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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS2006

Start-up Behavior of a Miniature Loop Heat Pipe with Multiple Evaporators and Multiple Condensers

This paper presents the test results on start-up behaviors of a miniature loop heat pipe (MLHP) with two evaporators and two condensers. The MLHP start-up tests were conducted by varying the heat load to one or both evaporators, the condenser sink temperatures, and with or without compensation chamber (CC) temperature control. More than 90 start-up tests have been conducted in horizontal position, and all were successful. Test results showed robust start-ups of the MLHP with heat loads of 1W to 100W. Loop started as soon as the heat load was applied, without a large temperature overshoot. The efficacy and good repeatability of the start-ups with CC active temperature control by using thermoelectric cooler (TEC) was demonstrated. The ability of the loop to start with parasitic heat gain caused by cooling the CC temperature below ambient temperature was also demonstrated.

Nagano, Hosei↗
NASA NTRS2012

Comparison of Inflation Processes at the 1859 Mauna Loa Flow, HI, and the McCartys Flow Field, NM

Basaltic lavas typically form channels or tubes during flow emplacement. However, the importance of sheet flow in the development of basalt ic terrains received recognition over the last 15 years. George Walke r?s research on the 1859 Mauna Loa Flow was published posthumously in 2009. In this paper he discusses the concept of endogenous growth, or inflation, for the distal portion of this otherwise channeldominated lava flow. We used this work as a guide when visiting the 1859 flow to help us better interpret the inflation history of the McCartys flow field in NM. Both well preserved flows display similar clues about the process of inflation. The McCartys lava flow field is among the you ngest (approx.3000 yrs) basaltic lava flows in the continental United States. It was emplaced over slopes of <1 degree, which is similar to the location within the 1859 flow where inflation occurred. Although older than the 1859 flow, the McCartys is located in an arid environ ment and is among the most pristine examples of sheet flow morphologies. At the meter scale the flow surface typically forms smooth, undula ting swales that create a polygonal terrain. The literature for simil ar features includes multiple explanatory hypotheses, original breakouts from adjacent lobes, or inflation related upwarping of crust or sa gging along fractures that enable gas release. It is not clear which of these processes is responsible for polygonal terrains, and it is po ssible that one explanation is not the sole cause of this morphology between all inflated flows. Often, these smooth surfaces within an inflated sheet display lineated surfaces and occasional squeeze-ups alon g swale contacts. We interpret the lineations to preserve original fl ow direction and have begun mapping these orientations to better interpret the emplacement history. At the scale of 10s to 100s of meters t he flow comprises multiple topographic plateaus and depressions. Some depressions display level floors with surfaces as described above, while some are bowl shaped with floors covered in broken lava slabs. Th e boundaries between plateaus and depressions are also typically smoo th, grooved surfaces that have been tilted to angles sometimes approaching vertical. The upper margin of these tilted surfaces displays lar ge cracks, sometimes containing squeeze-ups. The bottom boundary with smooth floored depressions typically shows embayment by younger lavas. It appears that this style of terrain represents the emplacement of an extensive sheet that experiences inflation episodes within prefer red regions where lateral spreading of the sheet is inhibited, thereby forming plateaus. Depressions are often the result of non-inflation and can be clearly identified by lateral squeeze-outs along the pit walls that form when the rising crust exposes the still liquid core of the sheet. Our current efforts are focused on.

Bleacher, Jacob E.↗
NASA NTRS2013

Mitigating the Effects of the Space Radiation Environment: A Novel Approach of Using Graded-Z Materials

In this paper we present a novel space radiation shielding approach using various material lay-ups, called "Graded-Z" shielding, which could optimize cost, weight, and safety while mitigating the radiation exposures from the trapped radiation and solar proton environments, as well as the galactic cosmic radiation (GCR) environment, to humans and electronics. In addition, a validation and verification (V&V) was performed using two different high energy particle transport/dose codes (MCNPX & HZETRN). Inherently, we know that materials having high-hydrogen content are very good space radiation shielding materials. Graded-Z material lay-ups are very good trapped electron mitigators for medium earth orbit (MEO) and geostationary earth orbit (GEO). In addition, secondary particles, namely neutrons, are produced as the primary particles penetrate a spacecraft, which can have deleterious effects to both humans and electronics. The use of "dopants," such as beryllium, boron, and lithium, impregnated in other shielding materials provides a means of absorbing the secondary neutrons. Several examples of optimized Graded-Z shielding layups that include the use of composite materials are presented and discussed in detail. This parametric shielding study is an extension of some earlier pioneering work we (William Atwell and Kristina Rojdev) performed in 20041 and 20092.

Atwell, William↗
NASA NTRS2014

Nuclear Thermal Propulsion Ground Test History

Nuclear Thermal Propulsion (NTP) was started in ~1955 under the Atomic Energy Commission as project Rover and was assigned to Los Alamos National Laboratory. The Nevada Test Site was selected in 1956 and facility construction began in 1957. The KIWI-A was tested on July 1, 1959 for 5 minutes at 70MW. KIWI-A1 was tested on July 8, 1960 for 6 minutes at 85MW. KIWI-A3 was tested on October 10, 1960 for 5 minutes at 100MW. The National Aeronautics and Space Administration (NASA) was formed in 1958. On August 31, 1960 the AEC and NASA established the Space Nuclear Propulsion Office and named Harold Finger as Director. Immediately following the formation of SNPO, contracts were awarded for the Reactor In Flight Test (RIFT), master plan for the Nuclear Rocket Engine Development Station (NRDS), and the Nuclear Engine for Rocket Vehicle Application (NERVA). From December 7, 1961 to November 30, 1962, the KIWI-B1A, KIWI-B1B, and KIWI-B4A were tested at test cell A. The last two engines were only tested for several seconds before noticeable failure of the fuel elements. Harold Finger called a stop to any further hot fire testing until the problem was well understood. The KIWI-B4A cold flow test showed the problem to be related to fluid dynamics of hydrogen interstitial flow causing fuel element vibrations. President Kennedy visited the NTS one week after the KIWI-B4A failure and got to see the engine starting to be disassembled in the maintenance facility. The KIWI-B4D and KIWI-B4E were modified to not have the vibration problems and were tested in test cell C. The NERVA NRX program started testing in early 1964 with NRX-A1 cold flow test series (unfueled graphite core), NRX-A2 and NRX-A3 power test series up to 1122 MW for 13 minutes. In March 1966, the NRX-EST (Engine System Test) was the first breadboard using flight functional relationship and total operating time of 116 minutes. The NRX-EST demonstrated the feasibility of a hot bleed cycle. The NRX-A5 had multiple start-ups in May-June 1966 with 30.75 minutes accumulative operating time at or above 1GW. The NRX-A6 was tested in December 1969 and ran for 62 minutes at 1100 MW. Each engine had post-test examination and found various structure anomalies which were identified for correction and the fuel element corrosion rate was reduced. The Phoebus series of research reactors began testing at test cell C, in June 1965 with Phoebus 1A. Phoebus 1A operated for 10.5 minutes at 1100 MW before unexpected loss of propellant and leading to an engine breakdown. Phoebus 1B ran for 30 minutes in February of 1967. Phoebus 2A was the highest steady state reactor built at 5GW. Phoebus 2A ran for 12 minutes at 4100 MW demonstrating sufficient power is available. The Peewee test bed reactor was tested November- December 1968 in test cell C for 40 minutes at 500MW with overall performance close to pre-run predictions. The XE' engine was the only engine tested with close to a flight configuration and fired downward into a diffuser at the Engine Test Stand (ETS) in 1969. The XE' was 1100 MW and had ~28 start-ups. The nuclear furnace NF-1 was operated at 44 MW with multiple test runs at 90 minutes in the summer of 1972. The NF-1 was the last NTP reactor tested. The Rover/NERVA program was cancelled in 1973. However, before cancellation, a lot of other engineering work was conducted by Aerojet on a 75, 000 lbf prototype flight engine and by Los Alamos on a ~16,000 lbf "Small Engine" nuclear rocket design. The ground test history of NTP at the NRDS also offers many lessons learned on how best to setup, operate, emergency shutdown, and post-test examine NTP engines. The reactor and engine maintenance and disassembly facilities were used for assembly and inspection of radioactive engines after testing. Most reactor/ engines were run at test cell A or test cell C with open air exhaust. The Rover/NERVA program became aware of a new environmental regulation that would restrict the amount of radioactive particulates allowed to be release in open air and successfully demonstrated a scrubber concept with the NF-1. The ETS stand was the only one with a high altitude test chamber used for XE'. The ETS and other test cells showed the effects the engine's radiation had on the facility materials and instrumentation as well as side effects the ground test facility has back on the engine operation. The breakdown of Phoebus 1A at test cell C showed how the site was cleaned up and back to operation for five more engines before the program was cancelled.

Gerrish, Harold P.↗
NASA NTRS2015

Avionics Configuration Assessment for Flightdeck Interval Management: A Comparison of Avionics and Notification Methods

Flightdeck Interval Management is one of the NextGen operational concepts that FAA is sponsoring to realize requisite National Airspace System (NAS) efficiencies. Interval Management will reduce variability in temporal deviations at a position, and thereby reduce buffers typically applied by controllers - resulting in higher arrival rates, and more efficient operations. Ground software generates a strategic schedule of aircraft pairs. Air Traffic Control (ATC) provides an IM clearance with the IM spacing objective (i.e., the TTF, and at which point to achieve the appropriate spacing from this aircraft) to the IM aircraft. Pilots must dial FIM speeds into the speed window on the Mode Control Panel in a timely manner, and attend to deviations between actual speed and the instantaneous FIM profile speed. Here, the crew is assumed to be operating the aircraft with autothrottles on, with autopilot engaged, and the autoflight system in Vertical Navigation (VNAV) and Lateral Navigation (LNAV); and is responsible for safely flying the aircraft while maintaining situation awareness of their ability to follow FIM speed commands and to achieve the FIM spacing goal. The objective of this study is to examine whether three Notification Methods and four Avionics Conditions affect pilots' performance, ratings on constructs associated with performance (workload, situation awareness), or opinions on acceptability. Three Notification Methods (alternate visual and aural alerts that notified pilots to the onset of a speed target, conformance deviation from the required speed profile, and reminded them if they failed to enter the speed within 10 seconds) were examined. These Notification Methods were: VVV (visuals for all three events), VAV (visuals for all three events, plus an aural for speed conformance deviations), and AAA (visual indications and the same aural to indicate all three of these events). Avionics Conditions were defined by the instrumentation (and location) used to present IM information to crews: (1) Integrated (IM information is embedded in extant PFD (Primary Flight Display), ND (Navigation Display), EICAS (Engine Indicating and Crew Alerting System) displays); (2) EFB_Aft (IM information is only supplied in an EFB and mounted in location similar to that for MITRE's UPS work); (3) EFB_Fore (IM information is only supplied in an EFB which is mounted more forward, under the side window), and (4) EFB_Aft plus use of an AGD (the same IM information is supplied in an EFB and on an AGD, both mounted in locations similar to that in MITRE's UPS work ). Twelve commercial pilot crews flew descent scenarios (VNAV Speed with the mode control panel (MCP) speed window open until flaps extended, then VNAV Path) in a commercial transport flight simulator with realistic visual scene and communications. The results of this study serve three practical aims: (1) contribute to the down-select of avionics configuration for future assessment of the ASTAR spacing algorithm at NASA; (2) provide information useful to the FAA Human Factors Division (ANG-C1)'s mission to identify issues pertinent to flight certification of, and flight standards; (3) identify methodological considerations in support of future FIM human-in-the-loop (HITL) investigations.

Latorella, Kara A.↗
NASA NTRS2016

Validating MODIS Above-Cloud Aerosol Optical Depth Retrieved from Color Ratio Algorithm Using Direct Measurements Made by NASA's Airborne AATS and 4STAR Sensors

We present the validation analysis of above-cloud aerosol optical depth (ACAOD) retrieved from the color ratio method applied to MODIS cloudy-sky reflectance measurements using the limited direct measurements made by NASAs airborne Ames Airborne Tracking Sunphotometer (AATS) and Spectrometer for Sky-Scanning, Sun-Tracking Atmospheric Research (4STAR) sensors. A thorough search of the airborne database collection revealed a total of five significant events in which an airborne sun photometer, coincident with the MODIS overpass, observed partially absorbing aerosols emitted from agricultural biomass burning, dust, and wildfires over a low-level cloud deck during SAFARI-2000, ACE-ASIA 2001, and SEAC4RS 2013 campaigns, respectively. The co-located satellite-airborne match ups revealed a good agreement (root-mean-square difference less than 0.1), with most match ups falling within the estimated uncertainties associated with the MODIS retrievals (about -10 to +50 ). The co-retrieved cloud optical depth was comparable to that of the MODIS operational cloud product for ACE-ASIA and SEAC4RS, however, higher by 30-50% for the SAFARI-2000 case study. The reason for this discrepancy could be attributed to the distinct aerosol optical properties encountered during respective campaigns. A brief discussion on the sources of uncertainty in the satellite-based ACAOD retrieval and co-location procedure is presented. Field experiments dedicated to making direct measurements of aerosols above cloud are needed for the extensive validation of satellite based retrievals.

airborne sun photometer↗
NASA NTRS2017

NASA's Ground-Based Observing Campaigns of Rocket Bodies with the UKIRT and NASA ES-MCAT Telescopes

Rocket bodies comprise a class of human-made space debris that are at the same time essential for launching every spacecraft from the Earth, but are also a significant source of debris both as intact objects, as well as fragmented debris. Unspent fuel has been long theorized as a potential cause of catastrophic rocket body break-ups. Given typical orbital speeds range from approximately 2-3 kilometers per second at Geosynchronous Orbit (GEO) and up to 15 kilometers per second in low Earth orbit (LEO), collisions with uncatalogued and undetected debris can also cause catastrophic breakups. Understanding break-ups is a necessary step in preventing them, and one key step in that process is to correlate and characterize daughter fragments with their parent bodies. Two very different methods include (1) conducting photometric surveys to correlate an object's motion and orbital elements to the parent body, and (2) characterizing what materials comprise the target to determine whether those materials are consistent with the parent body or like objects. With this in mind, photometric data were taken shortly after the breakup of one rocket body for short-term orbital studies, and a suite of spectral data were taken of rocket bodies that are fully intact to compare with debris, for characterization studies. Targets included Titan Transtage, Briz-M, and Ariane rocket bodies and debris. Spectra of each sub-class of rocket body were very similar within their rocket body type, but differed distinctly from one type to the next, supporting the effectiveness of this approach.

Lederer, Susan M.↗
NASA NTRS2022

Faster Tropical Upper Stratospheric Upwelling Drives Changes in Ozone Chemistry

Tropospheric trends in long-lived source gases N2O and the chlorofluorocarbons (CFCs) cause trends in O3 through changes in their reactive product gases. Transport affects the product gases because it controls the distribution of the long-lived source gases. We find that large changes in tropical upwelling 10-5 hPa since 2012 have strengthened the northern branch of the upper stratospheric (UpS) transport circulation, dramatically altering the abundances of N2O and its odd nitrogen product gases, NOx and HNO3. Increased upwelling is connected to stronger and more frequent Quasi-Biennial Oscillation easterly winds at 10 hPa and above. We use simulations with and without time varying MERRA2 meteorology to quantify the impact of dynamical changes on O3 loss via the NOx and ClOx cycles. We find that dynamical impacts on these cycles explain the mid-stratospheric tropical O3 increase and Arctic UpS O3 decrease since 2005.

Middle atmosphere chemistry and composition↗
NASA NTRS2021

NOAA-17 Break-up Engineering Investigation Board Final Report

The NOAA-17 break-up was found to be a single, localized debris event producing about100 trackable pieces; there is likely no catastrophic damage to the whole spacecraft. NOAA-17 debris is very much in family with NOAA-16 debris, and DMSP F11 and F13 are very much in family with each other and share similarities with NOAA-16 and 17; it is likely all four (“The Big Four”) share the same debris source. DMSP F13 break-up occurred simultaneous with a known battery overcharge and therefore battery rupture is most likely intermediate cause of the Big Four break-ups; this is a low confidence assessment since other debris sources cannot be definitively ruled out. No root cause was found as the NOAA-17 batteries were all confirmed to have been disconnected from the charge path as intended. Possible conditions for reconnection are all unlikely including short circuits and commanding from a “bad actor.” All related spacecraft pose a risk of similar break-ups for decades to come and are a threat to the critical 800-850 km polar orbit regime; even appropriately decommissioned spacecraft appear to be at risk. Recommendations include an update to the decommissioning procedure and consideration of further investigations and active debris removal, consistent with national policy.

Maggie Atkinson↗
DOE OSTI2020

Supporting Bioproducts Industry Growth with a System Dynamics Decision-Support Tool

A bio-based economy requires chemical products as well as fuels to be produced from biomass. Although a variety of universities, government agencies, start-ups and established firms have engaged in bioproduct development, many projects have failed to reach the point of commercialization and commercialized bioproducts struggle to capture and maintain market share. To date, there has been no general research into the factors that contribute to bioproduct failure or success. This work presents the Bioproduct Transition Dynamics (BTD) system dynamics model, a decision-support tool that simulates the bioproduct development process from pre-piloting research through construction of the first commercial-scale plant, as well as the processes of obtaining funding from investors and government agencies. The core of the BTD is a feedback loop between bioproduct developers and funders, which relates development progress measured with indicators such as net present value to funders’ decisions to continue investing. External factors such as feedstock prices, market size and growth, and the existence of bioproduct consumers also influence a development project’s chances of receiving follow-on funding. Virtually any bioproduct can be represented with the BTD: direct replacements, performance-advantaged products, niche and commodity markets can all be modeled. The goal of the BTD project is to inform decisions made by developers in both established firms and start-ups, investors, government agencies, and other stakeholders interested in growing the nascent U.S. bioproducts industry. This talk will cover the general structure and functionality of the BTD, and present results from an analysis performed with the BTD to demonstrate its use as a decision-support tool and the insights it can provide. The goal of the analysis is to identify the most critical factors that lead to direct replacement and performance-advantaged bioproduct projects emerging successfully from the “Valley of Death”, and to determine if these factors differ between the two bioproduct types.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Control System Upgrade for Battery State-of-Charge Indications

The Advanced Test Reactor (ATR) Complex at Idaho National Laboratory (INL) relies on Battery Backed Power (BBP) systems and Uninterruptible Power Supplies (UPS) to ensure continuous power supply to critical components. This project aims to enhance the reliability and functionality of the battery monitoring and control systems by updating the State-of-Charge (SOC) system, Programmable Logic Controller (PLC), and Human-Machine Interface (HMI) for the nuclear safety-related battery banks. The current system, while functional, has areas for improvement, particularly in recharging calculations and alarm functions. The project objectives include developing flow charts, programming the new PLC and HMI, conducting bench tests, and updating design documentation. Additionally, the project ensures compliance with safety standards, develops training materials, creates comprehensive documentation, and integrates seamlessly with existing ATR infrastructure. The new SOC system is designed to be scalable for future upgrades, improve efficiency, enhance data accuracy, implement redundancy features, and achieve project goals within budget constraints while considering environmental impact. The methodology involved familiarizing with BBP and UPS systems, collecting current readings, rescaling signals, learning ladder logic, and updating the HMI. The transition from SLC 5/03 PLC using RS Logix 500 to CompactLogix 5380 using Studio 5000 was a key step. Despite challenges in transferring outdated PLC ladder logic and HMI code, starting from scratch led to a more accurate and efficient monitoring system, contributing to improved safety and operational efficiency. The project is currently awaiting approval of the Engineering Calculation and Analysis Report (ECAR) before implementation.

42 - ENGINEERING↗
DOE OSTI2023

Accelerating x-ray tracing for exascale systems using Kokkos

The upcoming exascale computing systems Frontier and Aurora will draw much of their computing power from GPU accelerators. The hardware for these systems will be provided by AMD and Intel, respectively, each supporting their own GPU programming model. The challenge for applications that harness one of these exascale systems will be to avoid lock-in and to preserve performance portability. We report here on our results of using Kokkos to accelerate a real-world application on NERSC's Perlmutter Phase 1 (using NVIDIA A100 accelerators) and Crusher, the testbed system for OLCF's Frontier (using AMD MI250X). By porting to Kokkos, we successfully ran the same X-ray tracing code on both systems and achieved speed-ups between 13 % and 66 % compared to the original CUDA code. Finally, these results are a highly encouraging demonstration of using Kokkos to accelerate production science code.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Large language model evaluation for high–performance computing software development

We apply AI-assisted large language model (LLM) capabilities of GPT-3 targeting high-performance computing (HPC) kernels for (i) code generation, and (ii) auto-parallelization of serial code in C ++, Fortran, Python and Julia. Our scope includes the following fundamental numerical kernels: AXPY, GEMV, GEMM, SpMV, Jacobi Stencil, and CG, and language/programming models: (1) C++ (e.g., OpenMP [including offload], OpenACC, Kokkos, SyCL, CUDA, and HIP), (2) Fortran (e.g., OpenMP [including offload] and OpenACC), (3) Python (e.g., numpy, Numba, cuPy, and pyCUDA), and (4) Julia (e.g., Threads, CUDA.jl, AMDGPU.jl, and KernelAbstractions.jl). Kernel implementations are generated using GitHub Copilot capabilities powered by the GPT-based OpenAI Codex available in Visual Studio Code given simple + + prompt variants. To quantify and compare the generated results, we propose a proficiency metric around the initial 10 suggestions given for each prompt. For auto-parallelization, we use ChatGPT interactively giving simple prompts as in a dialogue with another human including simple “prompt engineering” follow ups. Results suggest that correct outputs for C++ correlate with the adoption and maturity of programming models. For example, OpenMP and CUDA score really high, whereas HIP is still lacking. We found that prompts from either a targeted language such as Fortran or the more general-purpose Python can benefit from adding language keywords, while Julia prompts perform acceptably well for its Threads and CUDA.jl programming models. Finally, we expect to provide an initial quantifiable point of reference for code generation in each programming model using a state-of-the-art LLM. Overall, understanding the convergence of LLMs, AI, and HPC is crucial due to its rapidly evolving nature and how it is redefining human-computer interactions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Results of a Geant4 benchmarking study for bio‐medical applications, performed with the G4‐Med system

Geant4, a Monte Carlo Simulation Toolkit extensively used in bio-medical physics, is in continuous evolution to include newest research findings to improve its accuracy and to respond to the evolving needs of a very diverse user community. In 2014, the G4-Med benchmarking system was born from the effort of the Geant4 Medical Simulation Benchmarking Group, to benchmark and monitor the evolution of Geant4 for medical physics applications. The G4-Med system was first described in our Medical Physics Special Report published in 2021. Results of the tests were reported for Geant4 10.5. Purpose In this work, we describe the evolution of the G4-Med benchmarking system. Methods The G4-Med benchmarking suite currently includes 23 tests, which benchmark Geant4 from the calculation of basic physical quantities to the simulation of more clinically relevant set-ups. New tests concern the benchmarking of Geant4-DNA physics and chemistry components for regression testing purposes, dosimetry for brachytherapy with a 125 I source, dosimetry for external x-ray and electron FLASH radiotherapy, experimental microdosimetry for proton therapy, and in vivo PET for carbon and oxygen beams. Regression testing has been performed between Geant4 10.5 and 11.1. Finally, a simple Geant4 simulation has been developed and used to compare Geant4 EM physics constructors and physics lists in terms of execution times. Results In summary, our EM tests show that the parameters of the multiple scattering in the Geant4 EM constructor G4EmStandardPhysics_option3 in Geant4 11.1, while improving the modeling of the electron backscattering in high atomic number targets, are not adequate for dosimetry for clinical x-ray and electron beams. Therefore, these parameters have been reverted back to those of Geant4 10.5 in Geant4 11.2.1. The x-ray radiotherapy test shows significant differences in the modeling of the bremsstrahlung process, especially between G4EmPenelopePhysics and the other constructors under study (G4EmLivermorePhysics, G4EmStandardPhysics_option3, and G4EmStandardPhysics_option4). These differences will be studied in an in-depth investigation within our Group. Improvement in Geant4 11.1 has been observed for the modeling of the proton and carbon ion Bragg peak with energies of clinical interest, thanks to the adoption of ICRU90 to calculate the low energy proton stopping powers in water and of the Linhard–Sorensen ion model, available in Geant4 since version 11.0. Nuclear fragmentation tests of interest for carbon ion therapy show differences between Geant4 10.5 and 11.1 in terms of fragment yields. In particular, a higher production of boron fragments is observed with Geant4 11.1, leading to a better agreement with reference data for this fragment. Conclusions Based on the overall results of our tests, we recommend to use G4EmStandardPhysics_option4 as EM constructor and QGSP_BIC_HP with G4EmStandardPhysics_option4, for hadrontherapy applications. The Geant4-DNA physics lists report differences in modeling electron interactions in water, however, the tests have a pure regression testing purpose so no recommendation can be formulated.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

Optimizing multigrid reduction-in-time and Parareal coarse-grid operators for linear advection

Parallel-in-time methods, such as multigrid reduction-in-time (MGRIT) and Parareal, provide an attractive option for increasing concurrency when simulating time-dependent partial differential equations (PDEs) in modern high-performance computing environments. While these techniques have been very successful for parabolic equations, it has often been observed that their performance suffers dramatically when applied to advection-dominated problems or purely hyperbolic PDEs using standard rediscretization approaches on coarse grids. In this paper, we apply MGRIT or Parareal to the constant-coefficient linear advection equation, appealing to existing convergence theory to provide insight into the typically nonscalable or even divergent behavior of these solvers for this problem. To overcome these failings, we replace rediscretization on coarse grids with improved coarse-grid operators that are computed by applying optimization techniques to approximately minimize error estimates from the convergence theory. Therefore, one of our main findings is that, in order to obtain fast convergence as for parabolic problems, coarse-grid operators should take into account the behavior of the hyperbolic problem by tracking the characteristic curves. Our approach is tested for schemes of various orders using explicit or implicit Runge–Kutta methods combined with upwind-finite-difference spatial discretizations. In all cases, we obtain scalable convergence in just a handful of iterations, with parallel tests also showing significant speed-ups over sequential time-stepping.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

The microstructure of a selective laser melting (SLM)-fabricated NiTi shape memory alloy with superior tensile property and shape memory recoverability

A selective laser melting (SLM)-fabricated NiTi with superior tensile property and shape memory recoverability was obtained by using a unique stripe rotation scanning strategy. Here, the alloy characteristics, formation mechanisms and evolution in terms of twins, dislocations and precipitations of the alloy were systematically studied. Compared to the conventional smelting-followed-by-machining, the SLM fabrication process involves rapid solidification and repeated heating, which confer distinctive characteristics to the microstructures of SLM-fabricated NiTi alloys. Rapid solidification promotes the formation of a supersaturation solid solution matrix containing a high concentration vacancies, which in turn aggregate to generate a high density of dislocations. During subsequent repeated heating stages, these dislocations occur thermal motion along three directions of <001 > , <111> and <110 >, leading to the formation of thermal kinks, helical dislocations and wave morphology. Simultaneously, precipitated particles Ti 3 Ni 4 repeatedly nucleate and heterogeneous grow with the movement of dislocation. Such precipitation behavior, termed repeated precipitation, has not been previously reported in the conventional NiTi alloys, suggesting that it could be a unique characteristic of such alloy. After martensitic transformation, only two twins, {1 1¯ 1} type I twin and compound twin, are detected. The twinning lamellae of these two twins, where precipitation and dislocation pile-ups exist, often have uneven thickness and chaotic arrangement. Besides, the unique self-accommodated microstructures, such as secondary {1 1¯ 1} type I twin and compound twin with “herring-bone’’ lamellae, which often appear in the deformed or nanocrystalline NiTi, can also be observed. These unique microstructures may confer the distinctive properties to the SLM-fabricated NiTi.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Model-parallel Fourier neural operators as learned surrogates for large-scale parametric PDEs

Fourier neural operators (FNOs) are a recently introduced neural network architecture for learning solution operators of partial differential equations (PDEs), which have been shown to perform significantly better than comparable deep learning approaches. Once trained, FNOs can achieve speed-ups of multiple orders of magnitude over conventional numerical PDE solvers. However, due to the high dimensionality of their input data and network weights, FNOs have so far only been applied to two-dimensional or small three-dimensional problems. To remove this limited problem-size barrier, we propose a model-parallel version of FNOs based on domain-decomposition of both the input data and network weights. Here, we demonstrate that our model-parallel FNO is able to predict time-varying PDE solutions of over 2.6 billion variables on Perlmutter using up to 512 A100 GPUs and show an example of training a distributed FNO on the Azure cloud for simulating multiphase CO 2 dynamics in the Earth’s subsurface.

58 GEOSCIENCES↗
DOE OSTI2020

Exponential time differencing for the tracer equations appearing in primitive equation ocean models

The tracer equations are part of the primitive equations used in ocean modeling and describe the transport of tracers, such as temperature, salinity or chemicals, in the ocean. Depending on the number of tracers considered, several equations may be added to and coupled to the dynamics system. In many relevant situations, the time-step requirements of explicit methods imposed by the transport and mixing in the vertical direction are more restrictive than those for the horizontal, and this may cause the need to use very small time steps if a fully explicit method is employed. To overcome this issue, we propose an exponential time differencing (ETD) solver where the vertical terms (transport and diffusion) are treated with a matrix exponential, whereas the horizontal terms are dealt with in an explicit way. In this work, we investigate numerically the computational speed-ups that can be obtained over other semi-implicit methods, and we analyze the advantages of the method in the case of multiple tracers.

42 ENGINEERING↗