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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Aging and Lifetimes Program Annual Report - Part I: Update to BDNPA-BDNPF phase diagram (FY2022)

The eutectic mixture nitroplasticizer (NP) contains water, without exception, on the order of hundreds to thousands of parts per million depending on the exposure conditions. Therefore, to evaluate the properties of NP, one must consider that NP is not simply comprised of two constituents. Here we supplement previous work on the physical properties of NP (Edgar et al., 2020) by expanding on the experimental work therein and addressing inaccuracies detailed in a subsequent comment article (Brown, 2021). Specifically, the purpose of this work is to clarify and modify the phase diagram of the bis(2,2-dinitropropyl) acetal with bis(2,2-dinitropropyl) formal eutectic mixture by considering the effect of water concentrations on the nucleation process.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Elucidation of puzzling questions regarding the CrO x /Al 2 O 3 catalyst I. X-ray absorption spectroscopy aided identification of the nature of the chromium oxide species in the CrO x /Al 2 O 3 dehydrogenation catalyst system

The CATOFIN© process produces propylene from propane using a CrO x /Al 2 O 3 catalyst. Despite its use, there are still uncertainties surrounding the nature of Cr species formed during synthesis, regeneration, and aging. It has been observed that ppm levels of Cr 2 O 3 can be oxidized to Cr(VI) in air; however, when Cr 2 O 3 is in direct contact with Al 2 O 3 , Cr(VI) formation increased more than 100-fold. Here, to confirm physical contact between Cr 2 O 3 and Al 2 O 3 results in increased Cr(VI) formation, Cr 2 O 3 and Cr 2 O 3 /Al 2 O 3 samples were synthesized, calcined, and characterized. Catalytic activity measurements confirm propylene selectivity inversely tracks with Cr(VI). Wet chemical titration and X-ray absorption spectroscopy (XAS) quantified and determined the structure of the Cr(VI) species. FEFF X-ray absorption near edge structure simulations determined the potential sensitivity of the XAS to the presence of Al 3+ /Cr 3+ neighboring atoms. XAS correlated to FEFF simulations suggested that Al 3+ x Cr 3+ 2–x Cr 6+ 3 O 12 comprises a significant fraction of the Cr(VI) species formed.

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

A 500 KV INVERTED GEOEMTRY FEEDTHROUGH FOR A HIGH VOLT-AGE DC ELECTRON GUN

This contribution reports on the development of an unprecedented inverted-insulator with cable connector for reliably applying 500 kV dc to a future polarized beam photogun, to be designed for operating at 350kV without field emission. Such a photogun design could then be used for generating a polarized electron beam to drive a spin-polarized positron source as a demonstrator for high energy nuclear physics at JLab. There are no commercial cable connectors that fit the large inverted insulators required for that voltage range. Our proposed concept is based on a modified epoxy receptacle with intervening SF6 layer and a test electrode in a vacuum vessel.

Hernandez-Garcia, C.↗
DOE OSTI2020

Liquid Chromatography Mass Spectrometry Instrumentation and Methodology

This report reviews instrumentation and techniques utilized in liquid chromatography mass spectrometry (LC-MS). The analytical advantages and disadvantages of each major component of different LC-MS systems are discussed, along with a comparison between LC-MS, liquid chromatography tandem mass spectrometry (LC-MS/MS), and gas chromatography mass spectrometry (GC-MS). This report also details future work regarding the use of LC-MS/MS to analyze and identify degradation products from an extensive accelerated aging process of nitroplasticizer (NP). This report is the first of a series on the use of LC-MS to understand the degradation mechanisms of NP.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Joint LLNL & SNL Material Compatibility Study Commences

The fundamental goal of the W80-4 Life Extension Program (LEP) is the design and production of a safe and reliable system. Ensuring long-term viability and chemical compatibility of the materials in the warhead is paramount to its success. To that end, the material and aging compatibility team, which includes researchers from Lawrence Livermore and Sandia National Laboratories (SNL), has launched the LEP’s most comprehensive compatibility test to date.

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

How does Ga doping of δ-Pu affect the phonons? [Slides]

As part of the LDRD-DR project “Aging and Metastability of Delta-Phase Plutonium,” largescale density functional theory calculations were performed to reveal details of how Ga doping affects the phonons of deltaphase Pu.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Building Cybersecurity Educational Materials for Students: The Windfarm Capture-The-Flag Exercise

Securing and protecting critical infrastructure in an increasingly digital world is vital but it is all too often an afterthought. It is especially important that students become aware of internet safety and security at an early age. However, the availability of interactive and educational cybersecurity material targeted toward students is minimal in the United States. Here we show an example of interactive cyber security educational material that an educator can use in their classroom to encourage students to think about the interaction between real-world physical objects, cyber security, and information security. By putting together a “capture-the-flag” exercise, students can see in real time how hackers and cybercriminals exploit vulnerabilities and gain access information. The students try to “capture” the “flag” (i.e., information) in the wind farm by looking for oddities in the code or by taking advantage of weaknesses in everyday protocols. Students can also see how cybersecurity interacts with the power grid through the wind farm project scenario and how a hacker could cause serious problems to a critical infrastructure sector. Our goal for the project is getting students interested in cybersecurity and help them develop an awareness of how important having robust security systems is. We also hope that this project demonstrates the importance of introducing these concepts early and inspires others to create similar projects geared toward students.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Monte Carlo Simulations of 347H Stainless Steel Aging for the Synthetic Generation of Microstructures Under Creep Conditions

Here, a Monte Carlo simulation method capable of replicating the kinetics of M 23 C 6 precipitation in 347H stainless steels was developed for the purpose of producing synthetic microstructures that approximate its microstructural evolution under aging periods of up to 10,000 hours at temperatures between 600 °C and 750 °C. To accomplish this, experimental data from the literature was used to parameterize simulations and replicate the nucleation and growth kinetics of M 23 C 6 particles within 347H and similar austenitic stainless steel alloys. These simulations were found to have considerable fidelity to previous efforts to study the precipitation of M 23 C 6 in other 300 series stainless steel alloys. Synthetic 347H microstructures were then generated that accounted the effects of aging temperature, duration, dislocation density, and the presence of boron within the microstructure. These simulations predict several key trends, those being that (1) the size of M 23 C 6 precipitates decreased with aging temperature and (2) the growth rate of M 23 C 6 particles decreased with aging temperature. Further, while (3) the addition of dislocation density due to creep conditions resulted in increasing intragranular nucleation of M 23 C 6 precipitates with increasing dislocation density and (4) B additions within the microstructure led to modest increases in precipitate size above 700 °C, which indicates that more complex physics are necessary to account for the presence of B.

36 MATERIALS SCIENCE↗
DOE OSTI2025

An In Situ , Automated High-Explosives Aging Method Utilizing Two-Dimensional Gas Chromatography–Mass Spectrometry

Understanding chemical changes that occur in high explosives as they age is of great importance to the safe employment and storage of these compounds. Traditional methods of aging high explosives even under accelerated aging conditions are time intensive with durations on the order of months to years. The nature of traditional aging analyses reduces each sample to a snapshot data point often separated widely in time, requiring many assumptions as to how the degradation products develop. Further complicating matters, several analytical techniques are typically employed for each sample analysis in order to ascertain an entire picture of the decomposition pathways. To address these shortcomings with existing methods, a new method of accelerated aging of high explosives utilizing comprehensive two-dimensional gas chromatography coupled to high-resolution mass spectrometry (GC × GC-HRMS) was developed using 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) as a model compound for method development. This in situ automated method reduces the time scale of aging to a matter of hours using the inlet of the GC × GC as the aging vessel. GC × GC in combination with HRMS allowed for the collection of both evolved gases and other decomposition products produced during the entire aging process in real time with HRMS providing far greater certainty in identification of explosives aging products. Additionally, this method allowed for a higher throughput of samples with greatly simplified sample preparation. Chemometric analysis of the GC × GC-HRMS data set via the alteration analysis (ALA) enabled discovery of statistically significant chemical changes providing insight into the variation of decomposition pathways with varying aging temperatures.

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

Predicting and Controlling Corrosion (Abbreviated Final Report)

Corrosion accumulates significant replacement costs in the transportation, utility, manufacturing, and infrastructure sectors. It also underpins several of LLNL’s core missions in stockpile stewardship, defense, and energy security. Whereas most corrosion and aging models are empirically parameterized to describe well-defined conditions late in the reaction, the factors that determine the early stages of corrosion—during which mitigation could be most impactful— are poorly understood. This project addressed the critical need for new approaches to predict the kinetics of corrosion initiation based on firm physical and chemical understanding. The activities encompassed degradation of relevant metals in both hydrogen-rich and environmental corrosion scenarios. The team integrated state-of-the-art multiscale simulation, in situ characterization, and data science within three technical thrusts: hydriding of Ti alloys; aqueous corrosion of Al and Ni-Cr alloys; and degradation of additively manufactured 316L stainless steel. In each case, novel capabilities were developed to identify and track the impacts of key atomistic, compositional, and microstructural features on the metal systems. For hydriding, protocols were developed to tightly integrate multiscale models, advanced multimodal characterization, and machine learning to determine how hydrogen interacts with native passivating surface oxides and nucleates new undesired phases, shedding new light on the critical role of grain boundaries, interfaces, and atomically disordered regions. For aqueous corrosion, the project demonstrated methods to predict dissolution rates of metal surfaces in corrosive solutions, to measure and understand microstructural and grain orientation effects on corrosion susceptibility, and to investigate competing growth and dissolution kinetics of surface oxides. For additively manufactured metals, analysis using state-of-the-art microscopy techniques revealed the role of specific heterogeneities invoked during laser processing, including cellular structure, dislocations, and precipitates, on corrosion susceptibility. In addition to new capabilities and understanding, the project provided an avenue for workforce development, as well as key partnerships with stakeholders in corrosion science.

08 HYDROGEN↗
DOE OSTI2026

Editorial: Predicting near-earth space environment: new perspective and capabilities in the AI age

Editorial on the Research Topic Predicting near-earth space environment: new perspective and capabilities in the AI age The near-Earth space environment is not only an operational hazard for space missions, but also a scientific laboratory for advancing our understanding and prediction of space plasma populations. This Research Topic is organized around three interconnected themes: observational datasets, machine-learning (ML) model development, and the discovery of new physical insights through those models. Its primary goal is to highlight the emerging capabilities in space environment prediction that are enabled, or will be enabled, by integrating advanced techniques—including AI/ML methods—with long-term curated datasets.

58 GEOSCIENCES↗
DOE OSTI2025

A heat and mass transfer model for evaluation of damaged cesium chloride radiological sources

Radiological sources are vital to many applications, and typically contain byproducts from waste streams which decay over time to form complex mixtures of elements. Daughter products resulting from these decay processes can introduce complicating factors to the integrity and safety of the vessel that contains the radiological material. Sources containing cesium 137 ( 137 Cs) are of particular interest, because the decay of this isotope produces barium metal which reacts readily and exothermically with oxygen. This work employs physics-based numerical tools to examine the thermal response of a radiological source containing a mixture of cesium and barium in the event that vessel walls are damaged and atmospheric gases contact source material. A parametric study was conducted to determine the sensitivity of the response to various factors, including vessel geometry, source material age, the degree of vessel damage, and other parameters. Here, it was found that the peak temperatures that occurred within the source material strongly depend on these parameters, particularly vessel geometry and age, which determine whether a breach would be a relatively minor accident or a catastrophic incident. Finally, the model’s sensitivity to uncertain thermophysical properties is discussed.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Probabilistic Multi-Hazard Performance Assessment of Concrete Structures in Nuclear Installations

Concrete structures in nuclear installations are subject to time-dependent degradation mechanisms that can deteriorate their physical and mechanical properties, potentially exacerbating the risk of structural failure under external forces such as a seismic event. Previous research has extensively investigated the seismic response of nuclear concrete structures and the associated risk, as well as their effect on structural components safety margins. However, substantial work is still necessary to incorporate concrete aging effects into such evaluations. In fact, most models in the literature assume pristine concrete conditions and do not account for the impact of aging on the structural components’ fragility curves. This work identifies relevant time-dependent degradation mechanisms and provides simplified models to predict the the evolution of key material properties based on data from the literature. Namely, this work focuses on the aging effects of corrosion, alkali–silica reaction (ASR), and irradiation on reinforced concrete within US Department of Energy (DOE) nuclear facilities and nuclear power plants (NPP) structures. Furthermore, degradation models based on literature data are presented that define the relationship between probabilistic material properties and the concrete’s age. In this work, sampled material properties served as input for a simplified finite element model (FEM) of a critical nuclear structural system, with the output of the FEM being the seismic response for a given ground motion. The results of the FEM were then used within a probabilistic performance assessment with a statistically significant number of samples. The research presented herein addresses the detrimental effects of hazards caused by natural phenomena on deteriorated concrete elements of nuclear installations. This work directly benefits the safety analysis performed on US DOE/ National Nuclear Security Administration (NNSA) nuclear facilities located in areas prone to seismic activity. The results presented herein could aid in the improvement of DOE-STD-1020, the DOE Standard that addresses seismic risk analysis and capacity evaluation in DOE facilities. DOE-STD-1020 refers to the requirements in American Society of Civil Engineers (ASCE) 4-98, now superseded by ASCE 4-16, that shall be met in performing dynamic response analyses and generating in-structure response spectra, provided that such requirements are consistent with the requirements of ASCE/Structural Engineering Institute (SEI) 43-05. Moreover, the results presented herein could also aid in the updating of section C3.1.1. of ASCE 4-16 to account for the effects of aging on the stiffness of reinforced elements and American Concrete Institute (ACI) 349.3R-18, “Report on Evaluation and Repair of Existing Nuclear Safety-Related Concrete Structures.” Ultimately, this work can assist the risk assessment of potential lifetime extension of the existing US commercial nuclear fleet (light water reactors) and the safety analysis of the emerging advanced nuclear reactors. The proposed proof-of-concept methodology employs open-source DOE computational tools and is transferable to commercial software commonly used by engineering firms.

42 ENGINEERING↗
DOE OSTI2020

Variability in the Massive Open Cluster NGC 1817 from K2: A Rich Population of Asteroseismic Red Clump, Eclipsing Binary, and Main-sequence Pulsating Stars

We present a survey of variable stars detected in K2 Campaign 13 within the massive intermediate-age (∼1 Gyr) open cluster NGC 1817. We identify a complete sample of 44 red clump stars in the cluster, and have measured asteroseismic quantities (ν {sub max} and/or Δν) for 29 of them. Five stars showed suppressed dipole modes, and the occurrence rates indicate that mode suppression is unaffected by evolution through core helium burning. A subset of the giants in NGC 1817 (and in the similarly aged cluster NGC 6811) have ν {sub max} and Δν values at or near the maximum observed for core helium–burning stars, indicating they have core masses near the minimum for fully nondegenerate helium ignition. Further asteroseismic study of these stars can constrain the minimum helium core mass in red clump stars and the physics that determines this limit. Two giant stars show photometric variations on timescales similar to previously measured spectroscopic orbits. Thirteen systems in the field show eclipses, but only five are probable cluster members. We identify 32 δ Sct pulsators, 27 γ Dor candidates, and 7 hybrids that are probable cluster members, with most being new detections. We used the ensemble properties of the δ Sct stars to identify stars with possible radial pulsation modes. Among the oddities we have uncovered are: an eccentric orbit for a short-period binary containing a δ Sct pulsating star; a rare subgiant within the Hertzsprung gap showing δ Sct pulsations; and two hot γ Dor pulsating star candidates.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

The Origin of Star Formation in Early-type Galaxies Inferred from Spatially Resolved Spectroscopy

Abstract We investigate the origin of star formation activity in early-type galaxies with current star formation using spatially resolved spectroscopic data from the Mapping Nearby Galaxies at Apache Point Observatory in the Sloan Digital Sky Survey (SDSS). We first identify star-forming early-type galaxies from the SDSS sample, which are morphologically early-type but show current star formation activity in their optical spectra. We then construct comparison samples with different combinations of star formation activity and morphology, which include star-forming late-type galaxies, quiescent early-type galaxies, and quiescent late-type galaxies. Our analysis of the optical spectra reveals that the star-forming early-type galaxies have two distinctive episodes of star formation, which is similar to late-type galaxies but different from quiescent early-type galaxies with a single star formation episode. Star-forming early-type galaxies have properties in common with star-forming late-type galaxies, which include stellar population, gas and dust content, mass, and environment. However, the physical properties of star-forming early-type galaxies derived from spatially resolved spectroscopy differ from those of star-forming late-type galaxies in the sense that the gas in star-forming early-type galaxies is more concentrated than their stars, and is often kinematically misaligned with stars. The age gradient of star-forming early-type galaxies also differs from those of star-forming late-type galaxies. Our findings suggest that the current star formation in star-forming early-type galaxies has an external origin including galaxy mergers or accretion gas from the cosmic web.

Astronomy & Astrophysics↗
DOE OSTI2022

A parallel discrete dislocation dynamics/kinetic Monte Carlo method to study non-conservative plastic processes

Non-conservative processes play a fundamental role in plasticity and are behind important macroscopic phenomena such as creep, dynamic strain aging, loop raft formation, etc. In the most general case, vacancy-induced dislocation climb is the operating unit mechanism. While dislocation/vacancy interactions have been modeled in the literature using a variety of methods, the approaches developed rely on continuum descriptions of both the vacancy population and its fluxes. However, there are numerous situations in physics where point defect populations display heterogeneous concentrations and/or non-smooth kinetics. Here, a kinetic Monte Carlo (kMC) approach for modeling vacancy transport in response to arbitrary stress fields is used. Vacancies are treated as point particles and are coupled to the dislocation substructure representing a deformed material via an advection term defined by the local stress gradients. The stress fields and the dislocation substructure are evolved using a discrete dislocation dynamics (DDD) module. To extend the coupled model to the treatment of large systems, we have implemented it in the massively-parallel DDD code ParaDiS. To avoid numerical incompatibilities associated with merging deterministic (DDD) and stochastic (kMC) integration algorithms, we cast the entire elasto-plastic-diffusive problem within a single stochastic framework, taking advantage of a parallel kMC algorithm to evolve the system as a single event-driven process. The large-scale implementation enables the study of the evolution of a variety of dislocation-defect scenarios governed by non-conservative transport kinetics. After carrying out an exhaustive numerical and computational analysis of our parallel algorithm, we show results that emphasize situations where inhomogeneous vacancy dynamics are of relevance, and compare discrete kinetics to continuum solutions for several cases.

36 MATERIALS SCIENCE↗