are working on to compare methods and identify trends. The ICSBEP Handbook Uncertainty Guide is document outlining recommended practices and methods for determining uncertainties in these benchmarks. Quantifying these uncertainties thoroughly is crucial as it allows a higher degree of confidence that data used from them is valid and relevant. The guide stresses the importance of a thorough and well documented uncertainty analysis when evaluating an experiment. All measured values of a system, whether they be dimensions or material compositions, have a certain amount of uncertainty associated with them and can be analyzed one by one to determine their effects on the system. Many evaluated benchmarks in the handbook present this in detail, however some do not, mostly earlier evaluations performed in the 1990’s and early 2000’s. Recently at Los Alamos National Laboratory (LANL), the Nuclear Criticality Safety Division (NCSD) of LANL has been validating MCNP6.2 ® input files of criticality benchmarks for use by Whisper, a criticality safety code developed at LANL. This effort is also part of the OECD NEA Working Party on International Nuclear Data Evaluation Co-operation (WPEC) Subgroup 45, also known as Validation of Nuclear Data Libraries (VaNDaL). The goal of VaNDaL is to compile a set of validated simulation inputs for use in validating nuclear data and simulation codes. As part of these efforts, one of the benchmarks reviewed was the MIX SOL-THERM-003 ICSBEP benchmark. This paper provides an independent uncertainty analysis of this benchmark experiment.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Improving the convergence rate to steady state of parabolic ADI methods
The present, residuals' L(2)-norms analysis of the rate of convergence to steady state for parabolic ADI solvers allows the prediction of the number of iterations required for convergence, as a function of the Courant number alpha. A modification of current ADI codes is presented which significantly improves the convergence rate and is insensitive to the Courant number over a large range of alpha. This corrected algorithm is tested for the cases of Dirichlet problems for uniform grids of many mesh sizes, mixed Dirichlet-Neumann problems, and problems defined on stretched grids and/or problems with variable coefficients.
Abarbanel, Saul S.↗
A Route to Design Novel Functional Peptides by Applying a Denoising Diffusional Model to mRNA Display Libraries
In vitro directed evolution techniques, such as mRNA display, enable peptide ligand discovery and optimization. However, physical libraries that rely on a genetic code can only search a small fraction of sequence space due to inherent biases in the genetic code and experimental limitations. To address this challenge, denoising diffusion implicit models (DDIMs) are applied to generate novel peptide ligands against B‐cell lymphoma extra‐large (Bcl‐x L ), a key cancer target. Starting with high‐throughput sequencing data from previous selections, a DDIM is trained to produce novel sequences with high affinity binding. Experimental validation confirms that most generated sequences are functionally equivalent to the original library members for Bcl‐x L binding and demonstrated comparable binding kinetics and affinity relative to the wildtype and nearest original neighbors. Importantly, this approach generated rare sequences not easily accessible via mutation and directed evolution. These results indicate that DDIMs can complement and expand directed evolution data, efficiently exploring underrepresented regions of sequence space. This approach provides a broadly applicable framework for accelerating ligand discovery and optimizing molecular properties across diverse targets.
Qi, Pearl [Mork Family Department of Chemical Engi↗
Community Based Data of Uranium Adsorption onto Quartz
This data upload includes a compilation of experiments for quantifying uranium adsorption onto quartz. The provided .csv file has been compiled from the literature in a findable, accessible, interoperable, reusable (FAIR) data format. This was accomplished using the Lawrence Livermore National Laboratory Surface Complexation Database Converter (SCDC) code written in the R programming language (free licensing available at https://ipo.llnl.gov/technologies/software/llnl-surface-complexation-database-converter-scdc). This constitutes all current data compiled on uranium-quartz interactions in the L-SCIE (LLNL Surface Complexation/Ion Exchange) database (as of 02/28/2022). This data was used to develop surface complexation models that fit the global community dataset (https://doi.org/10.1021/acs.est.1c07109). The FAIR-formatted dataset also enables the implementation of alternative machine-learning approaches that can be explored in the future.
54 ENVIRONMENTAL SCIENCES↗
Simulation of electrostatic turbulence due to sheared flows parallel and transverse to the magnetic field
A spatially two-dimensional electrostatic particle simulation code is used to examine the stability of a plasma equilibrium characterized by a localized transverse dc electric field and a magnetic-field-aligned electron drift for L much less than Lx, where Lx is the simulation length in the x direction and L is the scale length associated with the dc electric field. It is found that the dc electric field and the field-aligned current can together play a synergistic role to enable the excitation of electrostatic waves even when the threshold values of the field-aligned drift and the E x B drift are individually subcritical. The simulation results indicate that a broadband turbulence is associated with such an equilibrium.
Nishikawa, K.-I.↗
L–malic acid production from xylose by engineered Saccharomyces cerevisiae
L-malic acid is widely used in the food, chemical, and pharmaceutical industries. Here, we report on production of malic acid from xylose, the second most abundant sugar in lignocellulosic hydrolysates, by engineered Saccharomyces cerevisiae. To enable malic acid production in a xylose-assimilating S. cerevisiae, we overexpressed PYC1 and PYC2, coding for pyruvate carboxylases, a truncated MDH3 coding for malate dehydrogenase, and SpMAE1, coding for a Schizosaccharomyces pombe malate transporter. Additionally, both the ethanol and glycerol-producing pathways were blocked to enhance malic acid production. The resulting strain produced malic acid from both glucose and xylose, but it produced much higher titers of malic acid from xylose than glucose. Interestingly, the engineered strain had higher malic acid yield from lower concentrations (10 g L –1 ) of xylose, with no ethanol production, than from higher xylose concentrations (20 and 40 g L –1 ). As such, a fed-batch culture maintaining xylose concentrations at low levels was conducted and 61.2 g L –1 of malic acid was produced, with a productivity of 0.32 g L –1 h. Furthermore, these results represent successful engineering of S. cerevisiae for the production of malic acid from xylose, confirming that that xylose offers the efficient production of various biofuels and chemicals by engineered S. cerevisiae.
59 BASIC BIOLOGICAL SCIENCES↗
Data for L-Malic Acid Production from Xylose by Engineered Saccharomyces cerevisiae
L-malic acid is widely used in the food, chemical, and pharmaceutical industries. Here, we report on production of malic acid from xylose, the second most abundant sugar in lignocellulosic hydrolysates, by engineered Saccharomyces cerevisiae . To enable malic acid production in a xylose-assimilating S. cerevisiae , we overexpressed PYC1 and PYC2, coding for pyruvate carboxylases, a truncated MDH3 coding for malate dehydrogenase, and SpMAE1, coding for a Schizosaccharomyces pombe malate transporter. Additionally, both the ethanol- and glycerol-producing pathways were blocked to enhance malic acid production. The resulting strain produced malic acid from both glucose and xylose, but it produced much higher titers of malic acid from xylose than glucose. Interestingly, the engineered strain had higher malic acid yield from lower concentrations (10 g L‒1) of xylose, with no ethanol production, than from higher xylose concentrations (20 and 40 g L‒1). As such, a fed-batch culture maintaining xylose concentrations at low levels was conducted and 61.2 g L‒1 of malic acid was produced, with a productivity of 0.32 g L‒1 h. These results represent successful engineering of S. cerevisiae for the production of malic acid from xylose, confirming that that xylose offers the efficient production of various biofuels and chemicals by engineered S. cerevisiae .
Conversion↗
Characterization of sub-picosecond laser-produced fast electrons by modeling angularly resolved bremsstrahlung measurements with 3D hybrid particle-in-cell code
Hard x-rays produced by intense laser-produced fast electrons interacting with solids are a vital source for producing radiographs of high-density objects and implosion cores for inertial confinement fusion. Accurate calculation of hard x-ray sources requires a three-dimensional (3D) simulation geometry that fully models the electron transport dynamics, including electron recirculation and the generation of absolute photon yields. To date, 3D simulations of laser-produced bremsstrahlung photons over tens of picoseconds and code benchmarking have not been performed definitively. In this study, we characterize sub-picosecond laser-produced fast electrons by modeling angularly resolved bremsstrahlung measurements for refluxing and non-refluxing targets using the 3D hybrid particle-in-cell (PIC), Large Scale Plasma code. Bremsstrahlung radiation and escaped electron data were obtained by focusing a 50-TW Leopard laser (15 J, 0.35 ps, 2 × 10 19 W/cm 2 ) on a 100-μm-thick Cu foil and a Cu with a large plastic backing (Cu–CH target). Data for both the Cu and Cu–CH targets were reproduced for simulations with a given set of electron parameters. Comparison of the simulations revealed that the hard x-ray emission from the Cu target was significantly longer in duration than that from the Cu–CH target. Here, the benchmarked hybrid PIC code could prove to be a powerful tool in the design and optimization of time- and angular-dependent bremsstrahlung sources for flash x-ray and gamma-ray radiography.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
MONKES: a fast neoclassical code for the evaluation of monoenergetic transport coefficients in stellarator plasmas
Abstract MONKES is a new neoclassical code for the evaluation of monoenergetic transport coefficients in stellarators. By means of a convergence study and benchmarks with other codes, it is shown that MONKES is accurate and efficient. The combination of spectral discretization in spatial and velocity coordinates with block sparsity allows MONKES to compute monoenergetic coefficients at low collisionality, in a single core, in approximately one minute. MONKES is sufficiently fast to be integrated into stellarator optimization codes for direct optimization of the bootstrap current and to be included in predictive transport suites. The code and data from this paper are available at https://github.com/JavierEscoto/MONKES/ .
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Measurements of Non-Maxwellian Electron Distribution Functions and Their Effect on Laser Heating
Electron velocity distribution functions driven by inverse bremsstrahlung heating are measured to be non-Maxwellian using a novel angularly resolved Thomson-scattering instrument and the corresponding reduction of electrons at slow velocities results in a ~40% measured reduction in inverse bremsstrahlung absorption. The distribution functions are measured to be super-Gaussian in the bulk (v/v th < 3) and Maxwellian in the tail (v/v th > 3) when the laser heating rate dominates over the electron-electron thermalization rate. Furthermore, simulations with the particle code quartz show the shape of the tail is dictated by the uniformity of the laser heating.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Sierra/SolidMechanics 4.56 User's Guide: Addendum for Shock Capabilities
This is an addendum to the Sierra/SolidMechanics 4.56 User's Guide that documents additional capabilities available only in alternate versions of the Sierra/SolidMechanics (Sierra/SM) code. These alternate versions are enhanced to provide capabilities that are regulated under the U.S. Department of State's International Traffic in Arms Regulations (ITAR) export control rules. The ITAR regulated codes are only distributed to entities that comply with the ITAR export control requirements. The ITAR enhancements to Sierra/SM include material models with an energy-dependent pressure response (appropriate for very large deformations and strain rates) and capabilities for blast modeling. This document is an addendum only; the standard Sierra/SolidMechanics 4.56 User's Guide should be referenced for most general descriptions of code capability and use.
97 MATHEMATICS AND COMPUTING↗
Comprehensive Margin Assessment of the ASME Section III, Division 5, Class A Primary Load Design Rules
This report provides a comprehensive margin assessment of the ASME Section III, Division 5, Subsection HB, Subpart B rules for the design of high temperature reactor components against load controlled stress limits. These rules, often called the Code primary load design rules, provide protection against creep rupture and plastic collapse under steady conditions. The method adopted here is to compare the deterministic ASME design life, according to the primary load design rules, against the expected, statistical service life of the component, considering creep rupture as the relevant failure mode. The report provides the design margin of the ASME rules in terms of the probability of premature failure -- the probability that the component fails in service before reaching the ASME design life. To complete this assessment, the report describes the development of a statistical creep life assessment procedure accounting for variations in the component loading, material creep rate, and the material rupture time. This includes a novel method for correlating creep rupture data using a Gaussian process accounting for heat-to-heat variation in the Larson-Miller time-temperature parameter. The report applies the complete margin assessment process to quantify the design margin inherent in the ASME primary load design rules as a function of temperature for relevant component geometries and materials. The overall conclusion is that the ASME rules are conservative, providing designs with very small probability of premature failure, but some optimization of the Code design rules is possible to provide a more uniform design margin.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Solution of a large hydrodynamic problem using the STAR-100 computer
A representative hydrodynamics problem, the shock initiated flow over a flat plate, was used for exploring data organizations and program structures needed to exploit the STAR-100 vector processing computer. A brief description of the problem is followed by a discussion of how each portion of the computational process was vectorized. Finally, timings of different portions of the program are compared with equivalent operations on serial machines. The speed up of the STAR-100 over the CDC 6600 program is shown to increase as the problem size increases. All computations were carried out on a CDC 6600 and a CDC STAR 100, with code written in FORTRAN for the 6600 and in STAR FORTRAN for the STAR 100.
Weilmuenster, K. J.↗
Concatenated coding systems employing a unit-memory convolutional code and a byte-oriented decoding algorithm
Concatenated coding systems utilizing a convolutional code as the inner code and a Reed-Solomon code as the outer code are considered. In order to obtain very reliable communications over a very noisy channel with relatively small coding complexity, it is proposed to concatenate a byte oriented unit memory convolutional code with an RS outer code whose symbol size is one byte. It is further proposed to utilize a real time minimal byte error probability decoding algorithm, together with feedback from the outer decoder, in the decoder for the inner convolutional code. The performance of the proposed concatenated coding system is studied, and the improvement over conventional concatenated systems due to each additional feature is isolated.
Lee, L. N.↗
Modeling of three-dimensional mixing and reacting ducted flows
A computer code based on a finite-element solution algorithm is developed to perform an analytical investigation on the turbulent mixing and reaction of hydrogen jets injected from multiple orifices transverse and parallel to a supersonic airstream. A laser optical cavity flow field was also analyzed to demonstrate the generality of the proposed model. Computational results provide a three-dimensional description of velocity, temperature, and species-concentration fields downstream of injection. Major conclusions are that the analysis has immediate utility in evaluating the mixing effectiveness of transverse H2 injection data since it has been tested in its ability to model this type of data and that turbulent mixing length theory, constant effective Prandtl number, and a Lewis number of unity provide reasonable agreement with transverse H2 injection data downstream of the near-injection region. Efforts are presently being directed toward using the code in modeling laser and scramjet data for a wide range of flow conditions.
Zelazny, S. W.↗
Advances in data compression
A rigorous real-variables treatment of general data compression and encoding problems, centered on formulation and proof of relevant existence theorems and a unified formulation of source coding (both noiseless and with a fidelity criterion) in inaccurately or incompletely specified statistical environments. Difficulties in modeling of sources with unknown or imperfectly known statistical descriptions are analyzed and source codes (SC) are classified (variable-rate noiseless SC, fixed-rate noiseless SC) and analyzed, along with types of code sequences (weighted-universal, maximin-universal, strongly or weakly minimax-universal). Universal coding on video data, variable-rate coding with distortion, and distortion-rate functions are discussed. Design strategies for universal coding algorithms are suggested, but the article is not oriented to specific methods of synthesizing data compression systems.
Davisson, L. D.↗