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NASA NTRS2012

Characterization and Computational Modeling of Minor Phases in Alloy LSHR

The minor phases of powder metallurgy disk superalloy LSHR were studied. Samples were consistently heat treated at three different temperatures for long times to approach equilibrium. Additional heat treatments were also performed for shorter times, to assess minor phase kinetics in non-equilibrium conditions. Minor phases including MC carbides, M23C6 carbides, M3B2 borides, and sigma were identified. Their average sizes and total area fractions were determined. CALPHAD thermodynamics databases and PrecipiCalc(TradeMark), a computational precipitation modeling tool, were employed with Ni-base thermodynamics and diffusion databases to model and simulate the phase microstructural evolution observed in the experiments with an objective to identify the model limitations and the directions of model enhancement.

Jou, Herng-Jeng↗

NASA NTRS2013

U.S. Spacesuit Legacy: Maintaining it for the Future

The history of U.S. spacesuit development and its use are rich with information on lessons learned, and constitutes a valuable legacy to those designing spacesuits for the future, as well as to educators, students, and the general public. The genesis of lessons learned is best understood by studying the evolution of past spacesuit programs - how the challenges and pressures of the times influenced the direction of the various spacesuit programs. This paper shows how the legacy of various spacesuit-related programs evolved in response to these forces. Important aspects of how this U.S. spacesuit legacy is being preserved today is described, including the archiving of spacesuit hardware, important documents, videos, oral history, and the rapidly expanding U.S. Spacesuit Knowledge Capture program.

Chullen, Cinda↗

NASA NTRS2019

Cavity Ring Down Spectroscopy of Cold Neutral Phenanthrene and Phenanthridine in Supersonic Jets

Here we study the effect of nitrogen insertion on the electronic spectra of polycyclic aromatic hydrocarbon (PAH) molecules measured under laboratory conditions that are relevant for comparison with astronomical data. We examine the case of the substitution of carbon atoms by nitrogen atoms in the benzenoid skeleton of phenanthrene (C 14 H 10 ), a prototype non-compact PAH. The vibronic transitions of the 2 1 A 1 (S 1 )←X 1 A 1 (S 0 ) electronic absorption band system of neutral phenanthrene (C 14 H 10 ) and phenanthridine (C 13 H 9 N) molecules seeded in a supersonic free jet expansion of argon gas are measured in the 315-345 nm region using the cavity ring down spectroscopy (CRDS) technique. Additional measurements of the absorption spectra of the phenanthrene, phenanthridine, and 1,10-phenanthroline (C 12 H 8 N 2 ) molecules isolated in 10-K solid argon matrices are also presented. The results obtained confirm that laboratory spectra of cold, isolated molecules obtained under astrophysically relevant conditions are required for a direct, unambiguous comparison with astronomical observations as well as for the understanding of the physical evolution of the interstellar medium.

Absorption band↗

NASA NTRS2022

Modernizing NASA's Risk Classification System

NASA's risk classification system dates back to an era when every new NASA space mission was a one-of-a-kind build, and the only way to obtain reliability was as a by-product through a combination of reliability analyses, extensive and stringent quality requirements, and extensive testing. Originally, there were very limited commercial capabilities to develop systems to work reliably in space, so NASA considered its own homegrown approach the only recipe for success. This approach involved very detailed and prescriptive piece-part controls and no reliance on (and to some extent a rejection of) any type of commercial practices. Often risk was considered to be the lowest when NASA had the maximum amount of control and prescription, and the highest when commercial practices were largely employed, and these principles drove risk classification in the agency. Over time, however, commercial capabilities grew, and many products became standardized and commercialized, while the agency maintained its tried-and-true approach, paying little attention to the evolution of the commercial sector. In fact, the commercial sector was developing systems that have direct, proven reliability, established over time, while NASA still maintained the approach to ignore the reality of the commercialized aspects of standard products, label them as high risk, and attempt to change them to align with the agency's piece-part control practices. A table of mission classification vs lifetime for missions launched after 2000 indicates no correlation between lifetime and classification, with the few exceptions involving missions that have very limited objectives and no valid purpose to continue after they were met. This paper steps through some of the key historical elements in risk classification and NASA's overall approach to assurance, and presents some elements being brought forward to modernize the approach and take advantage of the growing capability in the commercial sector.

risk↗

NASA NTRS2022

Structural and chemical complexity of minerals: An update

The complexities of chemical composition and crystal structure are fundamental characteristics of minerals that have high relevance to the understanding of their stability, occurrence and evolution. This review summarises recent developments in the field of mineral complexity and outlines possible directions for its future elaboration. The database of structural and chemical complexity parameters of minerals is updated by H-correction of structures with unknown H positions and the inclusion of new data. The revised average complexity values (arithmetic means) for all minerals are 3.54(2) bits/atom and 345(10) bits/cell (based upon 4443 structure reports). The distributions of atomic information amounts, chemIG and strIG, versus the number of mineral species fit the normal modes, whereas the distributions of total complexities, chemIG,total and strIG,total, along with numbers of atoms per formula and per unit cell are log normal. The three most complex mineral species known today are ewingite, morrisonite and ilmajokite, all either discovered or structurally characterised within the last five years. The most important complexity-generating mechanisms in minerals are: (1) the presence of isolated large clusters; (2) the presence of large clusters linked together to form three-dimensional frameworks; (3) formation of complex three-dimensional modular frameworks; (4) formation of complex modular layers; (5) high hydration state in salts with complex heteropolyhedral units; and (6) formation of ordered superstructures of relatively simple structure types. The relations between symmetry and complexity are considered. The analysis of temporal dynamics of mineralogical discoveries since 1875 with the step of 25 years show the increasing chemical and structural complexities of human knowledge of the mineral kingdom in the history of mineralogy. In the Earth’s history, both diversity and complexity of minerals experience dramatic increases associated with the formation of Earth’s continental crust, initiation of plate tectonics and the Great Oxidation event.

complexity↗

DOE OSTI2025

Porosity, swelling, and composition evolution in high-burnup monolithic U-Mo fuel

The microstructural progression of very high-burnup (>8 × 10 21 fissions/cm 3 ) monolithic uranium-molybdenum (U-10wt.%Mo) was analyzed, providing crucial insights into the behavior of post-recrystallized nuclear fuel, where scant data exists. Three focused ion beam cuboids sourced from a fuel plate with varying local burnups of 8.86 × 10 21 , 9.05 × 10 21 , and 9.36 × 10 21 fissions/cm 3 were characterized. The porosity and composition of the samples were evaluated to characterize the evolution of the microstructure as a function of fission density and different locations on the fuel plate, while simultaneously isolating plate-specific parameters such as Zr diffusion barrier thickness, hot-isostatic-pressing conditions, enrichment, and reactor conditions. The porosity was segmented, and the three-dimensional distribution of the porosity was extrapolated from the two-dimensional segmentation. The composition was assessed and quantified using energy-dispersive X-ray spectroscopy areal mapping. The porosity fraction increased as a function of the burnup from 27.77±0.51, 35.12±1.54, and 37.71±0.44 % for 8.86 × 10 21 , 9.05 × 10 21 , and 9.36 × 10 21 fissions/cm 3 , respectively. When compared to literature, the porosity volume fraction plateaus at burnups greater than 6 × 10 21 fissions/cm 3 , while the pore size grows linearly as a function of fission density. The number of large pores increased in number density as a function of burnup, while the smallest pores (<0.3 µm) increased up to 9.05 × 10 21 fissions/cm 3 , followed by a decrease at 9.36 × 10 21 fissions/cm 3 . The delamination and cracking in the fuel plate propagated through an interconnected porosity sublayer identified ∼5 µm from the diffusion barrier. The local swelling of the specimens was within or near the prediction bounds of the Robinson-Williams model for local swelling. The fission products, strontium, barium, cerium, and cesium, precipitated into the pores, while neodymium accumulated adjacent to the pores. Furthermore, these findings have direct implications for the development of fuel performance codes and the accurate documentation of the microstructure evolution in high burnup U-Mo, thus enhancing the safety and efficiency of nuclear fuel usage.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

In Situ Characterization of Interface Evolution in Argyrodite‐Based All‐Solid‐State Li Batteries

Interfacial stability is one of the critical challenges in all-solid-state Li metal batteries. Multiple processes such as solid electrolyte (SE) decomposition and lithium dendrite growth take place at the solid interfaces during cycling, leading to the overall cell failure. To deconvolute these complex processes, in situ characterization is of paramount importance to elucidate the interfacial evolution on the SE upon Li plating/stripping. Herein, an all-solid-state asymmetric in situ cell is developed that allows the direct visualization of the highly localized Li plating/stripping processes under the optical microscope. Moreover, this cell configuration enables reliable post-mortem chemical and morphological analysis of the intact SE/Li interface. Using combined scanning electron microscopy and energy-dispersive X-ray spectroscopy, the study reveals that the evolution of the Li argyrodite interface is strongly influenced by the current density, particularly in terms of chemical distribution and Li plating morphology. More specifically, the solid interface is LiCl-rich with the formation of Li cubes at low current densities, while high currents result in more uniform elemental distribution and filament morphology. These findings elucidate the dynamic evolution mechanism at solid interfaces and offer valuable guidance for developing stable solid interfaces in all-solid-state Li metal batteries.

Huang, Di↗

DOE OSTI2025

Microstructure and CPO evolution of dynamically recrystallized olivine during complex deformation conditions: a full-field numerical modeling approach

The rheological properties of mantle rocks are strongly dependent on their crystallographic preferred orientation (CPO). Olivine CPO, defined by the orientation of seismically fast [100] axes parallel to flow direction, is also thought to be a dominant contributor to seismic anisotropy in the Earth's upper mantle. However, the amount of deformation needed to overprint a new CPO on a pre-existing fabric and the impact of the inherited CPOs on the transient microstructure evolution, remain unknown. This study employs a full-field numerical approach (VPFFT-ELLE) to explore the dynamic recrystallization and microstructural evolution of olivine polycrystalline aggregates under complex deformation conditions. We test four combinations of successive pure shear and simple shear boundary conditions. Findings indicate that inherited CPOs influence subsequent deformation in a manner dependent on the kinematic relationship between successive stages. In all cases, a minor strain increment (ε ∼0.3–0.6) is sufficient to erase the previous microstructure and CPO. However, when deformation conditions change dramatically (e.g., stretching direction changes orthogonally), the intensity of the new CPO developed is significantly lower and strain distribution are specially altered. During a transient strain stage, pre-existing microstructures undergo extensive reworking, especially when deformation conditions are changed dramatically, such as switching from simple shear to a pure shear condition with a parallel shortening direction relative to the stretching direction. We estimate the significance of these results in interpreting observations of seismic velocity anisotropy, concluding that P-wave seismic anisotropy is significantly and positively correlated with the evolution of olivine CPO with deformation history. This research underscores the transient nature of microstructural rearrangement in olivine aggregates and the necessity for caution in interpreting seismic anisotropy in regions with complex deformation histories, as inherited CPOs can influence current fabric development and induce deviation to the present deformation conditions.

36 MATERIALS SCIENCE↗

NASA NTRS2006

The Variance of Solar Wind Magnetic Fluctuations: Solutions and Further Puzzles

We study the dependence of the variance directions of the magnetic field in the solar wind as a function of scale, radial distance, and Alfvenicity. The study resolves the question of why different studies have arrived at widely differing values for the maximum to minimum power (approximately equal to 3:1 up to approximately equal to 20:1). This is due to the decreasing anisotropy with increasing time interval chosen for the variance, and is a direct result of the "spherical polarization" of the waves which follows from the near constancy of |B|. The reason for the magnitude preserving evolution is still unresolved. Moreover, while the long-known tendency for the minimum variance to lie along the mean field also follows from this view (as shown by Barnes many years ago), there is no theory for why the minimum variance follows the field direction as the Parker angle changes. We show that this turning is quite generally true in Alfvenic regions over a wide range of heliocentric distances. The fact that nonAlfvenic regions, while still showing strong power anisotropies, tend to have a much broader range of angles between the minimum variance and the mean field makes it unlikely that the cause of the variance turning is to be found in a turbulence mechanism. There are no obvious alternative mechanisms, leaving us with another intriguing puzzle.

Roberts, D. A.↗

NASA NTRS2010

Morphology and Distribution of Volcanic Vents in the Orientale Basin from Chandrayaan-1 Moon Mineralogy Mapper (M3) Data

One of the most fundamental questions in the geological and thermal evolution of the Moon is the nature and history of mantle melting and its relationship to the formation and evolution of lunar multi-ringed basins. Mare volcanic deposits provide evidence for the nature, magnitude and composition of mantle melting as a function of space and time [1]. Many argue that mantle partial melts are derived from depths well below the influence of multiringed basin impact events [1], while others postulate that the formation of these basins can cause mantle perturbations that are more directly linked to the generation ascent and eruption of mare basalts [2,3]. In any case, longer-term basin evolution will considerably influence the state and orientation of stress in the lithosphere, and the location of mare volcanic vents in basins as a function of time [4]. Thus, the location, nature and ages of volcanic vents and deposits in relation to multi-ringed impact basins provides evidence for the role that these basins played in the generation of volcanism or in the influence of the basins on surface volcanic eruption and deposit concentration. Unfortunately, most lunar multi-ringed impact basins have been eroded by impacts or filled with lunar mare deposits [5-8], with estimates of the thickness of mare fill extending up to more than six km in the central part of some basins [9-11]. The interior of most basins (e.g., Crisium, Serenitatis, Imbrium, Humorum) are almost completely covered and obscured. Although much is known about the lava filling of multi-ringed basins, and particularly the most recent deposits [5-8], little is known about initial stages of mare volcanism and its relationship to the impact event. One multi-ringed basin, Orientale, offers substantial clues to the relationships of basin interiors and mare basalt volcanism.

Head, James↗

NASA NTRS2011

Dynamical Evolution of Meteoroid Streams, Developments Over the Last 30 Years

As soon as reliable methods for observationally determining the heliocentric orbits of meteoroids and hence the mean orbit of a meteoroid stream in the 1950s and 60s, astronomers strived to investigate the evolution of the orbit under the effects of gravitational perturbations from the planets. At first, the limitations in the capabilities of computers, both in terms of speed and memory, placed severe restrictions on what was possible to do. As a consequence, secular perturbation methods, where the perturbations are averaged over one orbit became the norm. The most popular of these is the Halphen- Goryachev method which was used extensively until the early 1980s. The main disadvantage of these methods lies in the fact that close encounter can be missed, however they remain useful for performing very long-term integrations. Direct integration methods determine the effects of the perturbing forces at many points on an orbit. This give a better picture of the orbital evolution of an individual meteoroid, but many meteoroids have to be integrated in order to obtain a realistic picture of the evolution of a meteoroid stream. The notion of generating a family of hypothetical meteoroids to represent a stream and directly integrate the motion of each was probably first used by Williams Murray & Hughes (1979), to investigate the Quadrantids. Because of computing limitations, only 10 test meteoroids were used. Only two years later, Hughes et. al. (1981) had increased the number of particles 20-fold to 200 while after a further year, Fox Williams and Hughes used 500 000 test meteoroids to model the Geminid stream. With such a number of meteoroids it was possible for the first time to produce a realistic cross-section of the stream on the ecliptic. From that point on there has been a continued increase in the number of meteoroids, the length of time over which integration is carried out and the frequency with which results can be plotted so that it is now possible to produce moving images of the stream. As a consequence, over recent years, emphasis has moved to considering stream formation and the role fragmentation plays in this.

Williams, I. P.↗

NASA NTRS2005

In Review (Geology): Alpine Landscape Evolution Dominated by Cirque Retreat

Despite the abundance in alpine terrain of glacially dissected landscapes, the magnitude and geometry of glacial erosion can rarely be defined. In the eastern Kyrgyz Range, a widespread unconformity exhumed as a geomorphic surface provides a regional datum with which to calibrate erosion. As tectonically driven surface uplift has progressively pushed this surface into the zone of ice accumulation, glacial erosion has overprinted the landscape. With as little as 500 m of incision into rocks underlying the unconformity, distinctive glacial valleys display their deepest incision adjacent to cirque headwalls. The expansion of north-facing glacial cirques at the expense of south-facing valleys has driven the drainage divide southwards at rates up to 2 to 3 times the rate of valley incision. Existing ice-flux-based glacial erosion rules incompletely model expansion of glacial valleys via cirque retreat into the low-gradient unconformity remnants. Local processes that either directly sap cirque headwalls or inhibit erosion down-glacier appear to control, at least initially, alpine landscape evolution.

Oskin, Michael↗

NASA NTRS2010

Understanding Aerosol Direct Radiative Forcing - How Satellites Fit In

The aerosol data products from the NASA Earth Observing System's MISR and MODIS instruments provide significant advances in regional and global aerosol optical depth (AOD) mapping, aerosol type measurement, and source plume characterization from space. Although these products have been and are being used for many applications, ranging from regional air quality assessment, to aerosol air mass type identification and evolution, to aerosol injection height and aerosol transport model validation, uncertainties still limit the quantitative constraints these satellite data place on global-scale direct aerosol radiative forcing. Some further refinement of the current aerosol products is possible, but a major advance in this area seems to require a different paradigm, involving the integration of satellite and suborbital data with models. This presentation will briefly summarize where we stand, and what incremental advances we can expect, with the current aerosol products, and will then elaborate on some initial steps aimed at the necessary integration of data from multiple sources and models.

Kahn, R. A.↗

DOE OSTI2025

The development and evolution of biological AMS at Livermore: a perspective

Biological accelerator mass spectrometry (AMS) provides ultrasensitive carbon-14 isotopic analysis enabling a deeper understanding of human health concerns by enabling quantification of pharmacokinetics and other molecular endpoints directly in humans. It enables environmentally and human relevant studies of metabolic pathways through the use of very low concentrations of labeled metabolic substrates in cells and organisms. Here, we discuss why AMS is an important tool for the biosciences, the development and evolution of biological AMS at Livermore and discuss technical refinements that will improve the efficiency of operation for the measurement of ultra-trace levels of 14 C, which, long term, will enable greater ease of use and sample throughput.

47 OTHER INSTRUMENTATION↗

NASA NTRS1972

Metal-poor stars. IV - The evolution of red giants.

Detailed evolutionary calculations for six Population-II red giants are presented. The first five of these models are followed from the zero age main sequence to the onset of the helium flash. The sixth model allows the effect of direct electron-neutrino interactions to be estimated. The updated input physics and evolutionary code are described briefly. The results of the calculations are presented in a manner pertinent to later stages of evolutions and suitable for comparison with observations.

Rood, R. T.↗

NASA NTRS1998

Origin of the catalytic activity of bovine seminal ribonuclease against double-stranded RNA

Bovine seminal ribonuclease (RNase) binds, melts, and (in the case of RNA) catalyzes the hydrolysis of double-stranded nucleic acid 30-fold better under physiological conditions than its pancreatic homologue, the well-known RNase A. Reported here are site-directed mutagenesis experiments that identify the sequence determinants of this enhanced catalytic activity. These experiments have been guided in part by experimental reconstructions of ancestral RNases from extinct organisms that were intermediates in the evolution of the RNase superfamily. It is shown that the enhanced interactions between bovine seminal RNase and double-stranded nucleic acid do not arise from the increased number of basic residues carried by the seminal enzyme. Rather, a combination of a dimeric structure and the introduction of two glycine residues at positions 38 and 111 on the periphery of the active site confers the full catalytic activity of bovine seminal RNase against duplex RNA. A structural model is presented to explain these data, the use of evolutionary reconstructions to guide protein engineering experiments is discussed, and a new variant of RNase A, A(Q28L K31C S32C D38G E111G), which contains all of the elements identified in these experiments as being important for duplex activity, is prepared. This is the most powerful catalyst within this subfamily yet observed, some 46-fold more active against duplex RNA than RNase A.

Non-NASA Center↗

DOE OSTI2024

Contradictory Ambiguous Revocable Assertion Tracker (CARAT) Encoding

How data is encoded in a knowledge graph directly influences what can be done with that data. A common problem with many encodings is that they have difficulty representing ambiguity and evolution inherent in many real-world data sets. The data encoding represented in this paper (called CARAT) is a graph-level description of our attempt to capture data that is contradictory, ambiguous and evolves over time (including deleting information). The data encoding relies on tracking assertions about subjects rather than directly tracking states. This encoding decision resolves many issues our team had experienced using other data encodings but produces a a larger graph. This is a preliminary presentation of our experience with CARAT.

Cottam, Joseph A. [BATTELLE (PACIFIC NW LAB)]↗

DOE OSTI2025

A direct-adjoint approach for material point model calibration with application to plasticity

Here, this paper proposes a new approach for the calibration of material parameters in local elastoplastic constitutive models. The calibration is posed as a constrained optimization problem, where the constitutive model evolution equations for a single material point serve as constraints. The objective function quantifies the mismatch between the stress predicted by the model and corresponding experimental measurements. To improve calibration efficiency, a novel direct-adjoint approach is presented to compute the Hessian of the objective function, which enables the use of second-order optimization algorithms. Automatic differentiation is used for gradient and Hessian computations. Two numerical examples are employed to validate the Hessian matrices and to demonstrate that the Newton–Raphson algorithm consistently outperforms gradient-based algorithms such as L-BFGS-B.

36 MATERIALS SCIENCE↗