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At least 811 records · Page 45

Particle-number distribution in large fluctuations at the tip of branching random walks

Here, we investigate properties of the particle distribution near the tip of one-dimensional branching random walks at large times t , focusing on unusual realizations in which the rightmost lead particle is very far ahead of its expected position, but still within a distance smaller than the diffusion radius ~$\sqrt{t}$. Our approach consists in a study of the generating function $G_{Δx}(λ) = Σ_n$ ${λ^n}p_n(Δx)$ for the probabilities $p_n(Δx)$ of observing $\textit{n}$ particles in an interval of given size $Δ\textit{x}$ from the lead particle to its left, fixing the position of the latter. This generating function can be expressed with the help of functions solving the Fisher-Kolmogorov-Petrovsky-Piscounov (FKPP) equation with suitable initial conditions. In the infinite-time and large-$Δ\textit{x}$ limits, we find that the mean number of particles in the interval grows exponentially with $Δ\textit{x}$, and that the generating function obeys a nontrivial scaling law, depending on $Δ\textit{x}$ and λ through the combined variable $[Δx — f(λ)]^3 / Δx^2$, where $\textit{f}$(λ) ≡ – ln(1 – λ) – ln [– ln(1 – λ)]. From this property, one may conjecture that the growth of the typical particle number with the size of the interval is slower than exponential, but, surprisingly enough, only by a subleading factor at large Δ$\textit{x}$. The scaling we argue is consistent with results from a numerical integration of the FKPP equation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The DESI DR1 Peculiar Velocity Survey: Global Zero-point and H 0 Constraints

The Dark Energy Spectroscopic Instrument (DESI) in its first Data Release (DR1) already provides more than 100,000 galaxies with relative distance measurements. The primary purpose of this paper is to perform the calibration of the zero-point for the DESI Fundamental Plane and Tully–Fisher relations, which allows us to measure the Hubble constant, H 0 . This sample has a lower statistical uncertainty than any previously used to measure H 0 , and we investigate the systematic uncertainties in absolute calibration that could limit the accuracy of that measurement. We improve upon the DESI Early Data Release Fundamental Plane H 0 measurement by (a) using a group catalog to increase the number of calibrator galaxies and (b) investigating alternative calibrators in the nearby Universe. Our baseline measurement calibrates to the SH0ES/Pantheon+ type Ia supernovae, and finds H 0 = 73.7 ± 0.06 (stat.) ± 1.1 (syst.) km s −1 Mpc −1 . Calibrating to surface brightness fluctuation distances yields a similar H 0 . We explore measurements using other calibrators, but these are currently less precise since the overlap with DESI peculiar velocity tracers is much smaller. In future data releases with an even larger peculiar velocity sample, we plan to calibrate directly to Cepheids and the tip of the red giant branch, which will enable the uncertainty to decrease towards a percent-level measurement of H 0 . This will provide an alternative to supernovae as the Hubble flow sample for H 0 measurements.

Carr, Anthony [Korea Astronomy and Space Science I↗

SWOT: The Surface Water and Ocean Topography Mission. Wide- Swath Altimetric Elevation on Earth

The elevation of the surface of the ocean and freshwater bodies on land holds key information on many important processes of the Earth System. The elevation of the ocean surface, called ocean surface topography, has been measured by conventional nadirlooking radar altimeter for the past two decades. The data collected have been used for the study of large-scale circulation and sea level change. However, the spatial resolution of the observations has limited the study to scales larger than about 200 km, leaving the smaller scales containing substantial kinetic energy of ocean circulation that is responsible for the flux of heat, dissolved gas and nutrients between the upper and the deep ocean. This flux is important to the understanding of the ocean's role in regulatingfuture climate change.The elevation of the water bodies on land is a key parameter required for the computation of storage and discharge of freshwater in rivers, lakes, and wetlands. Globally, the spatial and temporal variability of water storage and discharge is poorly known due to the lack of well-sampled observations. In situ networks measuring river flows are declining worldwide due to economic and political reasons. Conventional altimeter observations suffers from the complexity of multiple peaks caused by the reflections from water, vegetation canopy and rough topography, resulting in much less valid data over land than over the ocean. Another major limitation is the large inter track distance preventing good coverage of rivers and other water bodies.This document provides descriptions of a new measurement technique using radar interferometry to obtain wide-swath measurement of water elevation at high resolution over both the ocean and land. Making this type of measurement, which addresses the shortcomings of conventional altimetry in both oceanographic and hydrologic applications, is the objective of a mission concept called Surface Water and Ocean Topography (SWOT), which was recommended by the National Research Council's first decadal survey of NASA's Earth science program. This document provides wide-ranging examples of research opportunities in oceanography and land hydrology that would be enabled by the new type of measurement. Additional applications in many other branches of Earth System science ranging from ocean bathymetry to sea ice dynamics are also discussed. Many of the technical issues in making the measurement are discussed as well. Also presented is a preliminary design of the SWOT Mission concept, which is being jointly developed by NASA and CNES, with contributions from the Canadian Space Agency.

altimetry↗

Quantative Measurements of Trace Elements and Three-Dimensional Atomic Scale Characterisation of Presolar O-rich Oxides and Silicates: An Atom Probe Tomography Approach

Presolar grains are recordsof a single moment in stellar evolution which have survived nebula and parent body processingwithin our Solar System. These grains condensed within a range of stellar envi-ronments including asymptotic giant branch stars, red giant branch stars, nova, supernova (SN) and hydrogen burning electron capture supernova(ECSN)[1,2]. Iso-topic and chemical compositions can be used to unravel details about environmental conditions at the time of their condensation and physical and chemical processes occurring at the time. For example,nucleosynthesis, stellar evolution, physical properties of stellar atmos-pheres, mixing from inner core to outer envelope, galac-tic chemical evolution, interstellar medium and parent body processing.NanoSIMS enables detailed characterisation of iso-topic compositions and rapid in situidentification of O-rich presolar oxides and silicates using their character-istic 17O/16O and 18O/16O isotopic ratios.Spectroscopic techniques e.g., auger spectroscopyand transmission electron microscopy, have provided additional details on major and minor chemical signatures. However, due tospatial resolution limitations,interaction volumes and interferencesfrom surrounding grains for in situtech-niques, attaining quantative characterisation of trace el-ements,hasproved challenging[1,3]. As the most sensitive geochemical tracers of envi-ronmental changes, trace elements are essential to un-ravelling the geochemical record of their parent stellar environments and evolutionary pathways[4].We car-ried out correlated in situisotopic and chemical analyses of 13 presolar grains to better understand stellar evolu-tion. In this work, we achieved this using a custom ap-proach, coordinating NanoSIMS, Scanning Electron Microscopy Energy Dispersive X-Ray Spectroscopy (SEM-EDX)and Atom Probe Tomography(APT).Our objective was to develop an approach which could ena-ble precise targeting of presolar grains for atom probe tomography and successfully execute atomic scale anal-yses of presolar oxides and silicates, to achieve quantative analysis of their trace elements for the first time.We also aimed to test the capability for Atom Probe tomography to measure isotopic compositions and stoichiometries of presolar oxide and silicate grains.

N D Nevill↗

Edge treatment for spurious mode suppression in thin-film lithium niobate resonators

Abstract Thin-film lithium niobate is an attractive material for RF acoustic devices because of its high electromechanical coupling. However, due to the large coupling and the high anisotropy, thin-film lithium niobate resonators are prone to accidental resonances called spurious modes. These modes compromise the frequency response of the resonators, limiting their use in filter and oscillator applications. In this work, we present a novel method of spurious mode suppression through a special edge treatment etch process. Two thin-film lithium niobate resonators were fabricated, one with smooth sidewalls and one with the edge treatment. It was found that the edge-treated resonators show a weaker spurious mode response. This is potentially a new way to mitigate spurious resonances, a major issue in lithium niobate Lamb wave devices.

36 MATERIALS SCIENCE↗

Asymptotic reversibility of thermal operations for interacting quantum spin systems via generalized quantum Stein’s lemma

Abstract For quantum spin systems in any spatial dimension with a local, translation-invariant Hamiltonian, we prove that asymptotic state convertibility from a quantum state to another one by a thermodynamically feasible class of quantum dynamics, called thermal operations, is completely characterized by the Kullback–Leibler (KL) divergence rate, if the state is translation-invariant and spatially ergodic. Our proof consists of two parts and is phrased in terms of a branch of the quantum information theory called the resource theory. First, we prove that any states, for which the min and max Rényi divergences collapse approximately to a single value, can be approximately reversibly converted into one another by thermal operations with the aid of a small source of quantum coherence. Second, we prove that these divergences collapse asymptotically to the KL divergence rate for any translation-invariant ergodic state. We show this via a generalization of the quantum Stein’s lemma for quantum hypothesis testing beyond independent and identically distributed situations. Our result implies that the KL divergence rate serves as a thermodynamic potential that provides a complete characterization of thermodynamic convertibility of ergodic states of quantum many-body systems in the thermodynamic limit, including out-of-equilibrium and fully quantum situations.

Physics↗

Man-Made Closed Ecological Systems as Model of Natural Ecosystems and as Means to Provide High Quality of Human Life in Adverse Environment

For its more than thirty year long history, the experimental creation of closed ecological systems has from its very sources been distinctly and strongly motivated by the development of human life-support systems for space. As the trend developed its fundamental significance and broad opportunities of terrestrial applications of the technologies under development were coming to the foreground. Nowadays, it can be argued that development of closed ecosystems is experimental foundation of a new branch of ecology biospherics, the goal of which is to comprehend the regularities of existence of the biosphere as a unique in the Universe (in that part of it that we know, at least) closed ecosystem. Closed technologies can be implemented in life-support systems under adverse conditions of life on the Earth - in Arctic and Antarctic latitudes, deserts, high mountains or deep in the ocean, as well as under the conditions of polluted water and air. In space where the environment is hostile for life all around the cell of life should be sealed and the life-support system as close to the ideally closed cyclic turnover of the matter as possible. Under terrestrial conditions designers should strive for maximum closure of the limiting factor: water - in deserts, oxygen - in high mountains, energy - in polar latitudes, etc. Essential closure of a life-support systems withstands also pollution of the environment by the wastes of human vital activity. This is of particular importance for the quarantine of visited planets, and on the Earth under the conditions of deficient heat in high latitudes and water in and areas. The report describes experimental ecosystem 'BIOS' and exohabitats being designed on its basis, which are adapted to various conditions, described capacities of the Center for Closed Ecosystems in Drasnoyarsk for international collaboration in research and education in this field.

Gitelson, I. I.↗

Random Polymerization Strategy Leads to a Family of Donor Polymers Enabling Well‐Controlled Morphology and Multiple Cases of High‐Performance Organic Solar Cells

Abstract Developing high‐performance donor polymers is important for nonfullerene organic solar cells (NF‐OSCs), as state‐of‐the‐art nonfullerene acceptors can only perform well if they are coupled with a matching donor with suitable energy levels. However, there are very limited choices of donor polymers for NF‐OSCs, and the most commonly used ones are polymers named PM6 and PM7, which suffer from several problems. First, the performance of these polymers (particularly PM7) relies on precise control of their molecular weights. Also, their optimal morphology is extremely sensitive to any structural modification. In this work, a family of donor polymers is developed based on a random polymerization strategy. These polymers can achieve well‐controlled morphology and high‐performance with a variety of chemical structures and molecular weights. The polymer donors are D–A1–D–A2‐type random copolymers in which the D and A1 units are monomers originating from PM6 or PM7, while the A2 unit comprises an electron‐deficient core flanked by two thiophene rings with branched alkyl chains. Consequently, multiple cases of highly efficient NF‐OSCs are achieved with efficiencies between 16.0% and 17.1%. As the electron‐deficient cores can be changed to many other structural units, the strategy can easily expand the choices of high‐performance donor polymers for NF‐OSCs.

Liang, Jiaen↗

Language models for materials discovery and sustainability: Progress, challenges, and opportunities

Significant advancements have been made in one of the most critical branches of artificial intelligence: natural language processing (NLP). These advancements are exemplified by the remarkable success of OpenAI’s GPT-3.5/4 and the recent release of GPT-4.5, which have sparked a global surge of interest akin to an NLP gold rush. Here, in this article, we offer our perspective on the development and application of NLP and large language models (LLMs) in materials science. We begin by presenting an overview of recent advancements in NLP within the broader scientific landscape, with a particular focus on their relevance to materials science. Next, we examine how NLP can facilitate the understanding and design of novel materials and its potential integration with other methodologies. To highlight key challenges and opportunities, we delve into three specific topics: (i) the limitations of LLMs and their implications for materials science applications, (ii) the creation of a fully automated materials discovery pipeline, and (iii) the potential of GPT-like tools to synthesize existing knowledge and aid in the design of sustainable materials.

36 MATERIALS SCIENCE↗

Root architectural plasticity optimizes nutrient acquisition in switchgrass under variable phosphorus forms

Aims Understanding the influence of different forms of phosphorus (P) over the different root traits and how those traits are related to increasing the efficiency of nutrient acquisition strategies. Methods Investigation of switchgrass (Panicum virgatum L.) root morphology responses to inorganic P (Pi) soluble (Potassium-P), insoluble (Aluminum-P), and organic P (Po) (Inositol Hexa-Phosphate, IHex-P) in rhizoboxes. Roots were traced over the root box and scanned using WinRhizoTM. The CRootbox model was employed to simulate root growth. Results Significant plasticity observed under IHex-P treatment, with a 46% increase in root branching, leading to a 74% rise in total root length and a 65% increase in root surface area compared to inorganic P forms. IHex-P resulted in a 73% higher root biomass than Aluminum-P and a 26% increase compared to Potassium-P. Most of the differences were attributed to the elongation of root branches. Conclusions Here, the study emphasizes the dynamic nature of switchgrass root architecture and morphology in response to varying P forms in the soil. The absence of Pi in the soil triggered increased plasticity in root traits, facilitating root access to Po and uptake of P. These findings offer valuable insights into the adaptive mechanisms of perennial plants, with significant implications for optimizing nutrient acquisition strategies in both agricultural and natural ecosystems.

Organic phosphorus↗

Formation of Organic Acids and Carbonyl Compounds in n ‐Butane Oxidation via γ‐Ketohydroperoxide Decomposition

Abstract A crucial chain‐branching step in autoignition is the decomposition of ketohydroperoxides (KHP) to form an oxy radical and OH. Other pathways compete with chain‐branching, such as “Korcek” dissociation of γ‐KHP to a carbonyl and an acid. Here we characterize the formation of a γ‐KHP and its decomposition to formic acid+acetone products from observations of n ‐butane oxidation in two complementary experiments. In jet‐stirred reactor measurements, KHP is observed above 590 K. The KHP concentration decreases with increasing temperature, whereas formic acid and acetone products increase. Observation of characteristic isotopologs acetone‐ d 3 and formic acid‐ d 0 in the oxidation of CH 3 CD 2 CD 2 CH 3 is consistent with a Korcek mechanism. In laser‐initiated oxidation experiments of n ‐butane, formic acid and acetone are produced on the timescale of KHP removal. Modelling the time‐resolved production of formic acid provides an estimated upper limit of 2 s −1 for the rate coefficient of KHP decomposition to formic acid+acetone.

Popolan‐Vaida, Denisia M.↗

Search for an excited lepton that decays via a contact interaction to a lepton and two jets in proton-proton collisions at $\sqrt{s} =$ 13 TeV

Results are presented from a search for events containing an excited lepton (electron or muon) produced in association with an ordinary lepton of the same flavor and decaying to a lepton and two hadronic jets. Both the production and the decay of the excited leptons are assumed to occur via a contact interaction with a characteristic energy scale Λ. The branching fraction for the decay mode under study increases with the mass of the excited lepton and is the most sensitive channel for very heavy excited leptons. The analysis uses a sample of proton-proton collisions collected by the CMS experiment at the LHC at $ \sqrt{s} $ = 13 TeV, corresponding to an integrated luminosity of 77.4 fb$^{−1}$. The four-body invariant mass of the two lepton plus two jet system is used as the primary discriminating variable. No significant excess of events beyond the expectation for standard model processes is observed. Assuming that Λ is equal to the mass of the excited leptons, excited electrons and muons with masses below 5.6 and 5.7 TeV, respectively, are excluded at 95% confidence level. These are the best limits to date.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Cool, Evolved Stars: Results, Challenges, and Promises for the Next Decade

Cool, evolved stars are the main source of chemical enrichment of the interstellar medium (ISM), and understanding their mass loss and structure offers a unique opportunity to study the cycle of matter in the Universe. Pulsation, convection, and other dynamic processes in cool evolved stars create an atmosphere where molecules and dust can form, including those necessary to the formation of life (e.g. Carbon-bearing molecules). Understanding the structure and composition of these stars is thus vital to several aspects of stellar astrophysics, ranging from ISM studies to modeling young galaxies and to exoplanet research. Recent modeling efforts and increasingly precise observations now reveal that our understanding of cool stars photospheric, chromospheric, and atmospheric structures is limited by inadequate knowledge of the dynamic and chemical processes at work. Here we outline promising scientific opportunities for the next decade that can provide essential constraints on stellar photospheres, chromospheres, and circumstellar envelopes (CSE), and tie together analyses of the spectra and interferometric and imaging observations of evolved stars. We identify and discuss the following main opportunities: (1) identify and model the physical processes that must be included in current 1D and 3D atmosphere models of cool, evolved stars; (2) refine our understanding of photospheric, chromospheric, and outer atmospheric regions of cool evolved stars, their properties and parameters, through high-resolution spectroscopic observations, and interferometric observations at high angular resolution; (3) include the neglected role of chromospheric activity in the mass loss process of red giant branch (RGB) and red super giant (RSG) stars and understand the role played by their magnetic fields; (4) identify the important shaping mechanisms for planetary nebulae (PNe) and their relation with the parent Asymptotic Giant Branch (AGB) stars.

Gioia Rau↗

Supporting Risk-informed Decision-making During Reactor Accidents

Uncertainty in severe accident evolution and outcome is driven by event bifurcations that represent distinctive challenges to defensive layers and tend to promote the emergence of discrete classes of core damage and accident risk. This discrete set of "attractor" states arise from the complex networks of competing physical phenomena and conditional event cascades occurring as the overall system degrades – a process that yields increasing degrees of freedom and accident progression pathways. Characterization of these event spaces has proven elusive to more traditional data interrogation methods, but proves tractable by application of more advanced data collection and machine learning approaches. Through application of these approaches we demonstrate a conceptual framework that enables real-time/robust, risk-informed decision-making support to improve accident mitigation and encourage “graceful exits” during low probability, extreme events limiting accident consequences. In this analysis, we simulated over 8,000 short-term station blackout (STSBO) accidents with the state-of-the-art integral severe accident code, MELCOR, and demonstrate the potential for ML approaches to predict simulation outcomes. We chose to pair ML tools with interpretable and mechanistic event trees for the considered STSBO accident space to predict the likelihood of future event paths along the tree. In addition to the current state of the system, we use information from recent trajectories of temperature, pressure, and other physical features, combining both the current state and past trajectories to forecast future event paths. Finally, we simulate the random injection of variable amounts of water to quantify the efficacy of available actions at reducing risks along the many branches in the event tree. We identify scenarios and windows of opportunity to mitigate risk as well as scenarios in which such actions are unlikely to alter the accident end-state.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The Exploration of Local VolumE Satellites (ELVES) Survey: A Nearly Volume-limited Sample of Nearby Dwarf Satellite Systems

We present the final sample of the Exploration of Local VolumE Satellites (ELVES) survey, a survey of the dwarf satellites of a nearly volume-limited sample of Milky Way (MW)-like hosts in the Local Volume. Hosts are selected simply via a cut in luminosity (${M}_{{K}_{s}}\lt -22.1$ mag) and distance (D < 12 Mpc). We cataloged the satellites of 25 of the 31 such hosts, with another five taken from the literature. All hosts are surveyed out to at least 150 projected kpc ( ~ R vir /2), with the majority surveyed to 300 kpc ( ~ R vir ). Satellites are detected using a consistent semiautomated algorithm specialized for low surface brightness dwarfs. As shown through extensive tests with injected galaxies, the catalogs are complete to M V ~ -9 mag and μ 0,V ~ 26.5 mag arcsec -2 . Candidates are confirmed to be real satellites through distance measurements including redshift, tip of the red giant branch, and surface brightness fluctuations. Across all 30 surveyed hosts, there are 338 confirmed satellites with M V < -9 mag, with a further 106 candidates awaiting distance measurement. For the vast majority of these, we provide consistent multiband Sérsic photometry. We show that satellite abundance correlates with host mass, with the MW being quite typical among comparable systems, and that satellite quenched fraction rises steeply with decreasing satellite mass, mirroring the quenched fraction for the MW and M31. The ELVES survey represents a massive increase in the statistics of surveyed systems with known completeness, and the provided catalogs are a unique data set to explore various aspects of small-scale structure and dwarf galaxy evolution.

79 ASTRONOMY AND ASTROPHYSICS↗

Burning velocities of R-32/O 2 /N 2 mixtures: Experimental measurements and development of a validated detailed chemical kinetic model

This work entails characterizing the flammability of the refrigerant R-32 (CH 2 F 2 ) by both experimental measurements and modeling. Burning velocities S u were measured using a constant-volume spherical-flame method for R-32/O2/N 2 mixtures with O 2 /N 2 ratios ranging from 21% (synthetic air) to 40%, pressures of (1 to 3) bar, and equivalence ratios $\phi$ of (0.8 to 1.3). Based on a critical assessment of available data, and extended by our own calculations, a detailed chemical kinetic model was developed and key reactions determined using reaction path and sensitivity analyses. Initiation and combustion were identified as distinct kinetic regimes and burning velocities were found to be controlled by two primary reactions: unimolecular decomposition of CH 2 F 2 → CHF + HF and the subsequent reaction, CHF + O 2 → CHFO + O, the latter reaction initiating the radical chain propagating and branching by producing O atoms. Sensitive rate constants in the kinetic model were critically adjusted within their uncertainties and current knowledge bounds to best fit the experimental burning velocities. We found that rate constants in the model could be adjusted to match a given experimental S u for specific conditions (O 2 loading, P, T, $\phi$). This, however, then fixes predicted burning velocities for other all conditions within (3 to 4)% if physically realistic rate parameters are maintained. Thus, the entire set of experimental data is fit, not just to particular conditions. Relative random uncertainties in the experimental Su measurements were (4 to 6)%, but assumptions made for thermal radiation lost by the burned gas in the spherical-flame experiments add an additional systematic uncertainty. Systematic differences between the limiting cases of adiabatic (no thermal radiation lost) and optically-thin (all thermal radiation lost) varied significantly with conditions and ranged from (4 to 30)% at high to low velocities, respectively, translating into uncertainties of (2 to 15)% considering the average of two limiting cases. Comparison of experimental and kinetically modeled Su values suggests that the burned gas tends towards the optically-thin limit at the lowest pressures and fuel loadings and toward the adiabatic limit at the highest pressures and loadings. We tested and found support for this conclusion with a detailed analysis as a function of all the conditions (T, P, % O 2 , $\phi$). This behavior appears to transition from optically-thin to adiabatic as the density of the initial fuel increases, which results in increased CO 2 in the burned gas and thus increased absorption of the thermal radiation (consistent with the Beer-Lambert Law). The validated detailed model based on evaluated kinetics is shown to accurately predict burning velocities for R-32 O 2 /N 2 mixtures over a wide range of conditions and provides a reliable basis for extrapolation to other conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tailoring Corrosion Resistance of Additively Manufactured Metals with Atomic Layer Deposition

The goal of this work is to develop a scalable post-manufacturing capability at LANL that utilizes atomic layer deposition (ALD) for corrosion-resistant coatings onto additively manufactured (AM) metals. This will provide fundamentally new and essential capabilities towards the interchangeability of AM metals with traditionally wrought or machined material. This will be accomplished by (1) formulating novel ALD precursor doses and film thicknesses onto as-printed coupons of AM metals and (2) providing electrochemical characterization of corrosion susceptibility as a function of deposited film thickness. While ALD is well-established, the unique aspect (risk) of this work is application to rough AM surfaces. This risk is mitigated by repeating ALD deposition cycles, where thicker coatings laterally branch, resulting in a uniform coating. This risk will be assessed in the phase 1 feasibility study, wherein the application of ALD coatings to small AM coupon surfaces will be demonstrated using existing hardware and characterization tools at Sigma. This study alone will provide ground-breaking insight on the compatibility of ALD coating techniques with AM metals. Going beyond the phase 1 study, a standalone deposition chamber will be built, so full AM components can be coated and tested. While this MFR investment is focused on corrosion mitigation, it is critical to highlight external benefits of this technique outside the scope of this proposed study. ALD has extraordinary universality, whereby almost any material can be given almost any coating or graded density coating with atomic precision; and, the only limiting factors to scalability is the size of the dosing chamber. The self-limiting reactions intrinsic to ALD offers high conformity to part geometry and tolerance, even for internal surfaces where electroplating or conventional chemical vapor deposition falls short due to differential diffusion. This uniquely positions ALD at the forefront of post-manufacturing strategies for AM components, especially for those with complex geometry and internal surfaces.

36 MATERIALS SCIENCE↗

Aerothermal Analysis of the Rocket Lab Venus Probe Heatshield

This document provides an overview of the aerothermodynamic analyses performed by the Aerothermodynamics Branch at NASA Langley Research Center for the Rocket Lab Venus Probe (RLVP). In addition to defining the baseline heating environment to the heatshield, this document pursues the experimental validation of key physical models at RLVP-relevant conditions. This experimental validation analysis, which captures the model form uncertainty, is used as one of two primary components of the margin assessment, where the other component is the parametric uncertainty. These model form (experimental) and parametric uncertainty components are used to construct a spatial and time varying margin for the heating to the RLVP heatshield. The margin is evaluated as the sum of the parametric and model form uncertainty components. The model form uncertainty is defined as the difference between the RLVP-relevant measurements and their simulations, using the upper limit uncertainty bounds for both the measurements and simulations in the comparisons. The differences in the dominant physics in the stagnation region and flank lead to the separate RLVP-relevant measurements for assessing the model form uncertainty in these two regions. These regions are addressed as follows: Stagnation Region Heating Environment: For the high-temperature stagnation-region, both the radiative heating and impact of blowing on convective heating are significant, while the impacts of turbulence and roughness are negligible. Coupled radiation and ablation LAURA/HARA solutions with ray-tracing provide the radiative heating over the entire vehicle, including the contributions from the Venus atmosphere and ablation species. Non-ablating LAURA simulations provide the convective heating. During the material-response computation typically used for TPS sizing, this non-ablating convective heating is corrected for the impact of ablation using the blowing correction. Coupled ablation LAURA simulations that capture finite-rate sur-face processes show that this blowing correction may be non-conservative over most of the heatshield. This non-conservatism is due to hydrogen recombination in the finite-rate surface model, which tends to increase the coupled ablation convective heating to near the non-ablating values, therefore making any reduction in the non-ablating value through the blowing correction non-conservative. This non-conservatism due to H catalysis is captured in the parametric component of the margin. The best available ground-test measurements that capture the impact of blowing on stagnation region convective heating, at RLVP-relevant conditions, indicate that the current blowing reduction model is non-conservative by up to 20% at RLVP-relevant blowing rates (the coupled blowing simulations were also non-conservative). Because of the relatively low velocity of the ground tests and the non-Venus atmospheric chemistry, these measurements do not capture the chemistry and therefore do not inform the uncertainty due to H catalysis. However, they do capture the fluid mechanics of blowing. The non-conservatism of the blowing correction implied by these measurements is covered by the model form component of the margin, which leads to total margin values over 50%. For the radiative heating, the shock-tube informed bias approach suggests a model form uncertainty of roughly 20%, while the parametric uncertainty analysis suggests values over 100%. The combined stagnation-point radiation margin of over 100% leads to peak margined radiative heating values of over300 W/cm2, which remains small relative to the peak margined convective heating of nearly 2000 W/cm2. Based on this analysis, at the stagnation point, the peak margined heat rate is 2203 W/cm2 and the margined total heat load is 31.5 kJ/cm2 for the current nominal trajectory. Flank Heating Environment: The forebody flank (and near-shoulder) heating environment is dominated by the impact of turbulence, roughness augmentation, and ablation on the convective heating. An extensive collection of ground test measurements with RLVP-relevant turbulence and roughness is studied to show that the maximum difference between the simulated and measured convective heating is 5%. However, with the exception of the Holden measurements from the 1980s, these measurements do not include roughness elements extending into the supersonic region of the boundary layer, which is likely to occur for RLVP (due to the 45 degree sphere-cone geometry). The interaction between the supersonic flow and roughness could cause convective heating augmentation fundamentally different than for locally subsonic flow. Although these Holden measurements are consistent with the other measurements considered, another path was pursued to assure that the rough-ness height extending into supersonic flow does not fundamentally change the roughness augmentation. This additional path was a computational effort to resolve the roughness elements in the CFD grid, so that the interaction be-tween the roughness elements and locally supersonic flow may be simulated in detail. This roughness-resolved CFD simulation is feasible because of the RLVP forebody TPS’s patterned roughness, which may be approximated analytically, and because of the axisymmetric nominal flow field, which allows a narrow surface region to be simulated and therefore make the computational expense feasible. These grid-resolved roughness simulations, which are performed at actual RLVP flight conditions, result in heating augmentation values that are below the design approach for roughness augmentation. This provides evidence that the design approach for RLVP roughness augmentation is sufficient. Based on this analysis, at this flank or near-shoulder location, the peak margined total heat rate is 2088 W/cm2and the margined total heat load is 26.0 kJ/cm2for the current nominal trajectory. Heat flux, shear, pressure and heat transfer coefficient at the RLVP stagnation point and near shoulder location are evaluated for the entire trajectory, and curved fit to a functional form of F=AρB∞UC∞. These simplified relationships for the nominal and margined aerothermal environments are referred to as aerothermal indicators, and presented at the end of this document.

Christopher O Johnston↗