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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Dose Rate Evaluation for the ES-3100 Package with HEU Content Using MCNP, ADVANTG, Monaco, and MAVRIC

This paper presents a comparative study of dose rate calculations for the ES-3100 package with highly enriched uranium (HEU) content for different source configurations using computer codes: (1) MCNP; (2) Automated Variance Reduction Generator (ADVANTG)/MCNP; (3) Monaco; and (4) Monaco with Automated Variance Reduction using Importance Calculations (MAVRIC). The Model ES-3100 package was developed at the Y-12 National Security Complex for domestic and international transportation of Type B fissile radioactive material. In this study, six different source configurations (i.e., solid cylinder, cylindrical hemi-shell, cylindrical shell, rectangular plate, cylindrical rod, or cylindrical segment form) having 36 kg of HEU metal inside the package containment vessel (based on configurations in the ES-3100/HEU safety analysis report for packaging) are evaluated. Dose rates at the package surfaces and 1 m from the package surfaces are calculated for these different source configurations. MCNP and Monaco cases are run without any biasing options to accelerate the convergence. Consistent Adjoint Driven Importance Sampling (CADIS) and Forward-Weighted CADIS (FW-CADIS) methods developed at the Oak Ridge National Laboratory are implemented in ADVANTG/MCNP and MAVRIC codes to accelerate the convergence. ADVANTG generates variance reduction parameters using Denovo code, and MCNP is used with the variance reduction parameters to accelerate the convergence. MAVRIC uses Denovo code to construct an importance map and a biased source distribution that are supplied to Monaco to accelerate the Monte Carlo simulation. The FW-CADIS option in ADVANTG and MAVRIC is used to accelerate the convergence in this study. The accelerated convergence cases (ADVANTG/MCNP and MAVRIC) are about 100 times faster with 100 times less particle simulation than those cases run without biasing options (analog MCNP and analog Monaco). The MCNP, ADVANTG/MCNP, Monaco, and MAVRIC calculated dose rates at the package surfaces and at 1 m from the package surfaces for the different source configurations are compared and are found to be in general agreement.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2013

Characterization of Aerodynamic Interactions with the Mars Science Laboratory Reaction Control System Using Computation and Experiment

On August 5 , 2012, the Mars Science Laboratory (MSL) entry capsule successfully entered Mars' atmosphere and landed the Curiosity rover in Gale Crater. The capsule used a reaction control system (RCS) consisting of four pairs of hydrazine thrusters to fly a guided entry. The RCS provided bank control to fly along a flight path commanded by an onboard computer and also damped unwanted rates due to atmospheric disturbances and any dynamic instabilities of the capsule. A preliminary assessment of the MSL's flight data from entry showed that the capsule flew much as predicted. This paper will describe how the MSL aerodynamics team used engineering analyses, computational codes and wind tunnel testing in concert to develop the RCS system and certify it for flight. Over the course of MSL's development, the RCS configuration underwent a number of design iterations to accommodate mechanical constraints, aeroheating concerns and excessive aero/RCS interactions. A brief overview of the MSL RCS configuration design evolution is provided. Then, a brief description is presented of how the computational predictions of RCS jet interactions were validated. The primary work to certify that the RCS interactions were acceptable for flight was centered on validating computational predictions at hypersonic speeds. A comparison of computational fluid dynamics (CFD) predictions to wind tunnel force and moment data gathered in the NASA Langley 31-Inch Mach 10 Tunnel was the lynch pin to validating the CFD codes used to predict aero/RCS interactions. Using the CFD predictions and experimental data, an interaction model was developed for Monte Carlo analyses using 6-degree-of-freedom trajectory simulation. The interaction model used in the flight simulation is presented.

Schoenenberger, Mark↗
DOE OSTI2021

CARDINAL

Cardinal is a code that automates the workflow for iteratively solving neutral particle transport via the OpenMC code and computational fluid dynamics via the NekRS code within the Multiphysics Object Oriented Simulation Environment (MOOSE), a finite element framework for solving general partial differential equations. Cardinal establishes a mapping between the Monte Carlo geometry representation used in OpenMC and the spectral element mesh used in NekRS to other physics applications built upon the MOOSE framework, allowing high-resolution particle transport and fluid dynamics physics feedback to the MOOSE application ecosystem. Heat generation rates as solved by OpenMC are used as heat sources in MOOSE, while the temperature and density fields from NekRS are used as conjugate heat transfer boundary conditions and/or source fields in MOOSE. OpenMC, Nek5000, and MOOSE are open source, community-developed simulation codes.

NOVAK, APRILJEAN RODGERS↗
DOE OSTI2017

Examples of Use of SINBAD Database for Nuclear Data and Code Validation

Benchmark experiments can serve several purposes and the availability of suitable experimental data is fundamental to ensure that modelling tools meet the requirements of nuclear industry and licensing needs. Essentially, they are used for: - validation of nuclear cross-section data, - validation of nuclear codes and models used, - qualification and training of users through benchmarking and code comparison exercises. The Shielding Integral Benchmark Archive and Database (SINBAD) project was started in the early 1990's at the OECD Nuclear Energy Agency Data Bank (NEA DB) and the Radiation Safety Information Computational Center (RSICC) as a collection of quality experiments for validating and benchmarking computer codes and data for radiation transport and shielding applications. Currently, the SINBAD database comprises over 100 benchmark compilations and evaluations of relevance to: - reactor shielding, pressure vessel dosimetry (48); - fusion blanket neutronics (31); - accelerator shielding (23). In order to facilitate their use, the data are organized in the standardized format structure. The index and the master document (called abstract) use the Hyper Text Markup Language (HTML) format with links to text files, figures, Portable Document Format (pdf) documents and computer code inputs. The format allows easy access and forward/backward navigation among the data and has proved to be suitable, general enough and above all easy (and low-cost) to maintain. In addition to the characterization of the radiation source, description of the shielding set-up, the instrumentation and the relevant detector measurements, most sets in SINBAD contain also the deterministic or Monte Carlo radiation transport computer model used for the interpretation of the experiment and, where available, results from uncertainty analysis. The set of primary documents used for the benchmark compilation and evaluation are provided in computer readable form. The database is intended for different types of users, including nuclear data evaluators, computer code developers, experiment designers and university students. SINBAD is available from the NEA Data Bank and RSICC (see https://www.oecdnea.org/science/wprs/shielding/sinbad/). Up to now several hundreds of SINBAD packages were distributed from the NEA DB and RSICC. Since 2011 the maintenance and further development of the database is coordinated in the scope of the OECD NEA Nuclear Science Committee (NSC) Working Party on Scientific Issues of Reactor Systems (WPRS) Expert Group on Radiation Transport and Shielding (EGRTS). A key objective of the group is to identify, evaluate and preserve experimental data on shielding benchmarks. The Expert Group maintains close links with the International Reactor Physics Experiment Evaluation (IRPhE) and International Criticality Safety Benchmark Evaluation (ICSBEP) projects, as well as in co-ordination with the JEFF and EFF NEA Data Bank projects and with the SATIF community of accelerator shielding specialists. In the last years, much effort was devoted to the quality review of the available benchmark information.

42 ENGINEERING↗
DOE OSTI2016

FAST-PT: a novel algorithm to calculate convolution integrals in cosmological perturbation theory

We present a novel algorithm, FAST-PT, for performing convolution or mode-coupling integrals that appear in nonlinear cosmological perturbation theory. The algorithm uses several properties of gravitational structure formation—the locality of the dark matter equations and the scale invariance of the problem—as well as Fast Fourier Transforms to describe the input power spectrum as a superposition of power laws. This yields extremely fast performance, enabling mode-coupling integral computations fast enough to embed in Monte Carlo Markov Chain parameter estimation. We describe the algorithm and demonstrate its application to calculating nonlinear corrections to the matter power spectrum, including one-loop standard perturbation theory and the renormalization group approach. We also describe our public code (in Python) to implement this algorithm. The code, along with a user manual and example implementations, is available at https://github.com/JoeMcEwen/FAST-PT.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Diagnostics for Undersampling and Clustering in Monte Carlo Criticality Calculations

For the past 40 years, it has been known from the theoretical work of Gelbard [1] and Brissenden [2] that the results from Monte Carlo (MC) criticality calculations are biased if the number of neutrons per generation is not sufficiently large. The computed k-effective eigenvalue will be lower than the actual eigenvalue, and the computed eigenfunction will be too low in high-importance regions and too high in low-importance regions. This difficulty is commonly called the undersampling problem for criticality calculations. The biases for undersampling were confirmed for practical, realistic problems with modern MC codes by Brown [3]. The solution to undersampling is simple - use a larger number of neutrons per generation to reduce the biases to levels that are negligible. Over the past few years, the OECD-NEA-WPNCS Expert Group on Advanced Monte Carlo Techniques (EGAMCT) [4,5,6] investigated an extreme form of undersampling called clustering. When the number of neutrons per generation is small, neutrons in successive generations tend to group together (cluster) due to correlations, and the clusters tend to migrate through the problem space. While the problems of undersampling and clustering are well known and well understood theoretically, there were no existing diagnostics for MC codes to determine whether a given calculation is using sufficient neutrons per generation to eliminate these problems. That is, no tools were available to diagnose biases due to undersampling or clustering. The tools described herein resolve this longstanding problem by providing 2 robust methods for detecting undersampling and clustering in MC criticality calculations. The diagnosis of undersampling and clustering is part of a larger effort to thoroughly overhaul the calculational methods for criticality problems, providing for automated sampling of the initial fission distribution, acceleration of the iteration convergence process, automated detection of convergence in the iterations and starting of the active tally cycles, and the diagnosis of undersampling. All of these new methods have been prototyped in a local modified version of mcnp6.2 [7] and tested on a variety of critical systems.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

QMCPACK

QMCPACK is an open source C++ code that runs across multiple high performance computing architectures including accelerators. It's main function is to implement several Quantum Monte Carlo method for solving the many-body Schrodinger equation.

Lopez, MatthewG↗
DOE OSTI2022

Implementation and testing of the GPT sensitivities in TRIPOLI-4

Computing the sensitivity of given reactor parameters with respect to nuclear data is mandatory in key applications such as the assessment of reactor safety or core design. In recent years, the development of Monte Carlo methods capable of estimating sensitivity coefficients based on the Standard or Generalized Perturbation Theory (SPT and GPT, respectively) has attracted intensive research efforts, especially in view of having reference golden standard simulations to be compared to faster but approximate deterministic calculations. Following our previous implementation and validation of the SPT functionalities in the Monte Carlo TRIPOLI-4, devoted to the sensitivity of the k eigenvalue, in this work we detail the development of GPT methods for ratios of reaction rates, and validate them against a few relevant benchmark results. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2014

Analytical-HZETRN Model for Rapid Assessment of Active Magnetic Radiation Shielding

The use of active radiation shielding designs has the potential to reduce the radiation exposure received by astronauts on deep-space missions at a significantly lower mass penalty than designs utilizing only passive shielding. Unfortunately, the determination of the radiation exposure inside these shielded environments often involves lengthy and computationally intensive Monte Carlo analysis. In order to evaluate the large trade space of design parameters associated with a magnetic radiation shield design, an analytical model was developed for the determination of flux inside a solenoid magnetic field due to the Galactic Cosmic Radiation (GCR) radiation environment. This analytical model was then coupled with NASA's radiation transport code, HZETRN, to account for the effects of passive/structural shielding mass. The resulting model can rapidly obtain results for a given configuration and can therefore be used to analyze an entire trade space of potential variables in less time than is required for even a single Monte Carlo run. Analyzing this trade space for a solenoid magnetic shield design indicates that active shield bending powers greater than 15 Tm and passive/structural shielding thicknesses greater than 40 g/cm2 have a limited impact on reducing dose equivalent values. Also, it is shown that higher magnetic field strengths are more effective than thicker magnetic fields at reducing dose equivalent.

Washburn, S. A.↗
DOE OSTI2019

Implementation of Doppler Broadening of the Neutron Elastic Scattering Cross Section in MCATK (U)

The ability to Doppler broaden the neutron elastic scattering cross section as a function of cell material temperature has been added to the Monte Carlo Application Toolkit (MCATK). Two different computational methods have been tested for speed and correctness. The implementation has been tested against Doppler broadened nuclear data generated using the NJOY nuclear data processing code. The implementation in MCATK compares well with the tabulated data from NJOY, typically within 0.25%. Note, version 2.0 has clarifying changes only compared to the October 2, 2012 version (LA-UR-12-25645).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Customized multi-group cross section generation with NJOY for discrete ordinates X-ray computed tomography and radiography simulation - 25589

The purpose of this work was to explore the creation of photo-atomic multi-group cross section libraries to be used with a software package DOCTORS (Discrete Ordinates Computed Tomography and Radiography Simulator). This software solves the linear Boltzmann equation using the discrete ordinates method. To create these libraries, NJOY2016 was used, creating both fine and broad energy multi-group cross section files. The cross section's accuracy was tested against an equivalent Monte Carlo simulation using MCNP6. Two simulation geometries were used. The first, a cylindrical water phantom with a single source projection placed in front, simulating an X-ray radiography. The second used the same water phantom with 16 cone beam sources placed evenly around the phantom to simulate a computed tomography (CT) scan. The accuracy of the fine energy multi-group cross sections when used in DOCTORS has been verified. The accuracy of the broad energy multigroup cross sections when used in DOCTORS shows that more work must be done before they can be used reliably. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2023

Interaction models and configurational entropies of binary MoTa and the MoNbTaW high entropy alloy

We introduce a simplified method to model the interatomic interactions of high entropy alloys based on a lookup table of cluster energies. Furthermore, these interactions are employed in replica exchange Monte Carlo simulations with histogram analysis to obtain thermodynamic properties across a broad temperature range. Kikuchi's cluster variation method entropy formalism is applied to directly calculate entropy from statistics on short- and long-range chemical order, and we discuss the convergence of the entropy as clusters of differing size are included. A high temperature series expansion aids in our understanding of the convergence. Computer codes implementing these methods, and supporting data, are freely available on the internet.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Determination of critical experiment correlations for experiments involving highly enriched uranium solutions

Quantifying the correlations among critical experiments has become a topic of interest over the last 10-15 years. The correlations arise from the shared use of fissile material, non-fissile materials, fixtures, and procedures in multiple experiments or multiple experiment series. A Monte Carlo sampling technique proposed as a viable technical method to evaluate these correlations has been implemented within the SCALE 6.2 Sampler sequence. This paper presents the investigation of the use of this new tool and technique for highly enriched uranium solution experiments. One of the first attempts to quantify the correlations among critical experiments examined a series of highly enriched solution experiments, including the HST-001 series. These correlations are included in the International Criticality Safety Benchmark Evaluation Project Handbook, and they form a basis for methodology comparisons. Results generated using the Sampler implementation are compared with these previously published results. Additional studies involving the HST-001 experiment series are also presented. A range of different assumptions of the independence of the geometry components, enrichments, and other material compositions are implemented to investigate the impact of these assumptions on the correlation coefficients. These effects are investigated with these experiments because the calculation time is shorter for the solution experiments than for the low-enriched lattice experiments discussed in a companion paper. The magnitude of the effects of different independence assumptions on the correlation coefficients is important to establish which parameters must be clearly identified as shared or unique for accurate correlation determinations. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Improved thermonuclear rate of 42 Ti( p , γ ) 43 V and its astrophysical implication in the rp process

Context. Accurate 42 Ti(p,γ) 43 V reaction rates are crucial for understanding the nucleosynthesis path of the rapid capture process (rp process) that occurs in X-ray bursts. Aims. We aim to improve the thermonuclear rates of 42 Ti(p,γ) 43 V based on more complete resonance information and a more accurate direct component, together with the recently released nuclear masses data. We also explore the impact of the newly obtained rates on the rp process. Methods. We reevaluated the reaction rate of 42 Ti(p,γ) 43 V by the sum of the isolated resonance contribution instead of the Hauser-Feshbach statistical model. We used a Monte Carlo method to derive the associated uncertainties of new rates. The nucleosynthesis simulations were performed via the NuGrid post-processing code ppn. Results. The new rates differ from previous estimations due to the use of a series of updated resonance parameters and a direct S factor. Compared with the previous results from the Hauser-Feshbach statistical model, which assumes compound nucleus 43 V with a sufficiently high-level density in the energy region of astrophysical interest, large differences exist over the entire temperature region of rp-process interest, up to two orders of magnitude. We consistently calculated the photodisintegration rate using our new nuclear masses via the detailed balance principle, and found the discrepancies among the different reverse rates are much larger than those for the forward rate, up to ten orders of magnitude at the temperature of 10 8 K. Using a trajectory with a peak temperature of 1.95×10 9 K, we performed the rp-process nucleosynthesis simulations to investigate the impact of the new rates. Our calculations show that the adoption of the new forward and reverse rates result in abundance variations for Sc and Ca of 128% and 49%, respectively, compared to the variations for the statistical model rates. On the other hand, the overall abundance pattern is not significantly affected. The results of using new rates also confirm that the rp-process path does not bypass the isotope 43 V. Conclusions. Our study found that the Hauser-Feshbach statistical model is inappropriate to the reaction rate evaluation for 42 Ti(p,γ) 43 V. The adoption of the new rates confirms that the reaction path of 42 Ti(p,γ) 43 V(p,γ) 44 Cr(β + ) 44 V is a key branch of the rp process in X-ray bursts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Shell-model studies of the astrophysical r p -process reactions S 34 ( p , γ ) Cl 35 and Cl 34 g , m ( p , γ ) Ar 35

Background: Dust grains condensed in the outflows of presolar classical novae should have been present in the protosolar nebula. Candidates for such presolar nova grains have been found in primitive meteorites and can in principle be identified by their isotopic ratios, but the ratios predicted by state-of-the-art one-dimensional hydrodynamic models are uncertain due to nuclear-physics uncertainties. Purpose: To theoretically calculate the thermonuclear rates and uncertainties of the S 34 ( p , γ ) Cl 35 and Cl 34 g , m ( p , γ ) Ar 35 reactions and investigate their impacts on the predicted 34 S/ 32 S isotopic ratio for presolar nova grains. Method: A shell-model approach in a (0 +1 ) ℏ ω model space was used to calculate the properties of resonances in the 34 S(p ,γ ) 35 Cl and 34 g,m Cl (p ,γ ) 35 Ar reactions and their thermonuclear rates. Uncertainties were estimated using a Monte Carlo method. The implications of these rates and their uncertainties on sulfur isotopic nova yields were investigated using a postprocessing nucleosynthesis code. The rates for transitions from the ground state of 34 Cl as well as from the isomeric first excited state of 34 Cl were explicitly calculated. Results: At energies in the resonance region near the proton-emission threshold, many negative-parity states appear. Energies, spectroscopic factors, and proton-decay widths are reported. The resulting thermonuclear rates are compared with previous determinations. Conclusions: The shell-model calculations alone are sufficient to constrain the variation of the 34 S/ 32 S ratios to within about 30%. Uncertainties associated with other reactions must also be considered, but in general we find that the 34 S/ 32 S ratios are not a robust diagnostic to clearly identify presolar grains made from nova ejecta.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Performance tuning of CEED software and 1st and 2nd wave apps

The goal of this milestone was the performance tuning of the CEED software, as well as the use and tuning of CEED to accelerate the first and second wave of targeted ECP applications. In this milestone, the CEED team developed optimization techniques and tuned for performance the CEED software to accelerate the first and second wave target ECP applications. Specifically, the focus was on the following: (1) Efficient use of the memory sub-system for managing data motion and interactions among different physics packages and libraries; this included integration of the new developments in a libCEED 0.5 software release; (2) Enhancing the CEED libraries with GPU and AMD GPU support in close interaction with vendors; (3) Optimal data locality and motion, and enhanced scalability and parallelism; this included vendors interactions for improvements in data motion and making strong scaling easier and more efficient; and (4) Continue boosting performance for the first-wave and second-wave of ECP target applications, including ExaSMR, ExaWind, Urban, MARBL, E3SM, and ExaAM. A main part of this milestone was the performance tuning of the CEED first-wave and second-wave ECP applications. This included the ExaSMR application – Coupled Monte Carlo Neutronics and Fluid Flow Simulation of Small Modular Reactors (ORNL), the MARBL application – Next-Gen Multi-physics Simulation Code (LLNL), and the ExaAM ExaConstit – a miniapp for the Transforming Additive Manufacturing through Exascale Simulation applications project (ExaAM), as well as ExaWind, Urban, and E3SM. The artifacts delivered include performance improvements in CEED’s 1st and 2nd wave of applications, and tuned CEED software for various architectures through a number of backends, freely available in the CEED’s repository on GitHub. See the CEED website, http://ceed.exascaleproject.org and the CEED GitHub organization, http://github.com/ceed for more details. In addition to details and results from the above R&D efforts, in this document we are also reporting on other project-wide activities performed in Q4 of FY19 including: CEED’s third annual meeting, MFEM GPU kernels scaling improvements, libCEED 0.5 and NekRS releases, an overview paper covering latest results on a set of bake-off high-order finite element problems (BPs), and other outreach efforts.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1997

An Application of the "Virtual Spacecraft" Concept in Evaluation of the Mars Pathfinder Lander Low Gain Antenna

The virtual spacecraft concept is embodied in a set of subsystems, either in the form of hardware or computational models, which together represent all, or a portion of, a spacecraft. For example, the telecommunications transponder may be a hardware prototype while the propulsion system may exist only as a simulation. As the various subsystems are realized in hardware, the spacecraft becomes progressively less virtual. This concept is enabled by JPL's Mission System Testbed which is a set of networked workstations running a message passing operating system called "TRAMEL" which stands for Task Remote Asynchronous Message Exchange Layer. Each simulation on the workstations, which may in fact be hardware controlled by the workstation, "publishes" its operating parameters on TRAMEL and other simulations requiring those parameters as input may "subscribe" to them. In this manner, the whole simulation operates as a single virtual system. This paper describes a simulation designed to evaluate a communications link between the earth and the Mars Pathfinder Lander module as it descends under a parachute through the Martian atmosphere toward the planet's surface. This link includes a transmitter and a low gain antenna on the spacecraft and a receiving antenna and receiver on the earth as well as a simulation of the dynamics of the spacecraft. The transmitter, the ground station antenna, the receiver and the dynamics are all simulated computationally while the spacecraft antenna is implemented in hardware on a very simple spacecraft mockup. The dynamics simulation is a record of one output of the ensemble of outputs of a Monte Carlo simulation of the descent. Additionally, the antenna/spacecraft mock-up system was simulated using APATCH, a shooting and bouncing ray code developed by Demaco, Inc. The antenna simulation, the antenna hardware, and the link simulation are all physically located in different facilities at JPL separated by several hundred meters and are linked via the local area network (LAN).

Pogorzelski, R. J.↗