Results for “code review” — Page 27

DOE OSTI2019

Crystal engineering with DNA

This Review chronicles over two decades of research into creating a genetic code for crystal engineering. Rather than directing biological processes, this code uses synthetic forms of DNA to programme the assembly of nanoparticles and microparticles into 1D, 2D and 3D crystalline architectures, in which almost every aspect of the resultant structures can be systematically controlled. Within this conceptual framework, the structural and functional advances are described in an effort to define the present level of sophistication and to predict future directions of the platform. These advances include exotic structures with programmable lattice symmetries and well-defined crystal habits, responsive materials that leverage the intrinsic properties of nucleic acids to manipulate structures on demand, nanoparticle superlattices grown epitaxially from surfaces and colloidal crystals that offer insights into light–matter interactions. Looking forward, we challenge the community to leverage the extraordinary structural control afforded by crystal engineering with DNA to synthesize classes of functional materials that push beyond what has been possible with naturally occurring crystalline materials or those made by more conventional strategies.

catalysis (homogeneous), solar (photovoltaic), bio↗

DOE OSTI2011

Toward a unified description of hadro- and photoproduction amplitudes

The near-term objectives of the research program at the Data Analysis Center are established within the context of the existing partial wave analyses available through the online suite of analysis and database codes accessible through SAID, the Scattering Analysis Interactive Database. This presentation reviews the efforts to determine a model independent method to obtain sets of partial wave amplitudes for strong and electromagnetic reactions, the interpretation of the amplitudes in terms of the excited states of the nucleon, the role of new precision unpolarized and polarized data, and new developments aimed at determining the photoproduction mulitpoles in a unitary, coupled-channel approach. The Chew-Mandelstam technique is discussed and applied to the problem of the S-wave pion- and eta-photoproduction amplitudes. The resulting eta production amplitudes exhibit the expected resonant behavior near the eta production threshold. Application of this method to a unified description of the hadro- and photoproduction amplitudes is discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Electron dynamics in extended systems within real-time time-dependent density-functional theory

Due to a beneficial balance of computational cost and accuracy, real-time time-dependent density-functional theory has emerged as a promising first-principles framework to describe electron real-time dynamics. Here we discuss recent implementations around this approach, in particular in the context of complex, extended systems. Results include an analysis of the computational cost associated with numerical propagation and when using absorbing boundary conditions. Here we extensively explore the shortcomings for describing electron–electron scattering in real time and compare to many-body perturbation theory. Modern improvements of the description of exchange and correlation are reviewed. In this work, we specifically focus on the Qb@ll code, which we have mainly used for these types of simulations over the last years, and we conclude by pointing to further progress needed going forward.

2D materials↗

NASA NTRS1974

Data compression

An approach to data compression is discussed in which the effect achieved by compression is evaluated by the closeness of the approach to the minimum possible volume. An attempt is made to systematize the known results on data compression. The review contains: description of methods of data compression based on statistical coding and information theory; application of methods of interpolation and extrapolation; a specific compression method (related to description of the histogram of a sample); some criteria of effectiveness and methods of service information representation; and discussion of models suggested for theoretical analysis.

Babkin, V. F.↗

NASA NTRS1975

Crew appliance concepts. Volume 1, appendix A: Bibliography

A review of crew appliance related literature was made to provide background engineering information for development of conceptual appliance systems for the shuttle orbiter and the modular space station. From this review, a file containing abstracts of 299 appliance-related documents coded according to subject was developed along with a computerized bibliography of 682 references. Trade studies were conducted using information from these references to determine the optimum concepts to satisfy the shuttle and space station mission requirements. An appliance system was devised for each vehicle which has minimum impact to the respective environmental control system with the smallest possible weight, volume, and electrical penalty. Engineering parameters for each appliance concept considered are presented along with the total thermal and electrical loads and weight and volume penalties for each of the optimized appliance systems.

Proctor, B. W.↗

NASA NTRS1983

Measurements of heat transfer distribution over the surfaces of highly loaded turbine nozzle guide vanes

The results of an experimental study of aerodynamic (surface velocity) and heat transfer distributions over the surfaces of two different, highly loaded, low-solidity contemporary turbine vane designs are presented. The aerodynamic configurations of the two vanes were carefully selected to emphasize fundamental differences in the character of the solution surface pressure distributions and the consequent effect on surface heat transfer distributions. The experimental measurements were made in moderate-temperature, three-vane cascades under steady-state conditions. The principal independent parameters (Mach number, Reynolds number, turbulence intensity, and wall-to-gas temperature ratio) were varied over ranges consistent with actual engine operation, and the heat matrix was structured to provide an assessment of the independent influence of each parameter. These measurements are intended to serve as verification data for a parallel analytical code development effort. The results of this parallel effort are briefly reviewed, and the principal conclusions to date are summarized.

Nealy, D. A.↗

NASA NTRS1985

Discrete-ordinates finite-element method for atmospheric radiative transfer and remote sensing

The principal features of the discrete-ordinates finite-element method are reviewed, and the applicability of general-purpose discrete-ordinates codes to atmospheric radiative transfer and remote sensing problems is demonstrated. In particular, numerical results for typical problems arising in meteorology, climatology, and remote sensing are shown to be in good agreement with results from other methods and measurements. A sample two-dimensional calculation demonstrates that specific capabilities available in the discrete-ordinates code TWOTRAN can produce new results that are valuable in the characterization of atmospheric effects on remote sensing (e.g., the adjacency effect). The intrinsic limitations of the method are also considered, and it is concluded that the strengths of the discrete-ordinates finite-element method outweigh its weaknesses.

Gerstl, S. A. W.↗

NASA NTRS1988

Emerging technology for transonic wind-tunnel-wall interference assessment and corrections

Several nonlinear transonic codes and a panel method code for wind tunnel/wall interference assessment and correction (WIAC) studies are reviewed. Contrasts between two- and three-dimensional transonic testing factors which affect WIAC procedures are illustrated with airfoil data from the NASA/Langley 0.3-meter transonic cyrogenic tunnel and Pathfinder I data. Also, three-dimensional transonic WIAC results for Mach number and angle-of-attack corrections to data from a relatively large 20 deg swept semispan wing in the solid wall NASA/Ames high Reynolds number Channel I are verified by three-dimensional thin-layer Navier-Stokes free-air solutions.

Newman, P. A.↗

NASA NTRS1992

Program ELM: A tool for rapid thermal-hydraulic analysis of solid-core nuclear rocket fuel elements

This report reviews the state of the art of thermal-hydraulic analysis codes and presents a new code, Program ELM, for analysis of fuel elements. ELM is a concise computational tool for modeling the steady-state thermal-hydraulics of propellant flow through fuel element coolant channels in a nuclear thermal rocket reactor with axial coolant passages. The program was developed as a tool to swiftly evaluate various heat transfer coefficient and friction factor correlations generated for turbulent pipe flow with heat addition which have been used in previous programs. Thus, a consistent comparison of these correlations was performed, as well as a comparison with data from the NRX reactor experiments from the Nuclear Engine for Rocket Vehicle Applications (NERVA) project. This report describes the ELM Program algorithm, input/output, and validation efforts and provides a listing of the code.

Walton, James T.↗

NASA NTRS2006

Status, Plans, and Initial Results for Crew Launch Vehicle Aerodynamics

Following the completion of NASA s Exploration Systems Architecture Study in August 2004 for the NASA Exploration Systems Mission Directorate (ESMD), the Exploration Launch Office at the NASA Marshall Space Flight Center began design and development of the first vehicle in the architecture, the Crew Launch Vehicle (CLV), which will be used to launch astronauts to low earth orbit and rendezvous with either the International Space Station or the ESMD s earth departure stage for lunar missions. The primary elements of the CLV project are the first stage, the upper stage, the upper stage engine, and vehicle integration. Within vehicle integration is an effort in integrated design and analysis which is comprised of a number of technical disciplines needed to support vehicle design and development. One of the important disciplines throughout the life of the project is aerodynamics. This paper will present the status, plans, and initial results of CLV aerodynamics as the project was preparing for the CLV Systems Requirements Review. Following a status of the current activities and a discussion of the specific interactions with other technical panels, the plans for aerodynamic support of the CLV until the initial crewed flights will be presented. The paper will conclude with a review of initial results acquired since project inception, including engineering-code vehicle assessment, computational fluid dynamics analysis, and wind tunnel test data.

Huebner, Lawrence D.↗

DOE OSTI2023

The Case for and Against a Gadolinium Bias in SCALE: Round 2

The “Opening Arguments” for and against a gadolinium bias in SCALE were presented at the American Nuclear Society Annual Meeting in Philadelphia, Pennsylvania, in June, 2018. Some critical experiments included in the Oak Ridge National Laboratory Verified, Archived Library of Inputs and Data (VALID) indicate a significant bias as a function of gadolinium concentration. Other experiments indicate that no significant bias exists. The work presented here develops a larger suite of gadolinium-bearing benchmark models to further examine code, data, and benchmark performance. The new benchmark models have been reviewed for accuracy, but documentation and review for addition to the VALID library have not been completed. The problematic benchmarks included in VALID are HEU-SOL-THERM-014 and -016. These are two evaluations from a series of experiments from the Institute for Physics and Power Engineering (IPPE), Russia, documented in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook. The entire set of evaluations also includes HEU-SOL-THERM-015, -017, -018, -019, and -025. Each evaluation contains a different uranium concentration, and different configurations within each evaluation include different gadolinium concentrations. These 7 evaluations contain a total of 52 configurations and form the largest subset of experiments considered, and they allow for a more complete assessment of the performance of these benchmarks than has historically been possible using just the HEU-SOL-THERM-014 and -016 results. Additional solution experiments are considered, including MIX-SOL-THERM-006 and -007 and PU-SOL-THERM-034. MIX-SOL-THERM-007 is in the VALID library, whereas MIX-SOL-THERM-006 and PU-SOL-THERM-034 are not. The results for MIX-SOL THERM-007 have not shown a gadolinium trend. These mixed- and plutonium-fueled solutions include 28 configurations. Some experiments including solid fuel and solid gadolinium are also included. These experiments include highly enriched uranium (HEU) foils moderated with polyethylene in HEU-MET-THERM-010, -016, and -034, and low enriched uranium (LEU) pin arrays with gadolinia absorber rods in LEU-COMP THERM-036 and -043. A total 32 cases with solid fuel are included. The IPPE solution benchmarks show a fairly high degree of variability, but no clear trend as a function of gadolinium concentration can be observed. The mixed- and plutonium-fueled solutions show less variability than the HEU solutions and also no trend relative to gadolinium concentration. The solid-fueled experiments also show no trend as a function of gadolinium content. The entire set of benchmarks shows no clear trend on gadolinium content or the energy of the average neutron lethargy causing fission.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2014

Self-consistent hybrid neoclassical-magnetohydrodynamic simulations of axisymmetric plasmas

Neoclassical effects (e.g., conductivity reduction and bootstrap currents) have a profound impact on many magnetohydrodynamic (MHD) instabilities in toroidally-confined plasmas, including tearing modes, edge-localized modes, and resistive wall modes. High-fidelity simulations of such phenomena require a multiphysics code that self-consistently couples the kinetic and fluid models. We review a hybrid formulation from the recent literature AB that is appropriate for such studies. In particular, the formulation uses a set of time-dependent drift-kinetic equations (DKEs) to advance the non-Maxwellian part of the electron and ion distribution functions ( fNM ) with linearized Fokker-Planck-Landau collision operators. The form of the DKEs used were derived in a Chapman-Enskog-like fashion, ensuring that fNM carries no density, momentum, or temperature. Rather, these quantities are contained within the background Maxwellian and are evolved by a set of MHD equations which are closed by moments of fNM . We then present two DKE solvers based upon this formulation in axisymmetric toroidal geometries. The Neoclassical Ion-Electron Solver (NIES) solves the steady-state DKEs in the low-collisionality limit. Convergence and benchmark studies are discussed, providing a proof-of-principle that this new formulation can accurately reproduce results from the literature in the limit considered. We then present the DK4D code which evolves the finite-collisionality DKEs time-dependently. Computational methods used and successful benchmarks to other neoclassical models and codes are discussed. Furthermore, we couple DK4D to a reduced, transport-timescale MHD code. The resulting hybrid code is used to simulate the evolution of the current density in a large-aspect-ratio plasma in the presence of several different time-dependent pressure profiles. These simulations demonstrate the self-consistent, dynamic formation of the ohmic and bootstrap currents. In the slowly-evolving plasmas considered, these first-principle simulations are shown to verify a simpler, steady-state neoclassical model that is commonly used in transport codes. Future work will involve coupling DK4D to a spatially three-dimensional, extended MHD code, generalizing DK4D to nonaxisymmetric geometries, and simulating more quickly-evolving and realistic plasmas. The ultimate goal of this work is to perform self-consistent, hybrid simulations of complex tokamak instabilities and calculations of neoclassical toroidal viscosity. A J. J. Ramos, Phys. Plasmas 17 , 082502 (2010). B J. J. Ramos, Phys. Plasmas 18 , 102506 (2011).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

WE-F-201-00: Practical Guidelines for Commissioning Advanced Brachytherapy Dose Calculation Algorithms

With the recent introduction of heterogeneity correction algorithms for brachytherapy, the AAPM community is still unclear on how to commission and implement these into clinical practice. The recently-published AAPM TG-186 report discusses important issues for clinical implementation of these algorithms. A charge of the AAPM-ESTRO-ABG Working Group on MBDCA in Brachytherapy (WGMBDCA) is the development of a set of well-defined test case plans, available as references in the software commissioning process to be performed by clinical end-users. In this practical medical physics course, specific examples on how to perform the commissioning process are presented, as well as descriptions of the clinical impact from recent literature reporting comparisons of TG-43 and heterogeneity-based dosimetry. Learning Objectives: Identify key clinical applications needing advanced dose calculation in brachytherapy. Review TG-186 and WGMBDCA guidelines, commission process, and dosimetry benchmarks. Evaluate clinical cases using commercially available systems and compare to TG-43 dosimetry.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1996

Validation of NASA Thermal Ice Protection Computer Codes: Program Overview - Part 1

The Icing Technology Branch at NASA Lewis has been involved in an effort to validate two thermal ice protection codes developed at the NASA Lewis Research Center. LEWICE/Thermal (electrothermal deicing & anti-icing), and ANTICE (hot-gas & electrothermal anti-icing). The Thermal Code Validation effort was designated as a priority during a 1994 'peer review' of the NASA Lewis Icing program, and was implemented as a cooperative effort with industry. During April 1996, the first of a series of experimental validation tests was conducted in the NASA Lewis Icing Research Tunnel(IRT). The purpose of the April 96 test was to validate the electrothermal predictive capabilities of both LEWICE/Thermal, and ANTICE. A heavily instrumented test article was designed and fabricated for this test, with the capability of simulating electrothermal de-icing and anti-icing modes of operation. Thermal measurements were then obtained over a range of test conditions, for comparison with analytical predictions. This paper will present an overview of the test, including a detailed description of: (1) the validation process; (2) test article design; (3) test matrix development; and (4) test procedures. Selected experimental results will be presented for de-icing and anti-icing modes of operation. Finally, the status of the validation effort at this point will be summarized. Detailed comparisons between analytical predictions and experimental results are contained in the following two papers: 'Validation of NASA Thermal Ice Protection Computer Codes: Part 2- The Validation of LEWICE/Thermal' and 'Validation of NASA Thermal Ice Protection Computer Codes: Part 3-The Validation of ANTICE'

Miller, Dean↗

DOE OSTI2024

Stability optimization of energetic particle driven modes in nuclear fusion devices: the FAR3d gyro-fluid code

The development of reduced models provide efficient methods that can be used to perform short term experimental data analysis or narrow down the parametric range of more sophisticated numerical approaches. Reduced models are derived by simplifying the physics description with the goal of retaining only the essential ingredients required to reproduce the phenomena under study. This is the role of the gyro-fluid code FAR3d, dedicated to analyze the linear and nonlinear stability of Alfvén Eigenmodes (AE), Energetic Particle Modes (EPM) and magnetic-hydrodynamic modes as pressure gradient driven mode (PGDM) and current driven modes (CDM) in nuclear fusion devices. Such analysis is valuable for improving the plasma heating efficiency and confinement; this can enhance the overall device performance. The present review is dedicated to a description of the most important contributions of the FAR3d code in the field of energetic particles (EP) and AE/EPM stability. FAR3d is used to model and characterize the AE/EPM activity measured in fusion devices as LHD, JET, DIII-D, EAST, TJ-II and Heliotron J. In addition, the computational efficiency of FAR3d facilitates performing massive parametric studies leading to the identification of optimization trends with respect to the AE/EPM stability. This can aid in identifying operational regimes where AE/EPM activity is avoided or minimized. This technique is applied to the analysis of optimized configurations with respect to the thermal plasma parameters, magnetic field configuration, external actuators and the effect of multiple EP populations. In addition, the AE/EPM saturation phase is analyzed, taking into account both steady-state phases and bursting activity observed in LHD and DIII-D devices. The nonlinear calculations provide: the induced EP transport, the generation of zonal structures as well as the energy transfer towards the thermal plasma and between different toroidal/helical families. Finally, FAR3d is used to forecast the AE/EPM stability in operational scenarios of future devices as ITER, CFETR, JT60SA and CFQS as well as possible approaches to optimization with respect to variations in the most important plasma parameters.

Alfv én Eigenmodes↗

DOE OSTI2015

WE-F-201-01: Identify Key Clinical Applications Needing Advanced Dose Calculation in Brachytherapy

With the recent introduction of heterogeneity correction algorithms for brachytherapy, the AAPM community is still unclear on how to commission and implement these into clinical practice. The recently-published AAPM TG-186 report discusses important issues for clinical implementation of these algorithms. A charge of the AAPM-ESTRO-ABG Working Group on MBDCA in Brachytherapy (WGMBDCA) is the development of a set of well-defined test case plans, available as references in the software commissioning process to be performed by clinical end-users. In this practical medical physics course, specific examples on how to perform the commissioning process are presented, as well as descriptions of the clinical impact from recent literature reporting comparisons of TG-43 and heterogeneity-based dosimetry. Learning Objectives: Identify key clinical applications needing advanced dose calculation in brachytherapy. Review TG-186 and WGMBDCA guidelines, commission process, and dosimetry benchmarks. Evaluate clinical cases using commercially available systems and compare to TG-43 dosimetry.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

WE-F-201-02: Review TG-186 and WGMBDCA Guidelines, Commission Process, and Dosimetry Benchmarks

With the recent introduction of heterogeneity correction algorithms for brachytherapy, the AAPM community is still unclear on how to commission and implement these into clinical practice. The recently-published AAPM TG-186 report discusses important issues for clinical implementation of these algorithms. A charge of the AAPM-ESTRO-ABG Working Group on MBDCA in Brachytherapy (WGMBDCA) is the development of a set of well-defined test case plans, available as references in the software commissioning process to be performed by clinical end-users. In this practical medical physics course, specific examples on how to perform the commissioning process are presented, as well as descriptions of the clinical impact from recent literature reporting comparisons of TG-43 and heterogeneity-based dosimetry. Learning Objectives: Identify key clinical applications needing advanced dose calculation in brachytherapy. Review TG-186 and WGMBDCA guidelines, commission process, and dosimetry benchmarks. Evaluate clinical cases using commercially available systems and compare to TG-43 dosimetry.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

WE-F-201-03: Evaluate Clinical Cases Using Commercially Available Systems and Compare to TG-43 Dosimetry

With the recent introduction of heterogeneity correction algorithms for brachytherapy, the AAPM community is still unclear on how to commission and implement these into clinical practice. The recently-published AAPM TG-186 report discusses important issues for clinical implementation of these algorithms. A charge of the AAPM-ESTRO-ABG Working Group on MBDCA in Brachytherapy (WGMBDCA) is the development of a set of well-defined test case plans, available as references in the software commissioning process to be performed by clinical end-users. In this practical medical physics course, specific examples on how to perform the commissioning process are presented, as well as descriptions of the clinical impact from recent literature reporting comparisons of TG-43 and heterogeneity-based dosimetry. Learning Objectives: Identify key clinical applications needing advanced dose calculation in brachytherapy. Review TG-186 and WGMBDCA guidelines, commission process, and dosimetry benchmarks. Evaluate clinical cases using commercially available systems and compare to TG-43 dosimetry.

60 APPLIED LIFE SCIENCES↗