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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

The History of Monte Carlo and MCNP at Los Alamos [Slides]

The Monte Carlo method for radiation particle transport has its origins at LANL dating back to the 1940’s. The creators of these methods were Drs. Stanislaw Ulam, John von Neumann, Robert Richtmyer, and Nicholas Metropolis. Monte Carlo methods for particle transport have been driving computational developments since the beginning of modern computers; this continues today. In the 1950’s and 1960’s, these new methods were organized into a series of special-purpose Monte Carlo codes, including MCS, MCN, MCP, and MCG. These codes were able to transport neutrons and photons for specialized LANL applications. In 1977, these separate codes were combined to create the LANL Monte Carlo N-Particle (MCNP) radiation particle transport code. In 1983, MCNP3 was released for public distribution to the Radiation Safety Information Computational Center (RSICC). MCNP6.3 will be released late in 2021. Each year, LANL has ~100 MCNP new users and RSICC ~1250 new licenses distributed. This talk will review the Los Alamos history of the development of the modern Monte Carlo method and MCNP.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Perturbation theory for the logarithm of a positive operator

In various contexts in mathematical physics, such as out-of-equilibrium physics and the asymptotic information theory of many-body quantum systems, one needs to compute the logarithm of a positive unbounded operator. Examples include the von Neumann entropy of a density matrix and the flow of operators with the modular Hamiltonian in the Tomita-Takesaki theory. Often, one encounters the situation where the operator under consideration, which we denote by ∆, can be related by a perturbative series to another operator ∆ 0 , whose logarithm is known. We set up a perturbation theory for the logarithm log ∆. It turns out that the terms in the series possess a remarkable algebraic structure, which enables us to write them in the form of nested commutators plus some “contact terms”.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1987

On the validity of the modified equation approach to the stability analysis of finite-difference methods

The validity of the modified equation stability analysis introduced by Warming and Hyett was investigated. It is shown that the procedure used in the derivation of the modified equation is flawed and generally leads to invalid results. Moreover, the interpretation of the modified equation as the exact partial differential equation solved by a finite-difference method generally cannot be justified even if spatial periodicity is assumed. For a two-level scheme, due to a series of mathematical quirks, the connection between the modified equation approach and the von Neuman method established by Warming and Hyett turns out to be correct despite its questionable original derivation. However, this connection is only partially valid for a scheme involving more than two time levels. In the von Neumann analysis, the complex error multiplication factor associated with a wave number generally has (L-1) roots for an L-level scheme. It is shown that the modified equation provides information about only one of these roots.

Chang, Sin-Chung↗
NASA NTRS2022

Brief Communication: Preliminary ICESat-2 (Ice, Cloud and Land Elevation Satellite-2) Measurements of Outlet Glaciers Reveal Heterogeneous Patterns of Seasonal Dynamic Thickness Change

Dynamic changes of marine-terminating outlet glaciers are projected to be responsible for about half of future ice loss from the Greenland Ice Sheet. However, we lack a unified, process-based understanding that can explain the observed dynamic changes of all outlet glaciers. Many glaciers undergo seasonal dynamic thickness changes, and classifying the patterns of seasonal thickness change can improve our understanding of the processes that drive glacier behavior. The Ice, Cloud and land Elevation Satellite-2 (ICESat-2) provides space-based, seasonally repeating altimetry measurements of the ice sheets, allowing us to quantify near-termini seasonal dynamic thickness patterns of 37 outlet glaciers around the Greenland Ice Sheet. We classify the glaciers into seven common patterns of seasonal thickness change over a 2-year period from 2019 to 2020. We find small groupings of neighboring glaciers with similar patterns of seasonal thickness change, but, within larger sectors of the ice sheet, patterns of seasonal thickness change are mostly heterogeneous. Future studies can build upon our results by extending these time series, comparing seasonal dynamic thickness changes with external forcings, such as ocean temperature and meltwater runoff, and with other dynamic variables such as seasonal glacier velocity and terminus position changes.

Christian J Taubenberger↗
DOE OSTI2023

iMaNGA: mock MaNGA galaxies based on IllustrisTNG and MaStar SSPs – II. The catalogue

ABSTRACT Strengthening the synergy between simulations and observations is essential to test galaxy formation and evolution theories. To achieve this goal, in the first paper of this series, we presented a method to generate mock SDSS-IV/Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) integral-field spectroscopic galaxy observations from cosmological simulations. In this second paper, we build the iMaNGA catalogue consisting of ∼1000 unique galaxies from the TNG50 cosmological simulations, selected to mimic the SDSS-IV/MaNGA-Primary sample selection. Here, we present and discuss the iMaNGA sample and its comparison to the MaNGA Primary catalogue. The iMaNGA sample well recovers the MaNGA-Primary sample in terms of stellar mass versus angular size relation and spatial resolution. The Sérsic index versus angular size relation, instead, is not reproduced well by the simulations, mostly because of a paucity of high-mass elliptical galaxies in TNG50. We also investigate our ability to recover the galaxy kinematics and stellar population properties with full-spectral fitting. We demonstrate that ‘intrinsic’ and ‘recovered’ stellar kinematics, stellar ages, and metallicities are consistent, with residuals compatible with zero within 1σ. Also ‘intrinsic’ and ‘recovered’ star formation histories display a great resemblance. We conclude that our mock generation and spectral fitting processes do not distort the ‘intrinsic’ galaxy properties. Therefore, in the third paper of this series, we can meaningfully test the cosmological simulations, comparing the stellar population properties and kinematics of the iMaNGA mock galaxies and the MaNGA observational results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Shaping the Water-Harvesting Behavior of Metal–Organic Frameworks Aided by Fine-Tuned GPT Models

Here, we construct a data set of metal–organic framework (MOF) linkers and employ a fine-tuned GPT assistant to propose MOF linker designs by mutating and modifying the existing linker structures. This strategy allows the GPT model to learn the intricate language of chemistry in molecular representations, thereby achieving an enhanced accuracy in generating linker structures compared with its base models. Aiming to highlight the significance of linker design strategies in advancing the discovery of water-harvesting MOFs, we conducted a systematic MOF variant expansion upon state-of-the-art MOF-303 utilizing a multidimensional approach that integrates linker extension with multivariate tuning strategies. We synthesized a series of isoreticular aluminum MOFs, termed Long-Arm MOFs (LAMOF-1 to LAMOF-10), featuring linkers that bear various combinations of heteroatoms in their five-membered ring moiety, replacing pyrazole with either thiophene, furan, or thiazole rings or a combination of two. Beyond their consistent and robust architecture, as demonstrated by permanent porosity and thermal stability, the LAMOF series offers a generalizable synthesis strategy. Importantly, these 10 LAMOFs establish new benchmarks for water uptake (up to 0.64 g g –1 ) and operational humidity ranges (between 13 and 53%), thereby expanding the diversity of water-harvesting MOFs.

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

Dynamics of voltage-driven oscillating insulator-metal transitions

Recent experiments demonstrated emerging alternating insulator and metal phases in Mott insulators actuated by a direct bias voltage, leading to oscillating voltage outputs with characteristic frequencies. Here, we develop a physics-based nonequilibrium model to describe the dynamics of oscillating insulator-metal phase transitions and experimentally validate it using a VO 2 device as a prototype. The oscillation frequency is shown to scale monotonically with the bias voltage and series resistance and terminate abruptly at lower and upper device-dependent limits, which are dictated by the nonequilibrium carrier dynamics. Here, we derive an approximate analytical expression for the dependence of the frequency on the device operating parameters, which yields a fundamental limit to the frequency and may be utilized to provide guidance to potential applications of insulator-metal transition materials as building blocks of brain-inspired non-von Neumann computers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2012

Gravity Recovery and Interior Laboratory (GRAIL) Mission: Status at the Initiation of the Science Mapping Phase

The Gravity Recovery And Interior Laboratory (GRAIL) mission, a component of NASA's Discovery Program, launched successfully from Cape Canaveral Air Force Station on September 10, 2011. The dual spacecraft traversed independent, low-energy trajectories to the Moon via the EL-1 Lagrange point and inserted into elliptical, 11.5-hour polar orbits around the Moon on December 31, 2011, and January 1, 2012. The spacecraft are currently executing a series of maneuvers to circularize their orbits at 55-km mean altitude. Once the mapping orbit is achieved, the spacecraft will undergo additional maneuvers to align them into mapping configuration. The mission is on track to initiate the Science Phase on March 8, 2012.

Zuber, Maria T.↗
NASA NTRS2018

Next-Generation Fluids-Related Biology Research Utilizing the Zero Gravity Research Facility at NASA Glenn Research Center

In order to gain insight into how cells sense gravity, NASA has developed a platform to investigate the transient (short-term) response of biological cells to a sudden exposure to microgravity. Utilizing NASA's Zero Gravity Research Facility offers unique capabilities and opportunity to investigate this phenomena. A review of current literature indicates that it remains unclear how biological cells sense and respond to gravitational forces. It is believed that a combination of bio-structural and fluid transport mechanisms are at play. This Technical Memorandum outlines a pathway to address this fundamental biological challenge. A series of low-cost systematic drop tower experiments were conducted to observe the biomechanical behavior of cell membranes (such as vestibular hair, endothelial, and bone cells) that are known to exhibit sensitivity to gravity. These experiments demonstrated a useful, low cost experiment concept that can potentially be employed by researchers interested in observing, identifying and characterizing changes in biological cell morphology.

Fluids for Biology↗
NASA NTRS2004

Geomorphologic Studies of a Very Long Lava Flow in Tharsis, Mars

CEPS has undertaken an extended study of long lava flows on the terrestrial planets, their location, morphology, and potential modes of emplacement. As part of this ongoing investigation, we have concentrated on a single large flow in Tharsis, with noted similarities to several terrestrial analogs. An impressive series of lava flows emerges from the topographic saddle between Ascraeus and Pavonis Mons. The most prominent of these (hereafter referred to as the 'Saddle Flow') has distinct margins that can be traced for over 480 km in the Viking images, although its exact source cannot be identified. A multimodal approach is utilized in the examination of the Saddle Flow, including image interpretation (VIKING and THEMIS, MOLA topographic analysis and flow profiling, downflow behavior statistical analysis, rheologic modeling, and GIS modeling and integration.

Peitersen, M. N.↗
NASA NTRS1994

A fast numerical solution of scattering by a cylinder: Spectral method for the boundary integral equations

It is known that the exact analytic solutions of wave scattering by a circular cylinder, when they exist, are not in a closed form but in infinite series which converges slowly for high frequency waves. In this paper, we present a fast number solution for the scattering problem in which the boundary integral equations, reformulated from the Helmholtz equation, are solved using a Fourier spectral method. It is shown that the special geometry considered here allows the implementation of the spectral method to be simple and very efficient. The present method differs from previous approaches in that the singularities of the integral kernels are removed and dealt with accurately. The proposed method preserves the spectral accuracy and is shown to have an exponential rate of convergence. Aspects of efficient implementation using FFT are discussed. Moreover, the boundary integral equations of combined single and double-layer representation are used in the present paper. This ensures the uniqueness of the numerical solution for the scattering problem at all frequencies. Although a strongly singular kernel is encountered for the Neumann boundary conditions, we show that the hypersingularity can be handled easily in the spectral method. Numerical examples that demonstrate the validity of the method are also presented.

Hu, Fang Q.↗
NASA NTRS2010

Aerothermal Protuberance Heating Design and Test Configurations for Ascent Vehicle Design

A series of tests were conducted to evaluate protuberance heating for the purposes of vehicle design and modification. These tests represent a state of the art approach to both testing and instrumentation for defining aerothermal protuberance effects on the protuberance and surrounding areas. The testing was performed with a number of wind tunnel entries beginning with the proof of concept "pathfinder" test in the Test Section 1 (TS1) tunnel in the Langley Unitary Plan Wind Tunnel (UPWT). The TS1 section (see Figures 1a and 1b) is a lower Mach number tunnel and the Test Section 2 (TS2) has overlapping and higher Mach number capability as showin in Figure 1c. The pathfinder concept was proven and testing proceeded for a series of protuberance tests using an existing splitter aluminum protuberance mounting plate, Macor protuberances, thin film gages, total temperature and pressure gages, Kulite pressure transducers, Infra-Red camera imaging, LASER velocimetry evaluations and the UPWT data collection system. A boundary layer rake was used to identify the boundary layer profile at the protuberance locations for testing and helped protuberance design. This paper discusses the techniques and instrumentation used during the protuberance heating tests performed in the UPWT in TS1 and TS2. Runs of the protuberances were made Mach numbers of 1.5, 2.16, 2.65, and 3.51. The data set generated from this testing is for ascent protuberance effects and is termed Protuberance Heating Ascent Data (PHAD) and this testing may be termed PHAD-1 to distinguish it from future testing of this type.

Martin, Charles E.↗
NASA NTRS2020

Comparisons of Satellite and Airborne Altimetry with Ground-Based Data from the Interior of the Antarctic Ice Sheet

A series of traverses has been conducted for validation of the NASA Ice, Cloud, and land Elevation Satellite 2 on the flat interior of the Antarctic ice sheet. GNSS data collected on three separate 88S Traverses intersect 20% of the ICESat-2 reference ground tracks and have precisions of better than ±7 cm and biases of less than ~4 cm. Data from these traverses were used to assess heights from ICESat-2, CryoSat-2, and Airborne Topographic Mapper (ATM). ICESat-2 heights have better than ±3.3 cm bias and better than ±7.2 cm precision. ATM heights have better than 9.3 cm bias and better than ±9.6 cm precision. CryoSat-2 heights have -38.9 cm of bias and ± 47.3 cm precision. These best-case results are from the flat ice-sheet interior but provide a characterization of the quality of satellite and airborne altimetry.

K. M. Brunt↗
NASA NTRS2012

Gravity Recovery and Interior Laboratory (GRAIL) Mission: Mission Status and Initial Science Results

The Gravity Recovery and Interior Laboratory (GRAIL) Mission is a component of the NASA Discovery Program. GRAIL is a twin-spacecraft lunar gravity mission that has two primary objectives: to determine the structure of the lunar interior, from crust to core; and to advance understanding of the thermal evolution of the Moon. GRAIL launched successfully from the Cape Canaveral Air Force Station on September 10, 2011, executed a low-energy trajectory to the Moon, and inserted the twin spacecraft into lunar orbit on December 31, 2011 and January 1, 2012. A series of maneuvers brought both spacecraft into low-altitude (55-km), near-circular, polar lunar orbits, from which they perform high-precision satellite-to-satellite ranging using a Ka-band payload along with an S-band link for time synchronization. Precise measurements of distance changes between the spacecraft are used to map the lunar gravity field. GRAIL completed its primary mapping mission on May 29, 2012, collecting and transmitting to Earth >99.99% of the possible data. Spacecraft and instrument performance were nominal and has led to the production of a high-resolution and high-accuracy global gravity field, improved over all previous models by two orders of magnitude on the nearside and nearly three orders of magnitude over the farside. The field is being used to understand the thickness, density and porosity of the lunar crust, the mechanics of formation and compensation states of lunar impact basins, and the structure of the mantle and core. GRAIL s three month-long-extended mission will initiate on August 30, 2012 and will consist of global gravity field mapping from an average altitude of 22 km.

Neumann, Gregory A.↗
NASA NTRS2015

The Gravity Field of Mercury After the Messenger Low-Altitude Campaign

The final year of the MESSENGER mission was designed to take advantage of the remaining propellant onboard to provide a series of lowaltitude observation campaigns and acquire novel scientific data about the innermost planet. The lower periapsis altitude greatly enhances the sensitivity to the short-wavelength gravity field, but only when the spacecraft is in view of Earth. After more than 3 years in orbit around Mercury, the MESSENGER spacecraft was tracked for the first time below 200-km altitude on 5 May 2014 by the NASA Deep Space Network (DSN). Between August and October, periapsis passages down to 25-km altitude were routinely tracked. These periods considerably improved the quality of the data coverage. Before the end of its mission, MESSENGER will fly at very low altitudes for extended periods of time. Given the orbital geometry, however the periapses will not be visible from Earth and so no new tracking data will be available for altitudes lower than ~75 km. Nevertheless, the continuous tracking of MESSENGER in the northern hemisphere will help improve the uniformity of the spatial coverage at altitudes lower than ~150 km, which will further improve the overall quality of the Mercury gravity field.

Mercury↗
NASA NTRS2017

Assessment of NASA Airborne Laser Altimetry Data Using Ground-Based GPS Data near Summit Station, Greenland

A series of NASA airborne lidars have been used in support of satellite laser altimetry missions. These airbornelaser altimeters have been deployed for satellite instrument development, for spaceborne data validation, and to bridge the data gap between satellite missions. We used data from ground-based Global Positioning System (GPS) surveys of an 11 km long track near Summit Station, Greenland, to assess the surface elevation bias and measurement precision of three airborne laser altimeters including the Airborne Topographic Mapper (ATM), the Land, Vegetation, and Ice Sensor (LVIS), and the Multiple Altimeter Beam Experimental Lidar (MABEL). Ground-based GPS data from the monthly ground-based traverses, which commenced in 2006, allowed for the assessment of nine airborne lidar surveys associated with ATM and LVIS between 2007 and 2016. Surface elevation biases for these altimeters over the flat, ice-sheet interior are less than 0.12 m, while assessments of measurement precision are 0.09 m or better. Ground-based GPS positions determined both with and without differential post-processing techniques provided internally consistent solutions. Results from the analyses of ground-based and airborne data provide validation strategy guidance for the Ice, Cloud, and land Elevation Satellite 2 (ICESat-2) elevation and elevation-change data products.

Summit Station↗
DOE OSTI2024

Three-Dimensional Ultrastructure of Arabidopsis Cotyledons Infected with Colletotrichum higginsianum

We used serial block-face scanning electron microscopy (SBF-SEM) to study the host–pathogen interface between Arabidopsis cotyledons and the hemibiotrophic fungus Colletotrichum higginsianum. By combining high-pressure freezing and freeze-substitution with SBF-SEM, followed by segmentation and reconstruction of the imaging volume using the freely accessible software IMOD, we created 3D models of the series of cytological events that occur during the Colletotrichum–Arabidopsis susceptible interaction. We found that the host cell membranes underwent massive expansion to accommodate the rapidly growing intracellular hypha. As the fungal infection proceeded from the biotrophic to the necrotrophic stage, the host cell membranes went through increasing levels of disintegration culminating in host cell death. Intriguingly, we documented autophagosomes in proximity to biotrophic hyphae using transmission electron microscopy (TEM) and a concurrent increase in autophagic flux between early to mid/late biotrophic phase of the infection process. Occasionally, we observed osmiophilic bodies in the vicinity of biotrophic hyphae using TEM only and near necrotrophic hyphae under both TEM and SBF-SEM. Overall, we established a method for obtaining serial SBF-SEM images, each with a lateral ( x-y) pixel resolution of 10 nm and an axial ( z) resolution of 40 nm, that can be reconstructed into interactive 3D models using the IMOD. Application of this method to the Colletotrichum–Arabidopsis pathosystem allowed us to more fully understand the spatial arrangement and morphological architecture of the fungal hyphae after they penetrate epidermal cells of Arabidopsis cotyledons and the cytological changes the host cell undergoes as the infection progresses toward necrotrophy. [Formula: see text] Copyright © 2024 The Author(s). This is an open access article distributed under the CC BY 4.0 International license .

Biochemistry & Molecular Biology↗
DOE OSTI2024

Comparing Pr 3+ and Nd 3+ for deactivating the Er 3+ : 4 I 13/2 level in lanthanum titanate glass

Erbium lanthanum titanate glasses were prepared by levitation melting for the spectroscopic study of ways to promote the mid-infrared fluorescence. Two series of heavily erbium doped glasses (15 wt%) were prepared with the addition of either Pr 3+ or Nd 3+ in amounts relative to Er 3+ of 0.05, 0.1, and 0.2. Both ions quench the lower Er 3+ laser level with the Pr 3+ doing so more rapidly. Although high co-dopant concentrations result in higher energy transfer, as clearly evidenced in upconversion and downconversion fluorescence measurements, the mid-infrared lifetime also suffers a reduction and, therefore, a balance must be struck in the co-dopant concentration. Lifetime and spectral measurements indicate that, at a fixed relative co-dopant amount, Pr 3+ is more effective than Nd 3+ at removing the bottleneck of the Er 3+ 4 I 13/2 level. Moreover, consideration of the lifetimes alongside the absorption data of the individual ions indicates that despite the large absorption cross-section of Nd 3+ at 808 nm, the concentration needed to yield more absorbed power than utilizing direct 976 nm excitation of Er 3+ results in unfavorable lifetimes of the mid-infrared transition. In the end, Pr 3+ prevails as the superior co-dopant in terms of the effects on fluorescence lifetimes as well as potential laser system design considerations. In a unique self-doping approach, a reducing melt atmosphere of Ar instead of O 2 creates a small fraction of Ti 3+ . In 5Er 2 O 3 -12La 2 O 3 -83TiO 2 glass, the presence of Ti 3+ quenches the 4 I 13/2 emission about 2.6 times more than the 4 I 11/2 when lifetimes are compared to an O 2 melt environment. As an additional means of increasing the mid-infrared emission, the effect of temperature on the mid- and near- infrared lifetimes of a lightly doped lanthanum titanate composition is investigated between 77-300 K. The mid-infrared lifetime increases by ∼30% while the near-infrared lifetime increases by ∼10%, which suggests in addition to co-doping, active cooling of the gain media will further enhance performance.

Materials Science↗