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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Parallel Implicit Hydrodynamics for High Explosive Burn Calculations

High explosives in hostile environments will require calculational capabilities that model processes, which evolve on timescales from minutes to nanoseconds. Eventually the HE will begin to move metal. To handle this temporal evolution an implicit hydrodynamics coupled to the chemical release of the HE energy is required. In addition, the use of chemical kinetics to model the transition from, the initially, slow heating of a confined high explosive through to deflagration and on to detonation requires many computational zones to model high explosive engineering systems. This requirement means that a fully parallel implicit hydrodynamics is essential. In this paper we present the calculation of a nonlinear matrix equation for the advanced particle pressure that has been made parallel and implemented in our AMR code, BABBO. This new parallel implicit hydrodynamics has been applied to a cookoff problem, as well as, one and two dimensional shock problems. Results are presented and discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Parallel Implicit Hydrodynamics with Material Strength for High Explosive Burn Calculations

High explosives are almost always evolving in some form of metal containment vessel. This fact requires that a materials model for the evolution of the metal containment vessel be part of any simulation of the HE. Since the actual form of the strength model to be used is an open question, we incorporate the material strength properties in a relatively agnostic fashion, which will accommodate many strength models. The only restriction is that the stress components be a function of density, specific internal energy and velocities. In addition, the timescales and rates of the chemical reactions in the HE vary between thousands of seconds and nanoseconds. A hydrodynamics capable of operating in anticipation of the eventual violent release of energy via these chemical reactions is a necessity. The central issue in creating a hydrodynamics capable of spanning these timescales is to forgo the use of a Courant time step control necessary in an explicit hydrodynamics. The Courant time-step arises because of characteristic velocities associated with the material, such as the sound speed or, in materials with strength, characteristic longitudinal and transverse speeds associated with compression and shear. The method used to circumvent the need for a Courant time-step limit is to develop an implicit calculation of the advanced particle pressure and shear modulus derived from the conservation laws of mass, momentum and specific internal energy. This process creates the implicit hydrodynamics needed for the HE calculations of interest to this study.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Analysis of xRAGE and flag high explosive burn models with PBX 9404 cylinder tests

High explosives are energetic materials that release their chemical energy in a short interval of time. They are able to generate extreme heat and pressure by a shock driven chemical decomposition reaction, which makes them valuable tools that must be understood. This study investigated the accuracy and performance of two Los Alamos National Laboratory hydrodynamic codes, which are used to determine the behavior of explosives within a variety of systems: xRAGE which utilizes an Eulerian mesh, and FLAG with utilizes a Lagrangian mesh. Various programmed and reactive burn models within both codes were tested using a copper cylinder expansion test. The test was based on a recent experimental setup which contained the plastic bonded explosive PBX 9404. Detonation velocity versus time curves for this explosive were obtained using Photon Doppler Velocimetry (PDV). The modeled results from each of the burn models tested were then compared to one another and to the experimental results. This study validate

36 MATERIALS SCIENCE↗
DOE OSTI2017

Comparison Between Surf and Multi-Shock Forest Fire High Explosive Burn Models

PAGOSA1 has several different burn models used to model high explosive detonation. Two of these, Multi-Shock Forest Fire and Surf, are capable of modeling shock initiation. Accurately calculating shock initiation of a high explosive is important because it is a mechanism for detonation in many accident scenarios (i.e. fragment impact). Comparing the models to pop-plot data give confidence that the models are accurately calculating detonation or lack thereof. To compare the performance of these models, pop-plots2 were created from simulations where one two cm block of PBX 9502 collides with another block of PBX 9502.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Verification and Validation of High Explosive Reactive Burn Models Implemented in LANL's EAP and LAP Code Base

Reactive burn models represent a significant leap in high explosive (HE) modeling capability. The first generation of engineering models of HE detonation are called programmed burn models and they are largely based on the distance between a prescribed detonation point and each zone in a simulation. There have been many advancements to programmed burn models over the years and when the assumptions upon which they are based are met, a properly tuned programmed burn model can be highly accurate but if any of their assumptions is not met, as is the case for corner turning or weakly initiated HE burn, they will give the wrong answer. Reactive burn models represent an entirely new way of modeling HE burn. They use the local conditions of a zone – e.g. temperature, pressure or density – as calculated by a hydrocode to determine if and when the zone is going to detonate and if so, how rapidly. This difference opens up an entirely new set of capabilities for HE modeling. It makes it possible to accurately and predictively model phenomena like the effect of confinement and the formation of dead zones. Reactive burn models have seen sustained development effort at LANL for at least the last decade but several recent developments make it timely to transition reactive burn models from a research topic to a production tool. The main goal of this milestone is to facilitate and accelerate the adoption of reactive burn as a commonly available modeling option, with recommendations on the resolution that will be required and uncertainties associated with their modeling choices. To achieve this, we have performed verification, validation, and uncertainty quantification (UQ) assessments of AWSD and SURF/SURFplus in xRage and FLAG on a variety of different problems.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2020

Verification and Validation of High Explosive Reactive Burn Models Implemented in LANL's EAP and LAP Code Base (FY2020 L2 Milestone MRT 7129) [Slides]

Advanced reactive burn models enable phenomena to be modeled that aren’t possible with programmed burn. Programmed burn propagates a burn front at a prescribed speed from a prescribed initiation point. Reactive burn uses the hydro variables (pressure, temperature, etc.) to determine when, how rapidly, and to what extent a zone detonates. This enables a completely new set of problems to be simulated. Our goal in this milestone has been to improve the usability of reactive burn modes. Thus, the closure criteria are: 1. Perform code and solution verification of the reactive burn models using appropriate solutions and simplified HE setups. 2. Perform validation assessments using small-scale experiments. 3. Evaluate sensitivities and quantify uncertainties due to model form variations and mesh dependencies.

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

Physical Sciences Vistas: Issue 4 2021

In this issue of Physical Sciences Vistas we highlight examples of “excellence in nuclear security.” In this issue, highlights of our outstanding work supporting the Laboratory’s nuclear security enterprise include the following: The complete refurbishment of Sigma’s surface finishing lab. Pride in the lab’s revitalized condition on the part of the operations and R&D staff responsible for this complex operation is well justified. Development of advanced materials and processes enabling next-generation weapons designs, much of which has been facilitated by projects supported by the Laboratory Directed Research and Development Program. The use of proton radiography in illuminating elements important to validating high explosive burn models. The experimental series was a collaboration between Los Alamos researchers and staff at Lawrence Livermore and Sandia national laboratories and the United Kingdom’s Atomic Weapons Establishment. Deployment of a sophisticated remote handling unit to safely transfer highly radioactive materials required to support mission-critical projects. The skillful swap of an electrical transformer at the Los Alamos Neutron Science Center (LANSCE). The deliberate operation restored power to the accelerator in less than estimated time. A look at George Goff ’s role in translating fundamental science into applied solutions essential to the Lab’s nuclear security mission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Accuracy of High Explosive Data used for Reactive Burn Model Calibration

Reactive burn models for a high explosive (HE) have three components: an equation of state (EOS) for the products, an EOS for the reactants and a reaction rate. For the products, we discuss the uncertainty in data for the planar detonation state and its release isentrope. For the reactants, the uncertainty in the principal shock locus data is discussed. For the reaction rate, we discuss uncertainties in shock initiation data (distance-of-run to detonation as a function of shock pressure), and curvature effect data (detonation speed as a function of front curvature). An important source of uncertainty for calibrating the reaction rate for a plastic-bonded explosive (PBX) results from variations in heterogeneities; that is the mesoscale structure of HE grains, binder and porosity. This shows up in the scatter of both shock initiation data and curvature effect data with small changes in initial density and initial temperature, and systematic changes with PBX lot. As illustrative examples, we use data for the conventional HMX based PBX 9501 and the insensitive TATB based PBX 9502 since these explosives have been extensively studied and high quality data are readily available in the literature.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2025

AWSD Reactive Burn Model for High Explosive LX‐14

ABSTRACT The results of an Arrhenius–Wescott–Stewart–Davis (AWSD) reactive flow calibration for the HMX‐based high explosive LX‐14 are presented. The parameters in the AWSD model are calibrated to experimental thermodynamic and gas gun data and to computational results from thermochemical calculations. There is no experimental rate stick data available for LX‐14; therefore, scaled experimental results from other PBX‐based high explosives are used in the calibration to fill this gap in data. Strong agreement is observed between the calibrated AWSD model and experimental data for LX‐14, including validation data that were not used in the calibration procedure. The developed model more accurately describes experimental shock‐to‐detonation results compared to several other reactive flow models for LX‐14 from the literature. The presented results illustrate that the AWSD model is capable of quantitatively describing the reactive burn of LX‐14.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2018

Test Problems for Programmed Burn [Slides]

This document presents updated FLAG results for the Kenamond programmed burn test problems. Problem definition, exact solutions for constant detonation velocity, and FLAG results using a Huygens solution are provided in Kenamond’s “Lund High Explosive Programmed Burn Model in the FLAG Code” LA-UR-09-08297. FLAG results using Line-of-Sight (LOS) preconditioning of the Huygens solution are presented in Kenamond’s “Line-of-Sight (LOS) High Explosive Programmed Burn Model in the FLAG Code” LA-UR-09-08296. FLAG has an old, serial, uniform-grid “mapped” 2D DSD solver and a new, inline, parallel, conformal mesh 2D/3D DSD solver. These solvers will be exercised with flat Dn-Kappa relations to facilitate comparison with analytic solutions. The remaining slides document FLAG results with 1) Huygens, 2) Huygens with LOS, 3) old DSD, and 4) new DSD. By design, these geometries are coarsely meshed. Plotting error with respect to the analytic solutions reveals sensitivities to element type, element aspect ratio, boundary conditions, detonator timing, and discontinuous detonation velocity. In all plots of this document, color is absolute error relative to the exact solution. In all plots of this document, contours are burntime isochrones of the numerical solution.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

AWSD Reactive Burn Model for the HMX‐Based High Explosive LX‐04

An Arrhenius–Wescott–Stewart–Davis (AWSD) reactive burn model is applied to describe shock initiation and detonation properties of the HMX-based high explosive LX-04. The parameters in the model are calibrated to data from multiple sources. The thermodynamic equations of state used in the model are calibrated to a combination of thermochemical calculations for HMX and LX-04 as well as experimentally-measured cylinder expansion results for LX-04. The kinetic parameters are calibrated to velocity data from gas gun experiments performed using EDC-32—a high explosive with the same chemical composition as LX-04 but different structural properties, and scaled rate stick data for PBX 9012. The AWSD model is shown to accurately describe the shock initiation and propagation of LX-04. Very good agreement is observed between the available experimental data and the AWSD model output. The presented results constitute an accurate LX-04 reactive burn model for use in engineering-scale models and simulations.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2015

Numerical computation of Pop plot

The Pop plot — distance-of-run to detonation versus initial shock pressure — is a key characterization of shock initiation in a heterogeneous explosive. Reactive burn models for high explosives (HE) must reproduce the experimental Pop plot to have any chance of accurately predicting shock initiation phenomena. This report describes a methodology for automating the computation of a Pop plot for a specific explosive with a given HE model. Illustrative examples of the computation are shown for PBX 9502 with three burn models (SURF, WSD and Forest Fire) utilizing the xRage code, which is the Eulerian ASC hydrocode at LANL. Comparison of the numerical and experimental Pop plot can be the basis for a validation test or as an aid in calibrating the burn rate of an HE model. Issues with calibration are discussed.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2017

SURF Model Calibration Strategy

SURF and SURFplus are high explosive reactive burn models for shock initiation and propagation of detonation waves. They are engineering models motivated by the ignition & growth concept of high spots and for SURFplus a second slow reaction for the energy release from carbon clustering. A key feature of the SURF model is that there is a partial decoupling between model parameters and detonation properties. This enables reduced sets of independent parameters to be calibrated sequentially for the initiation and propagation regimes. Here we focus on a methodology for tting the initiation parameters to Pop plot data based on 1-D simulations to compute a numerical Pop plot. In addition, the strategy for tting the remaining parameters for the propagation regime and failure diameter is discussed.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2015

Shock-to-detonation transition simulations

Shock-to-detonation transition (SDT) experiments with embedded velocity gauges provide data that can be used for both calibration and validation of high explosive (HE) burn models. Typically, a series of experiments is performed for each HE in which the initial shock pressure is varied. Here we describe a methodology for automating a series of SDT simulations and comparing numerical tracer particle velocities with the experimental gauge data. Illustrative examples are shown for PBX 9502 using the HE models implemented in the xRage ASC code at LANL.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2017

Level set methods for detonation shock dynamics using high-order finite elements

Level set methods are a popular approach to modeling evolving interfaces. We present a level set ad- vection solver in two and three dimensions using the discontinuous Galerkin method with high-order nite elements. During evolution, the level set function is reinitialized to a signed distance function to maintain ac- curacy. Our approach leads to stable front propagation and convergence on high-order, curved, unstructured meshes. The ability of the solver to implicitly track moving fronts lends itself to a number of applications; in particular, we highlight applications to high-explosive (HE) burn and detonation shock dynamics (DSD). We provide results for two- and three-dimensional benchmark problems as well as applications to DSD.

finite element methods↗
DOE OSTI2022

The Wormholes Within: A Study of 1, 3, 5–Triamino–2, 4, 6–Trinitrobenzene Crystal Morphology by Micro and Nano–Scale X–Ray Computed Tomography and its Effects Upon the Shock Sensitivity of Detonation

We report that we understand heterogeneous-explosive detonation only to the extent that we can first measure the salient chemical and microstructural features. Barring an inordinate amount of trial and error, we can tailor the detonation properties of our HE formulations only to the extent that we understand (at least qualitatively) the same effects. As an insensitive high explosive, 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB) burns more heterogeneously than conventional high explosives, making its detonation properties sensitive to microstructure. The Benziger route can produce various grain morphologies depending on the amount of water used in the amination step. So-called dry-aminated (DA) TATB crystals are riddled with a void structure called wormholes, which are washed out ammonium chloride (NH4Cl) inclusions that form during synthesis. So-called wet-aminated (WA) TATB crystals do not contain NH 4 Cl inclusions but possess a very convoluted external structure. Using both micro and nano-scale CT, we explore three DA-TATB lots that reflect evolutionary processing changes, plus one WA-TATB material. Micro CT imaged crystal collections show the exterior grain structure, revealing its roughness and providing a crude particle size measurement. The DA-TATB lots that test most sensitively in the LANL ECOT corner-turning test are roughest, having the appearance of being “corroded”. Nano-scale CT reveals both internal NH 4 Cl inclusions and void structures. The DA-TATB lots that tested intermediate and high sensitivity in ECOT exhibited similar wormhole structures, which were more extensive than that of the low-sensitivity lot. The least sensitive DA-TATB lot also retained more NH 4 Cl, consistent with reduced connectivity of voids to the surface.

1, 3, 5-triamino-2,4↗