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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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At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Bounding the Chemistry Conditions in the HM Solvent Extraction Process Criticality Safety Analyses

An approach new to the H-Canyon facility criticality safety analysis has been performed using highly detailed models of the H-Modified (HM) process mixer settlers. The HM process uses tributyl phosphate (TBP) in organic n-paraffin to extract and purify uranium from used nuclear fuel. This occurs in two cycles of counter-current solvent extraction. The aqueous stream is a weak to moderate nitric acid and the feed stock is an aqueous stream. The first Cycle, consisting of two 16-stage banks (A and B-Banks) and one 12-stage bank (C-Bank), is a three step process that separates uranium from the fuel matrix, fission products, and most of the transuranic actinide content. The first Cycle aqueous product is concentrated, adjusted for acidity and fed to the second Cycle. The second Cycle, consisting of one 16-stage bank (D-Bank) and one 12-stage bank (E-Bank), is a two-step process that further purifies the uranium and removes to a great extent remaining actinides and fission products Each stage of the mixer settler banks is modeled as three unique compositions: the mixer as a combined composition of aqueous and organic components and the settler one aqueous and one organic component. This work addresses what is believed to be normal, credible abnormal, and beyond credible abnormal conditions for a particular postulated series of process parameter upsets. The level of detail and the source for the stage-wise compositions are both new and unique to criticality safety analyses of the HM process. Initial work was presented in Ref. 1 and has since been refined. A predictive chemistry model for flowsheet development has been used to solve the solvent extraction equations for the prescribed conditions and the output of that model was then transformed into compositions for each mixture in each stage. The remaining question upon which to achieve consensus is if the approach was appropriately conservative by concluding the chemistry is appropriately bounded. Computational modeling for criticality calculations was performed using KENO-VI in the SCALE 6.1 code package. Computational modeling of the chemistry was performed using the SEPHIS Modification 4 code.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Radiolytic Gas Bubbles' Model and its Application to AHR's Transient Neutronics Analysis

Aqueous Homogeneous Reactor (AHR) receives much attention recently because its advantages in medical isotopes production. Fissile material and moderator is mixed in the fuel solution, leads to big negative feedback and generation of radiolytic gas bubbles; the fluidity of fuel and movement of bubbles bring out big challenge of the neutronics analysis methods. This paper aims to establish a reliable and effective gas bubbles' model, firstly a coupled Neutronics-CFD method is introduced to recognize gas bubbles' behavior characteristics, then it is simplified into mathematical expression and applied to Transient Calculation Code of Aqueous Homogeneous Reactor (TCCAHR), finally a typical AHR's transient process is simulated and compared with the experiment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2014

A Coupled Fluid-Structure Interaction Analysis of Solid Rocket Motor with Flexible Inhibitors

A capability to couple NASA production CFD code, Loci/CHEM, with CFDRC's structural finite element code, CoBi, has been developed. This paper summarizes the efforts in applying the installed coupling software to demonstrate/investigate fluid-structure interaction (FSI) between pressure wave and flexible inhibitor inside reusable solid rocket motor (RSRM). First a unified governing equation for both fluid and structure is presented, then an Eulerian-Lagrangian framework is described to satisfy the interfacial continuity requirements. The features of fluid solver, Loci/CHEM and structural solver, CoBi, are discussed before the coupling methodology of the solvers is described. The simulation uses production level CFD LES turbulence model with a grid resolution of 80 million cells. The flexible inhibitor is modeled with full 3D shell elements. Verifications against analytical solutions of structural model under steady uniform pressure condition and under dynamic condition of modal analysis show excellent agreements in terms of displacement distribution and eigen modal frequencies. The preliminary coupled result shows that due to acoustic coupling, the dynamics of one of the more flexible inhibitors shift from its first modal frequency to the first acoustic frequency of the solid rocket motor.

Yang, H. Q.↗
DOE OSTI2014

A Code of Radiation Damage by Gamma - Paper 62

In recent years, the study of radiation damage of materials has seen a thrust because of the expectation of the high rate of radiation damage in fusion reactors, accelerator driven sub critical systems and damage of a control system of space vehicles by the high energy neutrons and gamma showers. Embrittlement of reactor vessels, corrosion of steel and swelling of fuel rods are the well known empirical examples of severe radiation damage. It is also realized that damage by high energy gammas is in no way insignificant, and it is equivalent to the damage by the neutrons. Secondly, value addition of certain materials like enhancement of electrical resistance, mechanical strength, color enhancement of precious stones on irradiation by neutrons and gammas and polymerization in the presence of gamma radiation add to the necessity of a Monte Carlo (MC) code of radiation damage in a wide range of energy. The JAIPU code, for the study of radiation damage by neutrons up to 10 MeV energy, incorporates features like development of secondary atomic cascade and PKA energy corrected for the ionization lose and production of Frenkel pair. MC estimation of both the primary and secondary displacements has been compared with the Frenkel pairs calculated using the NRT model. In the present work, JAIPU code is extended for irradiation of materials by high energy gammas. Here cascade generated by the incident gamma produces electrons by way of photo-electric, Compton and pair production until it is absorbed. The recoiled Frenkel pairs produced in electron + atom collision have been considered for the purpose of atomic cascade. Standard cross section libraries for gamma and electron interaction are used while for atom + atom collision we have made use of the IOTA code. In addition, in the code, the lattice structure of the irradiated material is simulated to know the positions of the photon interactions with atoms and the energy of electron it adds an extra feature of the position and size of the voids and the clusters produced on irradiation. The code has the possibility of calculation of 'absorbed radiation dose' and 'KERMA' and the interatomic distances of the displaced atoms. It may be pointed out that the code uses only the MC simulation of the number of displacements unlike several other approaches where the NRT model with PKA energy is used for gross estimation of the number of the displaced atoms. Thus, the code keeps an account of the positions of displaced atoms for the in-depth modification of the irradiated material. 1 MeV gamma seems to damage Fe up to several millimeters of its depth and this is mostly by the recoiled Compton electrons than photo electrons. The code is in the developmental stage and it has the capability of applications in the developing field of Radiology besides the shielding and other studies of radiation damage. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2015

Simulation of the properties of MgO-MgfCl{sub 2}-H{sub 2}O system by thermodynamic method

Magnesium oxychloride cement (MOC) has been investigated by many researchers who have studied its hydration products and properties. Previous works mainly concentrated on experimental studies. This study uses a thermodynamic approach to understand the formation conditions of two major hydration products of MOC, Mg{sub 3}(OH){sub 5}Cl · 4H{sub 2}O (phase 5) and Mg{sub 2}(OH){sub 3}Cl · 4H{sub 2}O (phase 3) at room temperature. The hydration reaction equilibrium of MOC phases has been predicted by using the geochemistry speciation code PHREEQC together with the extended ‘Pitzer.dat’ database. The results show that the formation of the hydration products are controlled by MgCl{sub 2} concentration, activity of H{sub 2}O and pH values of the system. The equilibrium of solid phase diagram, the solubility of different hydration phases are consistent with those results obtained from experimental studies, which validates the thermodynamic model. The phase diagram provides qualitative insights on the synthesis of pure phase 3 and phase 5. For MgO-MgCl{sub 2}-H{sub 2}O system, the minimum MgCl{sub 2} concentration for phase 5 and phase 3 to form are 1.47 mol · kg{sup −} {sup 1} and 2.25 mol · kg{sup −} {sup 1}, respectively. Increasing water volume can result in the transformation from phase 5 and phase 3 to brucite. Additionally, the stability analysis suggests that phase 5 prefers to formation at a higher condition of the a{sub Mg}2 +, pH and a{sub H2O} as compared to the phase 3. Phosphate can significantly influence the hydration products composition of MOC during hydration but no new phosphate appears. - Highlights: • A thermodynamic database was established for magnesium oxychloride cement system on the basis of Pitzer.dat. • Thermodynamic behaviors of magnesium oxychloride cement hydration was modeled. • Calculated phase diagram of magnesium oxychloride cement was plotted.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Multifractal moments in heavy ion Pb-Pb collisions at 158 A GeV

In present work, we use the method of scaled factorial moments to search for intermittent behavior in Pb-Pb interactions at 158 A GeV. The analysis is done on photon distributions obtained using preshower photon multiplicity detector. Scaled factorial moments are used to study short range fluctuations in pseudorapidity distributions of photons. Scaled factorial moments are calculated using horizontal corrected and vertical analysis. The results are compared with simulation analysis using VENUS event generator.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Selection of Sampling and Surrogate Modeling Methods for State-Point Evaluations of an AGN-201M Reactor

Nuclear reactor digital twins (DTs) have been proposed for use as a safeguards technology to efficiently monitor new and novel reactors as they come online. A safeguards DT needs to be capable of detecting misuse and diversion as they occur, requiring physics models to be accurate and efficient. Mathematical surrogate models are capable of achieving the necessary efficiency and can largely maintain the accuracy of higher-order models given a quality training sample. The Multiphysics Object-Oriented Simulation Environment (MOOSE) code framework is specifically equipped to generate training samples and create surrogate models using full-order reactor physics models. Utilizing an operational AGN-201M reactor’s specifications, two surrogate types were trained on samples of variable size, and using Cartesian products, Latin hypercube sampling, and quadrature sampling, each was compared and evaluated on accuracy when compared to a full-order Monte Carlo model. Both surrogate types were able to capture reactivity changes within 0.05 $ of the Monte Carlo model while reducing the computation costs by eight orders of magnitude.

MOOSE↗
DOE OSTI2017

Cymer Extreme Ultraviolet Light (EUV) Source Final Report CRADA No. TC02195.0

This was a collaborative effort between Lawrence Livermore National Security, LLC as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Cymer, LLC, an ASML company to develop laser-produced plasma extreme ultraviolet (EUV) light source technology. The technical objectives of this CRADA project were to optimize the brightness of Cymer’s current EUV source, and develop future higher output power and more efficient EUV source designs to intercept and enable the semiconductor industry’s technology roadmap. Progress toward these goals is guided by Cymer based upon its ongoing EUV research and product development, accelerated through collaborative interactions between Cymer and LLNL. This research combines Cymer’s design and execution of experiments with LLNL’s modeling, simulation and analysis. Through work on these goals, the validated operating range for LLNL’s laser-plasma interaction modeling and simulation codes was expanded.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Active Interrogation using Photofission Technique for Nuclear Materials Control and Accountability

Innovative systems with increased sensitivity and resolution are in great demand to detect diversion and to prevent misuse in support of nuclear materials management for the U.S. fuel cycle. Nuclear fission is the most important multiplicative process involved in non-destructive active interrogation. This process produces the most easily recognizable signature for nuclear materials. In addition to thermal or high-energy neutrons, high-energy gamma rays can also excite a nucleus and cause fission through a process known as photofission. Electron linear accelerators (linacs) are widely used as the interrogating photon sources for inspection methods involving photofission technique. After photofission reactions, prompt signals are much stronger than the delayed signals, but it is difficult to quantify them in practical measurements. Delayed signals are easily distinguishable from the interrogating radiation. Linac-based, advanced inspection techniques utilizing the delayed signals after photofission have been extensively studied for homeland security applications. Previous research also showed that a unique delayed gamma ray energy spectrum exists for each fissionable isotope. In this work, high-energy delayed γ-rays were demonstrated to be signatures for detection, identification, and quantification of special nuclear materials. Such γ-rays were measured in between linac pulses using independent data acquisition systems. A list-mode system was developed to measure low-energy delayed γ-rays after irradiation. Photofission product yields of 238 U and 239 Pu were determined based on the measured delayed γ-ray spectra. The differential yields of delayed γ-rays were also proven to be able to discriminate nuclear from non-nuclear materials. The measurement outcomes were compared with Monte Carlo simulation results. It was demonstrated that the current available codes have capabilities and limitations in the simulation of photofission process. A two-fold approach was used to address the high-rate challenge in used nuclear fuel assay based on photofission technique. First, a standard HPGe preamplifier was modified to improve its capabilities in high-rate pulsed photofission environment. Second, advanced pulse processing algorithms were shown to greatly improve throughput rate without large sacrifice in energy resolution at ultra-high input count rate. Two customized gamma spectroscopy systems were also developed in real-time on FPGAs. They were shown to have promising performance matching available commercial units.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Accelerator-Driven Subcritical System for Disposing of the U.S. Spent Nuclear Fuel Inventory

The current United States inventory of the spent nuclear fuel (SNF) is ~80,000 metric tons of heavy metal (MTHM), including ~131 tons of minor actinides (MAs) and ~669 tons of plutonium. This study describes a conceptual design of an accelerator-driven subcritical (ADS) system for disposing of this SNF inventory by utilizing the 131 tons of MAs inventory and a fraction of the plutonium inventory for energy production, and transmuting some long-lived fission products. An ADS system with a homogeneous subcritical fission blanket was first examined. A spallation neutron source is used to drive the blanket and it is produced from the interaction of a 1-GeV proton beam with a lead-bismuth eutectic (LBE) target. The blanket has a liquid mobile fuel using LBE as the fuel carrier. The fuel materials are dissolved, mixed, or suspended in the liquid fuel carrier. Monte Carlo analyses were performed to determine the overall parameters of the concept. Steady-state Monte Carlo simulations were performed for three similar fission blankets. Except for, the loaded amount of actinide materials in the LBE is either 5, 7, or 10% of the total volume of the blanket, respectively. The neutron multiplication factors of the three blankets are ~0.98 and the initial MAs blanket inventories are ~10 tons. In addition, Monte Carlo burnup simulations using the MCB5 code were performed to analyze the performance of the three conceptual ADS systems. During operation, fresh fuel was fed into the fission blanket to adjust its reactivity and to control the system power. The burnup analysis shows that the three ADS concepts consume about 1.2 tons of actinides per full power year and produce 3 GW thermal power, with a proton beam power of 25 MW. For the blankets with 5, 7, or 10% actinide fuel particles loaded in the LBE, assuming that the ADS systems can be operated for 35 full-power years, the total MA materials consumed in the three ADS systems are about 30.6, 35.3, and 37.2 tons, respectively. Thus, the corresponding numbers of ADS systems to utilize the 131 tons of MA materials of the SNF inventory are 4.3, 3.7, or 3.5, respectively. ADS concepts with tube bundles inserted in the fission blanket were analyzed to overcome the disadvantages of the homogeneous blanket concept. The liquid lead is used as the target material, the mobile fuel carrier, and the primary coolant to avoid the polonium production from bismuth. Reactor physics and thermal-hydraulic analyses were coupled to determine the parameters of the heterogeneous fission blanket. The engineering requirements for a satisfactory operation performance of the HT-9 ferritic steel structure material have been realized. Two heterogeneous concepts of the subcritical fission blanket with the liquid lead mobile fuel inside or outside the tube bundles were considered. The heterogeneous configuration with the mobile fuel inside the tubes showed better performance than the configuration with mobile fuel outside the bundle tubes. The Monte Carlo burnup codes, MCB5 and SERPENT were both used to simulate the fuel burnup in the ADS concepts with the mobile fuels inside the tubes. The burnup analyses were carried out for 35 full power years. The results show that 5 ADS systems can dispose of the total United States inventory of the spent nuclear fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Cosmological neutrino simulations at extreme scale

Constraining neutrino mass remains an elusive challenge in modern physics. Precision measurements are expected from several upcoming cosmological probes of large-scale structure. Achieving this goal relies on an equal level of precision from theoretical predictions of neutrino clustering. Numerical simulations of the non-linear evolution of cold dark matter and neutrinos play a pivotal role in this process. We incorporate neutrinos into the cosmological N-body code CUBEP3M and discuss the challenges associated with pushing to the extreme scales demanded by the neutrino problem. We highlight code optimizations made to exploit modern high performance computing architectures and present a novel method of data compression that reduces the phase-space particle footprint from 24 bytes in single precision to roughly 9 bytes. We scale the neutrino problem to the Tianhe-2 supercomputer and provide details of our production run, named TianNu, which uses 86% of the machine (13,824 compute nodes). With a total of 2.97 trillion particles, TianNu is currently the world’s largest cosmological N-body simulation and improves upon previous neutrino simulations by two orders of magnitude in scale. We finish with a discussion of the unanticipated computational challenges that were encountered during the TianNu runtime.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2023

A Summary of Structural Test and Simulation Results for Hawker 4000 Composite Fuselage Hardware

NASA Langley Research Center (LaRC) was able to obtain a partially fabricated Hawker Beechcraft Model 4000 (Hawker 4000) aft aircraft section to use for study. The Hawker 4000 is a medium sized business jet (14 Code of Federal Regulations Part 25 – Transport Category Aircraft) with seating for 8 to 14 people and fabricated out of carbon composite. The Hawker 4000 was designed in the early 2000s to compete with Gulfstream and Bombardier business jet units. The Hawker Beechcraft business unit declared bankruptcy in 2012, and abruptly halted production of the 4000 series aircraft. As a result, only 73 full production aircraft were built. This all-composite aft fuselage section was an ideal candidate to utilize for investigations of composite structures undergoing dynamic loading in order to satisfy NASA Revolutionary Vertical Lift Technology (RVLT) project objectives. Thus, a team at NASA LaRC embarked on a test and simulation program in late 2021 in order to generate test data of composite structures undergoing dynamic loading conditions. As a part of these investigations, methods including reverse engineering the geometry, conducting as-fabricated materials testing and using non-destructive evaluation (NDE) techniques such as ultrasonic through transmission were utilized in order to develop digital twin finite element models for use in computational simulations.

dynamic composite testing↗
DOE OSTI2023

CORPSE model with litter decomposition parameters derived from the LIDET dataset

This is a version of the CORPSE model (Carbon, Organisms, Rhizosphere and Protection in the Soil Environment, Sulman et al. 2014) that uses litter decomposition parameters derived from a modified Monte Carlo simulation using the LIDET litter decomposition dataset (Long-term Intersite Decomposition Experiment Team, Harmon 2013). The code also includes the Baseline parameters, and the eight other best parameter sets identified in a modified Monte Carlo simulation. Related publication:Juice, S.M., Ridgeway, J.R., Hartman, M.D., Parton, W.J., Berardi, D.M., Sulman, B.N., Allen, K.E., & Brzostek, E.R. Reparameterizing litter decomposition using a simplified Monte Carlo method improves litter decay simulated by a microbial model and alters bioenergy soil carbon estimates. Description of files:The folder "Input Files" contains one folder for each LIDET site with data necessary to run the model. Note that "(site)" in the filenames below indicates where the LIDET site code appears (see Table 1 for site codes). Data streams include: CORPSE_full_spinup_litter.csv, CORPSE_full_spinup_rhizo.csv, CORPSE_full_spinup_bulk.csv, litterbag_init_100g_6spp.csv: initial C and N (kg C or N/m2) pool values for each soil layer, the litterbag_init_100_6spp.csv file is for the litterbag layer and is the same file for all sites. All initial C and N files have the same columns (Column - Description - Units) uFastC - Unprotected fast decomposing carbon - kg carbon/m2 uSlowC - Unprotected slow decomposing carbon - kg carbon/m2 uNecroC - Unprotected necromass carbon - kg carbon/m2 pFastC - Protected fast decomposing carbon - kg carbon/m2 pSlowC - Protected slow decomposing carbon - kg carbon/m2 pNecroC - Protected necromass carbon - kg carbon/m2 livingMicrobeC - Carbon in living microbial biomass - kg carbon/m2 uFastN - Unprotected fast decomposing nitrogen - kg nitrogen/m2 uSlowN - Unprotected slow decomposing nitrogen - kg nitrogen/m2 uNecroN - Unprotected necromass nitrogen - kg nitrogen/m2 pFastN - Protected fast decomposing nitrogen - kg nitrogen/m2 pSlowN - Protected slow decomposing nitrogen - kg nitrogen/m2 pNecroN - Protected necromass nitrogen - kg nitrogen/m2 inorganicN - Inorganic nitrogen - kg nitrogen/m2 CO2 - Carbon in carbon dioxide - kg carbon/m2 livingMicrobeN - Nitrogen in living microbial biomass - kg nitrogen/m2 soilT (site) DOY274start.csv: Average daily soil temperature (oC) interpolated from previously calculated monthly values used in DayCent LIDET simulations (Bonan et al., 2013). soilT (site) DOY274start.csv: Average daily soil volumetric water content (VWC) scalar interpolated from previously calculated monthly values used in DayCent LIDET simulations (Bonan et al., 2013). litter production.csv: Average daily litter production values for each site, data sources listed in Table S3 of related publication. litter (site) CN.csv: C:N ratio for each species from LIDET dataset (Table 2, Harmon 2013). (site).csv: Table indicating number of observations for each species decomposed at each site. Instructions: Save the model code ("CORPSE_LIDET.R") and "Input Files" folder in the same folder. Also make a folder for the model output (e.g., "results_Baseline") in the same folder. Set the working directory (setwd) in the model code to the folder with the files saved in step #1. Select the parameter set to use for the litter and litterbag compartments, comment out all other parameter sets. Run code. Output will be saved in the folder made in step 1. Output destination can be changed as necessary in code section called "Running the model." Table 1 LIDET sites and site codes used in model files. Site Code - Site AND - H.J. Andrews Experimental Forest BNZ - Bonanza Creek Experimental Forest BSF - Blodgett Research Forest CDR - Cedar Creek Natural History Area CPR - Central Plains Experimental Range HBR - Hubbard Brook Experimental Forest HFR - Harvard Forest JUN - Juneau KBS - Kellogg Biological Station KNZ - Konza Prairie Research Natural Area NWT - Niwot Ridge/Green Lakes Valley OLY - Olympic National Park OLY Conifer forest SEV - Sevilleta National Wildlife Refuge SMR - Santa Margarita Ecological Reserve UFL - University of Florida VCR - Virginia Coast Reserve Table 2 LIDET species and species codes used in model files (6 common species). Species - Species Code Sugar maple (Acer saccharum) - ACSA Drypetes (Drypetes glauca) - DRGL Red pine (Pinus resinosa) - PIRE Chestnut oak (Quercus prinus) - QUPR Western redcedar (Thuja plicata) - THPL Wheat (Triticum aestivum) - TRAE References:Bonan, G. B., Hartman, M. D., Parton, W. J., & Wieder, W. R. (2013). Evaluating litter decomposition in earth system models with long-term litterbag experiments: an example using the Community Land Model version 4 (CLM4). Global Change Biology, 19(3), 957-974. https://doi.org/https://doi.org/10.1111/gcb.12031 Harmon, M. (2013). LTER Intersite Fine Litter Decomposition Experiment (LIDET), 1990 to 2002. Long-Term Ecological Research. Forest Science Data Bank, Corvallis, OR. [Data set]. Accessed http://andlter.forestry.oregonstate.edu/data/abstract.aspx?dbcode=TD023. https://doi.org/10.6073/pasta/f35f56bea52d78b6a1ecf1952b4889c5. Sulman, B. N., Phillips, R. P., Oishi, A. C., Shevliakova, E., & Pacala, S. W. (2014). Microbe-driven turnover offsets mineral-mediated storage of soil carbon under elevated CO2. Nature Climate Change, 4, 1099 - 1102. https://doi.org/10.1038/nclimate2436

Juice, Stephanie↗
DOE OSTI2017

Quantifying the Role of Snowmelt in Stream Discharge in an Alaskan Watershed: An Analysis Using a Spatially Distributed Surface Hydrology Model

Here, this study uses a spatially distributed surface hydrology model to investigate the role of snowmelt in stream discharge for the Tanana Flats Basin in interior Alaska. The Parameter ESTimation code is used to calibrate the model with observed stream discharge data. The model was further evaluated using remote sensing-based snow cover product and in situ snowpack water equivalent (SWE) observations. A 36 year (1980–2015) U.S. Geological Survey Precipitation-Runoff Modeling System simulation shows (1) the monthly stream discharge from the Tanana Flats Basin in April decreased by 44%; (2) snow cover area at high altitudes (above 2000 m) decreased in summer, both SWE and snowmelt also decreased significantly, especially in spring; (3) the timings of snowmelt onset and ending shifted by 2 (earlier) and 5 (later) days per decade, respectively; and (4) snowmelt accounts for 40% of the annual stream discharge. This study provides a quantitative tool to investigating hydrological systems considering the impacts of snow dynamics in cold regions. Additionally, this study suggests that future warming will further decrease snow coverage, advance snow melting time, and hereafter change the stream discharge dynamics in the Arctic.

58 GEOSCIENCES↗
DOE OSTI2023

Performance portable ice-sheet modeling with MALI

High-resolution simulations of polar ice sheets play a crucial role in the ongoing effort to develop more accurate and reliable Earth system models for probabilistic sea-level projections. These simulations often require a massive amount of memory and computation from large supercomputing clusters to provide sufficient accuracy and resolution; therefore, it has become essential to ensure performance on these platforms. Many of today’s supercomputers contain a diverse set of computing architectures and require specific programming interfaces in order to obtain optimal efficiency. In an effort to avoid architecture-specific programming and maintain productivity across platforms, the ice-sheet modeling code known as MPAS-Albany Land Ice (MALI) uses high-level abstractions to integrate Trilinos libraries and the Kokkos programming model for performance portable code across a variety of different architectures. In this article, we analyze the performance portable features of MALI via a performance analysis on current CPU-based and GPU-based supercomputers. The analysis highlights not only the performance portable improvements made in finite element assembly and multigrid preconditioning within MALI with speedups between 1.26 and 1.82x across CPU and GPU architectures but also identifies the need to further improve performance in software coupling and preconditioning on GPUs. We perform a weak scalability study and show that simulations on GPU-based machines perform 1.24–1.92x faster when utilizing the GPUs. The best performance is found in finite element assembly, which achieved a speedup of up to 8.65x and a weak scaling efficiency of 82.6% with GPUs. We additionally describe an automated performance testing framework developed for this code base using a changepoint detection method. The framework is used to make actionable decisions about performance within MALI. We provide several concrete examples of scenarios in which the framework has identified performance regressions, improvements, and algorithm differences over the course of 2 years of development.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Simulating PBX 9501 Gap-stick Experiment

It has previously been shown that the rate parameters of the SURF reactive burn model can be adjusted to fit the gap-stick data for PBX 9501 [Johnson et al., 2018, fig 4]. A recent recalibration of the SURF model for PBX 9501 (lot 730-010 at ρ = 1.837 g/cc 3 ) used different reactants and products EOS and an updated fitting form for the burn rate [Menikoff, 2021]. The new calibration fit gap-stick data [Hill et al., 2021] together with data from SDT experiments and curvature effect data. Here the results of gap-stick simulations using the xRage code are shown. They provide insight into the reactive flow in the gap-stick experiment.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS2003

A Design for Composing and Extending Vehicle Models

The Systems Development Branch (SDB) at NASA Langley Research Center (LaRC) creates simulation software products for research. Each product consists of an aircraft model with experiment extensions. SDB treats its aircraft models as reusable components, upon which experiments can be built. SDB has evolved aircraft model design with the following goals: 1. Avoid polluting the aircraft model with experiment code. 2. Discourage the copy and tailor method of reuse. The current evolution of that architecture accomplishes these goals by reducing experiment creation to extend and compose. The architecture mechanizes the operational concerns of the model's subsystems and encapsulates them in an interface inherited by all subsystems. Generic operational code exercises the subsystems through the shared interface. An experiment is thus defined by the collection of subsystems that it creates ("compose"). Teams can modify the aircraft subsystems for the experiment using inheritance and polymorphism to create variants ("extend").

Madden, Michael M.↗
DOE OSTI2019

Efficient thermo-mechanical simulation approaches for arc-and-wire based additive manufacturing

This study aims at the thermo-mechanical features inherent with the arc and wire metal deposition process to advance the structural simulation of additive manufacturing. Simulation approaches including iterative substructure method (ISM), dynamic mesh refining method (DMRM), and graphics processing unit (GPU) based explicit FEM code (GPU code) were developed for accelerating stress analysis and compared in terms of efficiency and accuracy. ISM and DMRM both take advantage of the strong nonlinearity phenomenon near the moving heat source, by reducing the global iterations and refining the local mesh respectively. The explicit FEM code was accelerated by a mass scaling technique based on the inherent strain concept. Two large parts by wire and arc additive manufacturing were analyzed, and the numerical results agreed very well with each other. The predicted distortion and residual stresses in the deposited layers were validated by experimental measurement. Compared with commercial software ABAQUS, the novel approaches reduced the computation cost substantially without compromising on accuracy. GPU code shows the highest computation efficiency (x30~70), while DMRM and ISM has an acceleration factor of x9 and x3 respectively. Owing to the minimum model simplification, such advanced simulation approaches will be very useful for structural analysis of additive manufacturing with complex deposition paths and product geometry.

Huang, Hui↗