Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Coded computing”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Human Liver Epithelium Response to HCoV-229E Infection Epigenomics (ACS-DP4)

The purpose of this experiment was to evaluate how wild-type Human coronavirus strain 229E (HCoV-229E) infection alters chromatin accessibility in infected cells only. Sample data was obtained for mock and infected (standard and UV-inactivated) immortalized human liver cells (HuH-7) and collected 24 hrs. post infection. Samples were processed using assay for transposase-accessible chromatin using high-throughput sequencing (ATAC-Seq) and generated bar coded library samples were evaluated for RNA sequencing (RNA-Seq) expression analysis. Processed ATAC-Seq datasets are openly accessible from the download button and contain secondary processed RNA-Seq results files and supporting metadata materials. Data download includes a sample naming key, infection titer metadata, normalized counts, and relevant computational source code information supporting data transparency and reuse.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Analysis of Spectral Lines in Large Databases of Synthetic Spectra for Massive Stars

In this paper, we describe a program that identifies in the optical spectrum the main parameters of a spectral line, namely the initial and final wavelengths, and the line depth. Moreover, using numerical calculations, it identifies and removes adjacent lines. Next, the program calculates the equivalent width and the FWHM. The software was tested in a sample of 300 lines in two databases of synthetic spectra generated by the CMFGEN and PoWR codes, and 300 lines in observed spectra from the IACOB database, showing a Gaussian distribution of relative errors, from which it is inferred that 80% of the measured lines have errors less than 17% and only 5% of the lines have errors greater than 26%. The program was also run on the entire database of 45,000 CMFGEN and 202 POWR synthetic spectra, generating a library of H i, He i, and He ii lines necessary to feed the FITspec code for the derivation of stellar parameters: effective temperature, surface gravity, and luminosity.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

SPISEA: A Python-based Simple Stellar Population Synthesis Code for Star Clusters

We present Stellar Population Interface for Stellar Evolution and Atmospheres (SPISEA), an open-source Python package that simulates simple stellar populations. The strength of SPISEA is its modular interface which offers the user control of 13 input properties including (but not limited to) the initial mass function, stellar multiplicity, extinction law, and the metallicity-dependent stellar evolution and atmosphere model grids used. The user also has control over the initial–final mass relation in order to produce compact stellar remnants (black holes, neutron stars, and white dwarfs). We demonstrate several outputs produced by the code, including color–magnitude diagrams, HR-diagrams, luminosity functions, and mass functions. SPISEA is object-oriented and extensible, and we welcome contributions from the community. The code and documentation are available on GitHub (https://github.com/astropy/SPISEA) and ReadtheDocs (https://spisea.readthedocs.io/en/latest/), respectively.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Fuel cycle depletion validation and code-to-code verification studies for High Flux Isotope Reactor highly and low-enriched uranium fuel designs

Here, this paper documents fuel cycle depletion validation and code-to-code verification studies for the High Flux Isotope Reactor (HFIR) highly enriched uranium (HEU) and proposed low-enriched uranium (LEU) fuel designs. In support of HFIR’s world-leading performance, transport and depletion simulations are performed to ensure safe operations, design and qualify irradiation experiments, enhance core components and irradiation facilities, and design and characterize LEU fuel designs. Identifying well-validated, computationally efficient codes is required for the success of these efforts. The HFIR Controller, Shift, and VESTA codes were deployed to simulate HEU uranium–oxide dispersion fuel cycles at 85, 95, and 100 MW operations, as well as LEU fuel cycles operating at 95 MW with uranium–silicide dispersion and uranium–molybdenum monolithic alloy fuel forms. Excellent agreement between the codes and with experimentally obtained 235 U enrichment distributions provides increased confidence in the ability of these codes to model and simulate HFIR’s unique core design.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Contributions to MoDELib SOFTWARE

The purpose of the current request is to enable LANL employees to contribute computer source code to the existing public repository of the MoDELib software package. This software implements discrete dislocation dynamics (DDD) and finite element (FEM) methods and is currently a vital component of an ongoing DR project at LANL, in collaboration with its original author and maintainer Giacomo Po. Contributions from LANL employees would aim to enhance the reliability, accuracy, and performance of MoDELib simulations using LANL's high performance computing platforms through bug fixes, algorithmic refinements, and parallelization.

Julian, Nicholas↗
DOE OSTI2020

H2OI95: A Stand-Alone Fortran Code for Evaluating the IAPWS-95 Equation-of-State Model for Water (Rev. 1)

H2OI95 is a stand-alone Fortran code for evaluating the IAPWS-95 equation-of-state model for the thermodynamic properties of water. It also evaluates the corresponding thermochemical properties of water consistent with the CODATA recommendations. The IAPWS-95 model is based on a model equation for the dimensionless Helmholtz energy for which the primary variables are the inverse reduced temperature (τ = T cr /T ) and reduced density (δ = ρ/ρ cr ). Here T is the absolute temperature (K), ρ is density (kg/m³), and the subscript “ cr ” refers to the critical point of water (647.096 K and 22.064 MPa pressure in this model, for which ρ cr is 322 kg/m³). The code solves four basic types of problems, distinguished by the specified inputs: 1. Temperature (K) and density (ρ kg/m³) or reduced density (δ) 2. Temperature (K) and pressure (MPa). 3. Temperature (K) on the saturation (liquid-vapor equilibrium) curve 4. Pressure (MPa) on the saturation curve. Each type of problem is run using a corresponding input (text) file. All but the first type of problem require iteration. For example, to solve for desired temperature and pressure, the reduced density must be adjusted to give the desired pressure. Iteration is accomplished using the Newton-Raphson method, though the secant method is also used in solving the fourth type of problem. For the last three types of problems, H2OI95 has been used to conduct numerical studies of convergence and the problem of multiple numerical solutions, some of which are not physically valid. Obtaining valid results depends mainly on appropriate choice of starting values for the density. The default values used in H2OI95 appear to consistently lead to generally desired results. With modification (not addressed here), H2OI95 can be used to support SUPCRT92 and similar codes that compute chemical thermodynamic properties of species and reactions over a wide range of temperature and pressure (273.16-1273K and 0-1000 MPa). Version 1.1 of this software calculates an extended set of water properties, including some derivable solely from IAPWS-95, such as the isobaric thermal expansivity and the isothermal compressibility, and still other properties based on supplementary models sanctioned by IAPWS, including the dynamic viscosity, thermal conductivity, surface tension, and static dielectric constant, and various other properties (notably Debye-Hückel parameters) derivable from the dielectric constant and its partial derivatives with respect to temperature and pressure. A coding error in Version 1.0 was identified while testing the implementation of the viscosity model. This error is described in Appendix C. It mainly affects calculation of “higher order” properties such as compressibility and heat capacity near the critical point.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

PDQ Users Manual. Manual Version 2, for PDQ Code Version 1.20

PDQ is a tool for the management of the input and execution of batch jobs for simulation codes that use a text based input system. It accomplishes this goal by operating at two levels. First, it takes input file templates (commonly known at LANL as input deck templates) and creates multiple instantiations by performing substitutions of data from table files into symbols (variables) found in the template. Second, it provides commands to submit the created files to the SLURM batch system for execution. These two activities taken together produce a whole that is greater than the sum of its parts and provides an elegant way of executing studies across multiple similar simulations while minimizing the risk of typographical errors in the input files. PDQ was originally developed as a job management system called XVS by Jeff McAninch while he was at LANL. Besides the capabilities described here, XVS had many other features specific for interactions with particular simulation codes. After Jeff’s departure, maintenance of XVS was taken over by Rendell Carver; he added some new features as well as kept it functioning as the batch system at LANL was changed from LSF to MOAB to SLURM. In 2017, Rob Pelak decided to develop a different version that removed the additional features (many of which were rendered obsolete with the retirement of the simulation code or batch system that they supported) and produced a cleaner “bare bones” version of XVS. A few other behaviors of XVS that Rob found irksome were altered. Rob gave the resulting code a new name: PDQ. In 2022 Danielle McDermott developed a version that runs under Python 3.X. As suggested by Rob, she used the python2to3 utility to identify most changes. Given that PDQ continues to operate with Python version 2.7 we have advanced the version number to 1.20.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Effective field theory for dark matter absorption on single phonons

Single phonon excitations, with energies in the 1–100 meV range, are a powerful probe of light dark matter (DM). Utilizing effective field theory, we derive a framework to compute DM absorption rates into single phonons starting from general DM-electron, proton, and neutron interactions. We apply the framework to a variety of DM models: Yukawa coupled scalars, axionlike particles with derivative interactions, and vector DM coupling via gauge interactions or Standard Model electric and magnetic dipole moments. We find that GaAs or Al 2 O 3 targets can set powerful constraints on a U ( 1 ) B − L model, and targets with electronic spin ordering are similarly sensitive to DM coupling to the electron magnetic dipole moment. Lastly, we make the code, (an extension of the existing code which computes general DM–single phonon scattering rates), publicly available. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

SAM Code Validation on Frictional Pressure Drop through Pebble Beds

The System Analysis Module (SAM) is currently under development at Argonne National Laboratory as a modern system-level modeling and simulation tool for safety analyses of advanced non-light water reactors. This report presents a recent effort to validate the capability of SAM to predict the frictional pressure drop through pebble beds. Selected experimental data were used for code validation, including data from test facilities at Texas A&M University, Missouri University of Science and Technology, and North-West University of South Africa. SAM implements three empirical correlations to predict frictional pressure drop: the classical Ergun correlation; the KTA correlation, which is widely used in high-temperature gas-cooled reactor applications; and the Eisfeld and Schnitzlein correlation, which explicitly considers wall effect. Code validation was performed using all three correlations. For all selected experimental data, the KTA correlation shows the best performance and agrees very well with experimental measurement; the Eisfeld and Schnitzlein correlation, explicitly considering wall effects, shows acceptable accuracy, while there is no evidence that it is better than the KTA correlation; the Ergun correlation, however, over-predicts frictional pressure drop for most selected data points.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Simplifying computational workflows with the Multiscale Atomic Zeolite Simulation Environment (MAZE)

Zeolites, an important class of 3-dimensional nanoporous materials, have been widely explored for a variety of applications including gas storage, separations, and catalysis. As the properties of these aluminosilicate materials depend on a number of factors (e.g., framework topology, Si/Al ratio, extra-framework cations etc.), detailed experiments (e.g., catalytic properties, adsorption capacities etc.) are often limited to only a handful of materials. Computational methods have played an important role in (1) providing molecular level insights to rationalize experimental observations, and (2) screening large libraries of zeolites to identify promising candidates for experimental synthesis and validation. Different levels of theory and computational chemistry codes are necessary to describe the range of relevant phenomena such as adsorption (e.g., grand canonical Monte Carlo), diffusion (e.g., molecular dynamics), and chemical reactions (e.g., density functional theory). Manipulation of atomic structures, handling of input files, and developing robust workflows becomes quite cumbersome. To mitigate these challenges, we describe the development of the Multiscale Atomic Zeolite Simulation Environment (MAZE) – a Python package that simplifies zeolite-specific calculation workflows by providing a user-friendly interface for systematically manipulating zeolite structures

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Zero power experiment for molten salt reactor - code verification and validation request

Molten Salt Reactors (MSRs) are one of the six perspective Generation IV nuclear technologies that should fulfil sustainability, economics, safety, and proliferation resistance goals. In recent years these concepts have attracted increased interest in research as well as in industry. In the context of developing new, innovative technology, a zero-power experiment would be an ideal option for improving the understanding of MSR systems under low-risk and low-cost conditions. The given research was focused on cross-verification of the nuclear codes for MSR modelling and simulations as required for the development of the first design of a potential facility and a draft of an experimental programme. The analysis included the evaluation of lattice and Monte Carlo codes. The study showed that all considered nuclear tools were in good agreement with each other. Although this does not mean the results will match the real experimental data, which is essential for the regulatory approval of a novel technology. Currently, experimental data is almost absent for MSR technology. Hence, a zero power experiment is needed to assure we can rely on modelling and simulation studies for further development of MSR technology and deliver real-world experiments to support the licensing of future MSRs. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

PyARC Status Report: New Integrations and Upgrades to the Fast Reactor Analysis Workflow Management Tool

PyARC was initially developed as an open source tool to support fast reactor analyses using the Argonne Reactor Computation (ARC) code suite as a part of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Workbench initiative in FY17. The goal of this initiative is to provide a common user interface for model generation, real-time validation, execution, output processing, and visualization for all integrated codes. This is accomplished through the reliance on tools available in the Workbench framework and runtime environment. While initially developed to support the ARC codes, PyARC was extended in FY22 to wrap other NEAMS and non-ARC codes, including Griffin and OpenMC, in the supported other neutronics workflows, and support users in the adoption of NEAMS-supported high fidelity analysis codes. Most recently, NUBOW-3D, a recently adopted ARC code, was integrated to support reactor bowing calculations as well. Integration of these codes into the NEAMS Workbench directly benefits the advanced reactor modeling community by: • Providing a set of controlled, maintained, documented and validated scripts to generate inputs, which promotes best practices, reduces the learning curve, and facilitates project collaboration. • Improving the user experience: the Workbench interface provides assistance for building an input through auto-completion, real-time validation, document navigation, and geometry and results visualization. • Automating complex calculations and workflows for reactor analysis. • Helping users transition to using high-fidelity NEAMS codes along-side the ARC codes. In FY22, a progress report was published that described the state of each of the tools integrated into PyARC. Since then, there have been many enhancements and upgrades to the existing integrations as well as entirely new code integrations as well. This report details all new integrations and major developments in PyARC since the version 2.0.0 release highlighted in the FY22 report.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Stationary Bragg reflection of laser light in inhomogeneous absorbing plasmas inside inertial confinement fusion Hohlraums

Laser-produced plasma in inertial confinement fusion (ICF) Hohlraums are marked with density non-uniformity whose length scale can go down to micrometers. This scale is of the order of the laser wavelength. The WKB approximation, which is classically used in radiation-hydrodynamic codes to compute the laser trajectory, cannot correctly take into account such small-scale inhomogeneity of the plasma. Going beyond this approximation, we predict a novel mechanism for the laser reflection. Here we show that an electromagnetic plane wave with wave number k resonates with the k B =2 k Fourier component of a multimode perturbation of the background density and generates a reflected wave. It is the first time that this reflection is considered for stationary inhomogeneous ICF plasmas, and the energy absorption is taken into account. This mechanism, which is a form of Bragg reflection, can occur away from the critical surface and generate a drift of the location of the laser absorption. Furthermore, this absorption will be periodically modulated with a k B wave number. The stationary Bragg reflection can explain ongoing discrepancies between experimental and numerical data about laser trajectory and absorption in ICF Hohlraums.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

DRAGraces: A Pipeline for the GRACES High-resolution Spectrograph at Gemini

This paper describes the software Data Reduction and Analysis for GRACES (DRAGraces), which is a pipeline reducing spectra from Gemini Remote Access to the CFHT ESPaDOnS Spectrograph (GRACES) at the Gemini North Telescope. The code is written in the IDL language. It is designed to find all the GRACES frames in a given directory, automatically determine the list of bias, flat, arc, and science frames, and perform the whole reduction and extraction within a few minutes. We compare the output from DRAGraces with that of the Open source Pipeline for ESPaDOnS Reduction and Analysis (OPERA), a pipeline developed at the Canada–France–Hawaii Telescope (CFHT) that also can extract GRACES spectra. Both pipelines were developed completely independently, yet they give very similar extracted spectra. They both have their advantages and disadvantages. For instance, DRAGraces is more straightforward and easy to use and is less likely to be derailed by a parameter that needs to be tweaked, while OPERA offers a more careful extraction that can be significantly superior when the highest resolution is required and when the signal-to-noise ratio is low. One should compare both before deciding which one to use for their science. Yet, both pipelines deliver a fairly comparable resolution power (R ~ 52.8k and 36.6k for DRAGraces and R ~ 58k and 40k for OPERA in high- and low-resolution spectral modes, respectively), wavelength solution, and signal-to-noise ratio per resolution element.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

A Computational Tool Compatible with NEAMS Code Packages for Optimizing the Shape of Nuclear Reactor Components and of Whole Core Performance

We designed and implemented a shape optimization tool that functions with NEAMS codes, and that nuclear scientists and engineers can employ to optimize the shape of individual components and the whole core under the applicable single- or multi-physics model comprising the employed code(s). The shape-optimization tool enables varying the geometric shape itself as well as its dimensions to yield, potentially, new component designs that are not limited by the designer’s intuition and previous experience. In cases where the optimal-shape object is an individual component, we provide the capability for additional verification that the whole-core performance using the optimized component performs better, under the prescribed optimization criteria, than the initial design. Our shape-optimization tool couples to NEAMS codes via a flexible input- composer interface and enables the user to constrain the shape’s evolution to ensure the component’s manufacturability. Finally, we demonstrate our shape-optimization tool with single- and multi-physics NEAMS codes. This objective is motivated by the recent advances in manufacturing technology that, combined with rising interest in novel reactor concepts, are creating new opportunities for innovation in the design of individual components that affect the performance of the full reactor system. In particular, Additive Manufacturing (AM) enables mass production of highly precise, intricate and complex component shapes that are not feasible with traditional manufacturing techniques. To accomplish this goal we developed and implemented in MOOSE: (1) discrete shape optimization capability based on a state-space search that uses Artificial Intelligence strategies to find the optimal state/shape; (2) smooth shape optimization tool that employs PETSc’s toolkit for advanced optimization (TAO) to optimize node-displacement of the components’ model sidesets; (3) hierarchical core optimization workflow that recognizes the repeating patterns typical in a nuclear reactor and performs the optimization one level at a time with increasing length scale. Each of these tools is equipped with user-specified constraints to avoid optimal shapes that are not manufacturable. The developed shape optimization tool is verified and demonstrated on various nuclear reactor core components and models. The optimization process accounts for tightly coupled physics that govern the behavior of these target reactors, and exercises several NEAMS codes in a coupled multiphysics fashion. The impact of the delivered shape optimization tool will materialize in the optimal design, from the outset, of advanced reactors currently contemplated to regain the US’s leadership in nuclear energy R&D. Novel reactor concepts, e.g. Molten Salt Reactors, and sizes/capacities, e.g. micro- reactors, provide a unique opportunity to optimize performance from the early stages of development, before the investment in components’ production lines, validation experiments, and licensing regimes make future improvements in performance prohibitively expensive and force sub-optimal performance on the affected reactor concept in perpetuity. This benefit will be realized by the delivered shape optimization tool regardless of the applicable manufacturing process whether traditional or AM, thereby broadening the impact of this project on current and future reactor concepts and technologies

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI1995

Nuclear Safety [Vol. 36, No. 2, July-December 1995]

Nuclear Safety is a journal that covers significant issues in the field of nuclear safety. Its primary scope is safety in the design, construction, operation, and decommissioning of nuclear power reactors worldwide and the research and analysis activities that promote this goal, but it also encompasses the safety aspects of the entire nuclear fuel cycle, including fuel fabrication, spent-fuel processing and handling, and nuclear waste disposal, the handling of fissionable materials and radioisotopes, and the environmental effects of all these activities. Table of Contents for this issue follows. THE CHORNOBYL ACCIDENT: 195 The Chornobyl Accident Revisited, Part III: Chernobyl Source Term Release Dynamics and Reconstruction of Events During the Active Phase, A. R. Sich; GENERAL SAFETY CONSIDERATIONS: 218 Second ANS Workshop on the Safety of Soviet-Designed Nuclear Power Plants, R. A. Bari; 234 Elements of a Nuclear Criticality Safety Program, C. M. Hopper; 243 Rickover, Excellence, and Criticality Safety Programs, R. E. Wilson; ACCIDENT ANALYSIS: 249 Transient Analysis of the PIUS Advanced Reactor Design with the TRAC-PF1/MOD2 Code, B. E. Boyack, J. L Steiner, S. C. Harmony, H. J. Stumpf, and J. F. Lime; 278 The Hierarchy-By-Interval Approach to Identifying Important Models that Need Improvement in Severe-Accident Simulation Codes, T. J. Heames, M. Khatib-Rahbar, J. E. Kelly, R. P. Jenks-Johnson, and Y.-S. Chen; 290 RELAP5/MOD3 Code Coupling Model, R. P. Martin; 299 Missiles Caused by Severe Pressurized-Water Reactor Accidents, R. Krieg; DESIGN FEATURES: 310 Validation of COMMIX with Westinghouse AP-600 PCCS Test Data, J. G. Sun, T. H. Chien, J. Ding, and W T. Sha; ENVIRONMENTAL EFFECTS: 321 Spent Nuclear Fuel Characterization for a Bounding Reference Assembly for the Receiving Basin for Off-Site Fuel, S. D. Kahook, R. L. Garrett, L. R. Canas, and M J. Beckum; OPERATING EXPERIENCES: 332 Reactor Shutdown Experience, Compiled by J. W. Cletcher; U.S. NUCLEAR REGULATORY COMMISSION INFORMATION AND ANALYSES: 335 Reactor Coolant System Blowdown at Wolf Creek on September 17, 1994, J. V. Kauffman and S. L. Israel; RECENT DEVELOPMENTS: 344 Reports, Standards, and Safety Guides, D. S. Oueener; 349 Proposed Rule Changes as of June 30, 1995; ANNOUNCEMENTS: 320 Symposium on Acceptability of Risk From Radiation—Application to Manned Space Flight; 320 24th DOE/NRC Nuclear Air Cleaning and Treatment Conference; 361 Radiation Biology and Radiation Protection— Modern Developments and Tendencies in Radiation Biology; 362 1997 IEEE Sixth Conference on Human Factors and Power Plants; 354 The Authors; 360 Reviewers of Nuclear Safety, Vol. 36.

05 NUCLEAR FUELS↗
DOE OSTI2020

ZND Verification Tests for Reactive Burn Models in FLAG

The ZND theory, named after Zeldovich, von Neumann, and Doering, provides a simple model for one-dimensional ideal steady-state detonation. It assumes that the detonation wave front starts with a shock that is a discontinuous jump and is followed by a finite-length reaction zone. Reactive burn (also called reactive flow) models are based on ZND theory, as they model the shock initiation and detonation process with a finite reaction rate. The ZND wave propagation test is essentially the only available test case where an analytic solution exists for verification of reactive burn models in numerical codes. However, there are extensions and variants of the ZND test that have been devised for verification of multidimensional flows. The objective of this work is to provide verification of the reactive burn models currently implemented in the Lagrangian hydrocode FLAG and investigate the influence of mesh resolution, artificial viscosity models, and the Arbitrary Lagrangian-Eulerian (ALE) Euler relaxer on the simulation results. The burn models of interest are the Wescott-Stewart-Davis (WSD) model, the Scaled Uniform Reactive Flow (SURF) model (specifically with the SURFplus model extension), and the Arrhenius shock temperature state dependent WSD (AWSD) model. Previously, Ralph Menikoff has used ZND tests for verification of the SURF and SURFplus models in the Eulerian hydrocode xRAGE. The ZND tests here are somewhat different than the approach by Menikoff. In particular, we use a piston-driven ZND detonation wave (via a prescribed constant velocity boundary condition) in a Lagrangian framework whereas Menikoff had a ZND wave followed by a invariant rarefaction wave. The xRAGE simulations were carried out on uniform grids and adaptive mesh refinement (AMR) grids. Although AMR was recently implemented in FLAG and now fully functional for 2D simulations, it will not be evaluated with ZND tests at this time. Some work has been done previously for validating the reactive burn models in FLAG. For example, the validation studies of SURF with shock-to-detonation (SDT) tests, cylinder tests, and gap-stick tests. Further validation of the AWSD, WSD, and SURF models is described in for SDT, multi-shock, cylinder, and corner-turning tests. Recently, a large parameter study with approximately twenty SDT tests was performed to validate the AWSD, WSD, SURF, and SURFplus models while also investigating mesh resolution and artificial viscosity settings. To the best of our knowledge, the current work represents the first documented verification of these burn models in FLAG. The reader should note that many of the tables and figures in this report use units of cm/g/µs, which are the default units for FLAG. However, some lengths and velocities are expressed in µm and mm/µs, respectively, which are typical units for detonation analyses.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2021

Bottomonium suppression in an open quantum system using the quantum trajectories method

We solve the Lindblad equation describing the Brownian motion of a Coulombic heavy quark-antiquark pair in a strongly coupled quark-gluon plasma using the highly efficient Monte Carlo wave-function method. The Lindblad equation has been derived in the framework of pNRQCD and fully accounts for the quantum and non-Abelian nature of the system. The hydrodynamics of the plasma is realistically implemented through a 3+1D dissipative hydrodynamics code. We compute the bottomonium nuclear modification factor and compare with the most recent LHC data. The computation does not rely on any free parameter, as it depends on two transport coefficients that have been evaluated independently in lattice QCD. Our final results, which include late-time feed down of excited states, agree well with the available data from LHC 5.02 TeV PbPb collisions.

79 ASTRONOMY AND ASTROPHYSICS↗