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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Quality concerns caused by quality control — deformation of silicon strip detector modules in thermal cycling tests

The ATLAS experiment at the Large Hadron Collider (LHC) is currently preparing to replace its present Inner Detector (ID) with the upgraded, all-silicon Inner Tracker (ITk) for its High-Luminosity upgrade (HL-LHC). The ITk will consist of a central pixel tracker and the outer strip tracker, consisting of about 19,000 strip detector modules. Each strip module is assembled from up to two sensors, and up to five flexes (depending on its geometry) in a series of gluing, wirebonding and quality control steps. During detector operation, modules will be cooled down to temperatures of about -35 °C (corresponding to the temperature of the support structures on which they will be mounted) after being initially assembled and stored at room temperature. In order to ensure compatibility with the detector's operating temperature range, modules are subjected to thermal cycling as part of their quality control process. Ten cycles between -35 °C and +40 °C are performed for each module, with full electrical characterisation tests at each high and low temperature point. As part of an investigation into the stress experienced by modules during cooling, it was observed that modules generally showed a change in module shape before and after thermal cycling. This paper presents a summary of the discovery and understanding of the observed changes, connecting them with excess module stress, as well as the resulting modifications to the module thermal cycling procedure.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Coal-based Bricks & Blocks (CBBs): Process Development to Prototype Fabrication Coupled with Techno-Economic Analysis and Market Survey

The decline of coal use for energy production provides an abundance of local feedstock for new innovative uses and value-added products. Expanding the U.S. coal-value chain to manufacture high-value carbon products can strengthen the nation’s energy and mineral security, enhance the U.S. national defense security, increase the United States’ economic prosperity, while achieving U.S. environmental objectives. The primary project goal is a relatively light-weight composite product with superior (or comparable) compressive strength. Both virgin and, where available, post-consumer recycled thermoplastic versions are tested for each thermoplastic species. A useful attribute of thermoplastics as binders is that they can be heated to their melting point, cooled, and reheated again without significant degradation. A key advantage of thermoset CBBs is that they require only mixing and molding. CBB advantages include low cost, availability, binding ability and processability. Coal-based bricks and blocks (CBBs) weigh about 50% less than clay bricks and can be manufactured with an interlocking design to promote ease of use for the novice builder. CBB formulation is evaluated according to a design-of-experiments (DoE) approach. DoE variables are a) relative weight fractions of binder, b) relative proportions of large versus small (milled) anthracite size fractions, and c) additive percentage. Fabrication methods include hot-press molding and extrusion, the later being the most commercially viable. CBBs are tested for compressive strength, modulus of rupture (by flexure test) and water absorption per ASTM C67, with density determined by the Archimedes drainage method. Fractured interfaces are examined by SEM (Scanning Electron Microscopy) to resolve fracture dynamics and interior microstructure uniformity. Differential scanning calorimetry (DSC) is used to compare plastic transition temperatures i.e., glass and melting temperatures to contrast virgin with post-consumer recycled thermoplastics and optimize their usage. These results are used in the DoE analysis to identify the binder and relative weight percentages for optimum strength, density, and porosity. Overall, CBBs possess strength comparable to clay-based bricks but are non-permeable and hydrophobic, and hence resistant to degradation by freeze-fracturing, corrosion, and efflorescence. The strongest composites have been made with the following thermoplastic binders (in order of strength): thermoset, high-density polyethylene crosslink resin, high-density polyethylene, nylon 6/6, and polypropylene. Results from a techno-economic analysis TEA show economy of scale for CBBs by modularization and reveal the binder as the cost driver for material costs. Ideally, the incorporation of post-consumer recycled thermoplastic will decrease material acquisition costs and increase product sustainability. Notably, CBBs do not require the high temperature calcination needed to produce cement, nor do they require firing in the 1600-2400 °F range for three days using natural gas, as do clay brick equivalents. Instead, CBBs are heated to a modest <600 °F according to the melt flow index of the thermoplastic binder. Existing anthracite mines can be expanded to produce CBBs to reduce aggregate transportation costs and emissions that exist for clay bricks. TEA reflects this reduced energy cost while a comparative CO2 emission analysis quantifies the reduced environmental footprint. The market survey identifies several commercialization opportunities, dependent upon the brick classification.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Hybrid Ceramic-CMC Vane with EBC for Future Coal Derived Syngas Fired 65% Efficient Turbine Combined Cycle

The efficiency of both simple cycle and combined cycle power generation systems scale with the peak temperature at which the gas exits the combustor to drive the turbine. In conventional systems, a substantial fraction of the total turbine core flow exiting the compressor is diverted downstream to cool metallic turbine hardware rather than power the turbine, much of which is used to cool the first-stage turbine vane. The use of coal derived syngas fuels provides an additional challenge to the lifetime of materials utilized in the turbine, as particulate byproducts created in the coal gasification process melt in the combustion gas, and can subsequently deposit and interact with the turbine hardware. The development of durable hot-section materials capable of operating at temperature well above that of single crystal superalloy airfoil/zirconia based thermal barrier coatings is critical to realizing 65% efficient coal derived syngas fired gas turbine based power systems. To enable higher turbine inlet temperatures while lowering cooling air requirements, United Technologies Research Center (UTRC), the central R&D laboratory supporting UT Pratt & Whitney, led the conceptual design of a new type of ceramic composite turbine hot section materials system. The design focused on a novel hybrid monolithic ceramic-fiber reinforced ceramic matrix composite (CMC) first stage turbine vane having an environmental barrier coating. By utilizing ceramic construction in the turbine hot-section, the core flow normally used to cool metallic components will be substantially reduced, increasing efficiency and reducing emissions. To provide the framework for future demonstration testing, UTRC partnered with University of North Dakota Energy and Environmental Research Center (UNDEERC) to provide a conceptual design for a gasified coal fed high-pressure turbine combustor system designed to mimic the conditions expected in a future 65% fuel to busbar efficient syngas fueled gas turbine based combined cycle. The UNDEERC and UTRC collaborated on characterizing dusts from coal gasifier filtration systems.

10 SYNTHETIC FUELS↗
DOE OSTI2020

Impact of ocean model resolution on understanding the delayed warming of the Southern Ocean

Abstract Currently available historical climate change simulations indicate a relatively delayed Southern Ocean warming, particularly poleward of the Antarctic Circumpolar Current (ACC) compared much of the rest of the globe. However, even this simulated delayed warming is inconsistent with observational estimates which show a cooling trend poleward of the ACC for the period 1979–2014. A fully coupled model run at two resolutions, i.e. ocean eddy parameterized and ocean eddy resolving, driven by historical and fixed CO2 concentration is used to investigate forced trends south of the ACC. We analyze the 1961–2005 Southern Ocean surface and upper ocean temperatures trends simulated by the model and observational estimates to understand the observed trends in the SO. At both resolutions, the models successfully reproduce the observed warming response for the northern flank of the ACC. The eddy resolving simulations, however, are able to reproduce the observed near Antarctic cooling in contrast to the eddy parameterized simulation which shows a warming trend. The cause of this inconsistency between the observations and the ocean eddy parameterized climate models is still a matter of debate, and we show here results that suggest resolved ocean meso-scale processes may be an integral part of capturing the observed trends in the Southern Ocean.

Environmental Sciences & Ecology↗
DOE OSTI2024

Microgravity effects on nonequilibrium melt processing of neodymium titanate: thermophysical properties, atomic structure, glass formation and crystallization

The relationships between materials processing and structure can vary between terrestrial and reduced gravity environments. As one case study, we compare the nonequilibrium melt processing of a rare-earth titanate, nominally 83TiO 2 -17Nd 2 O 3 , and the structure of its glassy and crystalline products. Density and thermal expansion for the liquid, supercooled liquid, and glass are measured over 300–1850 °C using the Electrostatic Levitation Furnace (ELF) in microgravity, and two replicate density measurements were reproducible to within 0.4%. Cooling rates in ELF are 40–110 °C s -1 lower than those in a terrestrial aerodynamic levitator due to the absence of forced convection. X-ray/neutron total scattering and Raman spectroscopy indicate that glasses processed on Earth and in microgravity exhibit similar atomic structures, with only subtle differences that are consistent with compositional variations of ~2 mol. % Nd 2 O 3 . The glass atomic network contains a mixture of corner- and edge-sharing Ti-O polyhedra, and the fraction of edge-sharing arrangements decreases with increasing Nd 2 O 3 content. X-ray tomography and electron microscopy of crystalline products reveal substantial differences in microstructure, grain size, and crystalline phases, which arise from differences in the melt processes.

36 MATERIALS SCIENCE↗
DOE OSTI2025

CLEAP Project: OR-SAGE Analysis for MT, UT, and CO States

The OR-SAGE tool is designed to use industry-accepted practices in screening sites and then employ the proper array of data sources through the considerable computational capabilities of GIS technology available at ORNL. The tool was developed to screen the potential for NPP siting on a national and regional basis. However, because of the tool granularity, it is often focused specifically on the immediate area around user sites of interest. If data center siting parameters can be added to OR-SAGE, the ability to evaluate data center siting on a localized scale will be beneficial.1 More than 60 data sets have been collected and processed by ORNL to develop exclusionary, avoidance, and suitability criteria for screening sites for a variety of power generation types, including nuclear power plants. Available site evaluation parameters include population density, slope, seismic activity, proximity to cooling-water sources, proximity to hazard facilities, avoidance of protected lands and floodplains, susceptibility to landslide hazards, and many others. All siting parameters should be considered as flags to inform siting decisions and should not be used to rule in or rule out any NPP site. Once data center siting parameters are identified, appropriate data sets will be collected and processed. The OR-SAGE process is very versatile. Essentially, OR-SAGE is a visual, relational database. The database partitions the contiguous United States, a total of 720 million hectares (~1.8 billion acres), into 100-m by 100-m (1 hectare or ~2.5 acre) cells. The database is tracking just under 700 million individual land cells. Successive suitability criterion is applied to each cell in the database. User-specified thresholds can be applied to each siting parameter data layer. In this manner, a variety of scenarios can be quickly and thoroughly evaluated. Data can be added and/or revised within OR-SAGE to address user interests. Siting security assessment capability is currently being added to OR-SAGE. Security is expected to be of concern at data centers whether it is collocated with a nuclear power generating technology or not. If data center is collocated with a nuclear power generating source, the security threat attractiveness level of both will likely increase. It will be of additional benefit if a potential data center site is also assessed for security vulnerability.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

The AGORA High-resolution Galaxy Simulations Comparison Project. III. Cosmological Zoom-in Simulation of a Milky Way–mass Halo

In this work, we present a suite of high-resolution cosmological zoom-in simulations to z = 4 of a 10 12 M⊙ halo at z = 0, obtained using seven contemporary astrophysical simulation codes (Art-I, Enzo, Ramses, Changa, Gadget-3, Gear, and Gizmo) widely used in the numerical galaxy formation community. The physics prescriptions for gas cooling and heating and star formation are the same as the ones used in our previous Assembling Galaxies of Resolved Anatomy (AGORA) disk comparison but now account for the effects of cosmological processes such as the expansion of the universe, intergalactic gas inflow, and the cosmic ultraviolet background radiation emitted by massive stars and quasars. In this work, we introduce the most careful comparison yet of galaxy formation simulations run by different code groups, together with a series of four calibration steps each of which is designed to reduce the number of tunable simulation parameters adopted in the final run. In the first two steps, we methodically calibrate the gas physics, such as cooling and heating, in simulations without star formation. In the third step, we seek agreement on the total stellar mass produced with the common star formation prescription used in the AGORA disk comparison, in stellar-feedback-free simulations. In the last calibration step, we activate stellar feedback, where each code group is asked to set the feedback prescription to as close to the most widely used one in its code community as possible, while aiming for convergence in the stellar mass at z = 4 to the values predicted by semiempirical models. After all the participating code groups successfully complete the calibration steps, we achieve a suite of cosmological simulations with similar mass assembly histories down to z = 4. With numerical accuracy that resolves the internal structure of a target halo (≲100 physical pc at z = 4), we find that the codes overall agree well with one another, e.g., in gas and stellar properties, but also show differences, e.g., in circumgalactic medium (CGM) properties. We argue that, if adequately tested in accordance with our proposed calibration steps and common parameters, high-resolution cosmological zoom-in simulations can have robust and reproducible results. New code groups are invited to join and enrich this comparison by generating equivalent models or to test the code's compatibility on their own, by adopting the common initial conditions, the common easy-to-implement physics package, and the proposed calibration steps. Further analyses of the zoom-in simulations presented here will be presented in forthcoming reports from the AGORA Collaboration, including studies of the CGM, simulations by additional codes, and results at lower redshift.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Modelling pulsed field magnetization of iron-based bulk superconductors

Abstract Bulk superconductors can be used as super-strength quasi-permanent magnets capable of providing magnetic flux densities considerably superior to conventional permanent magnets. This makes them attractive for several engineering applications that rely on strong magnetic fields like rotating machines, NMR/MRI and magnetic drug delivery systems. Recently, the authors reported a record trapped magnetic field in an iron-based bulk superconductor: 2.83 T was trapped in potassium-doped barium iron arsenide (Ba, K)Fe 2 As 2 (or Ba122) at 5 K. Of particular significance is that the strength and temporal stability of this magnetic field exceeds the requirements of MRI machines, indicating iron-based bulks can now perform at levels demanded by engineering applications. One crucial challenge for their practical use, however, is the need to apply and remove an external magnetic field to magnetize them. Pulsed field magnetization (PFM) shows great promise as a practical method of magnetizing bulks, but the process generates heat in the bulk that is detrimental to its superconducting performance and ability to act as a super-strength magnet. In this paper, coupled electromagnetic–thermal numerical models are used to simulate the PFM of iron-based bulk superconductors. Here we focus on the recent-record-breaking, fine-grain polycrystalline K-doped Ba122 bulks. The impact that the specific J c ( B ) characteristics and thermal properties of the Ba122 material—all of which have been experimentally measured from state-of-the-art samples—have on the magnetic flux dynamics and thermal behaviour during PFM, including the final trapped field, is investigated. We show that because the thermal properties are similar to those of REBa 2 Cu 3 O 7 −δ bulks, a similar response to pulsed fields is obtained. A maximum trapped field of ∼0.81 T (∼43.3% of the maximum trapped field capability under ideal, field-cooling conditions) was simulated at 5 K, with a magnetization efficiency of ∼54%. The modelling framework provides a fast and flexible tool for optimising the practical PFM process at different operating temperatures to maximise the trapped field in state-of-the-art Ba122 bulks and to guide the design of future experiments.

bulk superconductors↗
DOE OSTI2023

Microscale drivers and mechanisms of fracture in post-processed additively manufactured Ti–6Al– 4 V

Herein, we focus on understanding the microstructure-fracture correlations in a Ti–6Al– 4 V alloy additively manufactured via electron beam melting (EBM) and subjected to various post-process heat-treatments. Specifically, the as fabricated material is subjected to a sub-transus heat-treatment followed by air-cooling and a super-transus heat-treatment followed by either air- or furnace-cooling. Next, a series of in-situ single edge notch tension (SENT) tests are carried out under a high-resolution digital optical microscope. The panoramic high-resolution images captured during the in-situ tests are then used to characterize the planar deformation on the specimen surface using microstructure-based digital image correlation (DIC). Additionally, the results of the in-situ SENT tests together with DIC and post-mortem fractographic analyses provided us with a better understanding of the microstructure-fracture correlations in these materials. Our results show that the fracture mechanism of the as fabricated and sub-transus heat-treated materials is essentially the same, while the changes in the microstructure following the super-transus heat-treatments significantly affects the fracture mechanism. In this case, several microcracks of hundreds of microns in length first nucleate away from the deformed notch following extreme plastic deformation at discrete locations. Furthermore, the location of these microcracks in the super-transus heat-treated materials is extremely sensitive to the details of the underlying microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Understanding and Controlling Photothermal Responses in MXenes

MXenes have the potential for efficient light-to-heat conversion in photothermal applications. To effectively utilize MXenes in such applications, it is important to understand the underlying nonequilibrium processes, including electron–phonon and phonon–phonon couplings. Here, we use transient electron and X-ray diffraction to investigate the heating and cooling of photoexcited MXenes at femtosecond to nanosecond time scales. Our results show extremely strong electron–phonon coupling in Ti 3 C 2 -based MXenes, resulting in lattice heating within a few hundred femtoseconds. We also systematically study heat dissipation in MXenes with varying film thicknesses, chemical surface terminations, flake sizes, and annealing conditions. We find that the thermal boundary conductance (TBC) governs the thermal relaxation in films thinner than the optical penetration depth. In conclusion, we achieve a 2-fold enhancement of the TBC, reaching 20 MW m –2 K –1 , by controlling the flake size or chemical surface termination, which is promising for engineering heat dissipation in photothermal and thermoelectric applications of the MXenes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Soliton formation and topology manipulation of coupled spins via ultrafast re-magnetization

The major goal of the project was to explore the properties of magnetic order driven far out of equilibrium by optical excitations. These include fundamental questions related to the interplay of magnetic, structural and electronic degrees of freedom in materials that are optically excited. These problems break down in short term quenching of the magnetization as a results of the energy of the optical pulse studying how the energy of the optical pulse and the angular momentum of the magnetization flow between the different degrees of freedom. This is followed by the longer time re-emergence of the magnetism as the system cools. Within this goal we explored the formation of solitons, both with and without non-trivial topology, via rapid re-magnetization processes after optical-driven ultrafast demagnetization. Guided by theory, we predict that turbulence and modulational instabilities will drive the formation of solitons, including dispersive shock waves, magnon droplets, and skyrmions. In the case of topological defect formation, i.e. skyrmion generation, related processes have long been predicted based on general principles of symmetry-breaking phase transitions; the density of topological defects in a long-range-ordered phase can be controlled by varying the quench rate through the second-order phase transition, i.e. the Kibble-Zurek (KZ) mechanism. We, more broadly, had the goal to study a range of other emergent magnetic behaviors after optical excitation. While great attention has been given to ultrafast demagnetization, less is known of the subsequent spin dynamics and coupling to the lattice. What is increasingly appreciated is that ultrafast demagnetization leads to spin currents that can carry angular momentum from the rapidly demagnetized sample. These spin currents appear in many ways but fundamentally controls demagnetization, drives interactions between regions of the material, and control the spin resulting structure. They can be probed many ways including THz emission which, in turn, gives insight into the demagnetization processes. Simultaneously if there is magneto-elastic coupling ultrafast demagnetization can drive structural excitations that are not expected from thermal energy added to the lattice. We explored a range of complex phenomena that arise from photo-excitation of magnetic systems with the coupling of electronic, magnetic and structural degrees of freedom. We have made a number of fundamental discoveries that are reflected in our publications list with additional work still being prepared for publication. Highlights of this work include (i) ultra-efficient, nonlinear THz surface acoustics (ii) spin-current-mediated rapid magnon localization and coalescence, (iii) spin-wave soliton formation in ferromagnetic FePt nanoparticles, (iv) dynamic phonon coupling in elemental antiferromagnetic Cr, (v) THz emission from Co/Pt bilayers and FeRh/Pt bilayers, (vi) theoretical investigation of spin hydrodynamics, solitons and shock waves, and (vii) ultrafast perturbation of magnetic domains by optical pumping.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Potential applications of microbial genomics in nuclear non-proliferation

As nuclear technology evolves in response to increased demand for diversification and decarbonization of the energy sector, new and innovative approaches are needed to effectively identify and deter the proliferation of nuclear arms, while ensuring safe development of global nuclear energy resources. Preventing the use of nuclear material and technology for unsanctioned development of nuclear weapons has been a long-standing challenge for the International Atomic Energy Agency and signatories of the Treaty on the Non-Proliferation of Nuclear Weapons. Environmental swipe sampling has proven to be an effective technique for characterizing clandestine proliferation activities within and around known locations of nuclear facilities and sites. However, limited tools and techniques exist for detecting nuclear proliferation in unknown locations beyond the boundaries of declared nuclear fuel cycle facilities, representing a critical gap in non-proliferation safeguards. Microbiomes, defined as “characteristic communities of microorganisms” found in specific habitats with distinct physical and chemical properties, can provide valuable information about the conditions and activities occurring in the surrounding environment. Microorganisms are known to inhabit radionuclide-contaminated sites, spent nuclear fuel storage pools, and cooling systems of water-cooled nuclear reactors, where they can cause radionuclide migration and corrosion of critical structures. Microbial transformation of radionuclides is a well-established process that has been documented in numerous field and laboratory studies. These studies helped to identify key bacterial taxa and microbially-mediated processes that directly and indirectly control the transformation, mobility, and fate of radionuclides in the environment. Expanding on this work, other studies have used microbial genomics integrated with machine learning models to successfully monitor and predict the occurrence of heavy metals, radionuclides, and other process wastes in the environment, indicating the potential role of nuclear activities in shaping microbial community structure and function. Results of this previous body of work suggest fundamental geochemical-microbial interactions occurring at nuclear fuel cycle facilities could give rise to microbiomes that are characteristic of nuclear activities. These microbiomes could provide valuable information for monitoring nuclear fuel cycle facilities, planning environmental sampling campaigns, and developing biosensor technology for the detection of undisclosed fuel cycle activities and proliferation concerns.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Effect of Cooling Rate on Nano-Eutectic Formation in Laser Surface Remelted and Rare Earth Modified Hypereutectic Al-20Si Alloys

Laser Surface Remelting (LSR) was applied to arc-melted Al-20Si-0.2Sr, Al-20Si-0.2Ce, and Al-20Si hypereutectic alloys to refine microstructures. Experiments revealed that microstructures in the melt pool varied from fully eutectic to a mixture of Al dendrites and inter-dendritic eutectic. We calculated cooling rates using the Eagar-Tsai model and correlated cooling rates with characteristic microstructures, revealing that a cooling rate on the order of 104 K/s could lead to maximized fully eutectic microstructure morphology. Due to rapid solidification, the Si composition in the LSR eutectic was measured at 18.2 wt.%, higher than the equilibrium eutectic composition of 12.6 wt.%Si. Compared to Al-20Si, Ce addition had no significant effect on the volume fraction of the fully eutectic structure but refined Si fibers to approximately 30 nm in diameter. Sr addition did not further refine the diameter of eutectic Si fibers compared to Al-20Si but increased the volume fraction of the fully eutectic microstructure morphology. The refinement ratio (φ) of the Si fiber diameter from the bottom of the melt pool to the surface for the three alloys was similar, at around 28%. The established correlation between the cooling rate and the size and morphology of the microstructure within the melt pool will enable tailoring of the microstructure in laser-processed as well as deposited alloys for high strength and plasticity.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Melt-Pool Dynamics and Microstructure of Mg Alloy WE43 under Laser Powder Bed Fusion Additive Manufacturing Conditions

Magnesium-based alloy WE43 is a state-of-the-art bioresorbable metallic implant material. There is a need for implants with both complex geometries to match the mechanical properties of bone and refined microstructure for controlled resorption. Additive manufacturing (AM) using laser powder bed fusion (LPBF) presents a viable fabrication method for implant applications, as it offers near-net-shape geometrical control, allows for geometry customization based on an individual patient, and fast cooling rates to achieve a refined microstructure. In this study, the laser–alloy interaction is investigated over a range of LPBF-relevant processing conditions to reveal melt-pool dynamics, pore formation, and the microstructure of laser-melted WE43. In situ X-ray imaging reveals distinct laser-induced vapor depression morphology regimes, with minimal pore formation at laser-scan speeds greater than 500 mm/s. Optical and electron microscopy of cross-sectioned laser tracks reveal three distinct microstructural regimes that can be controlled by adjusting laser-scan parameters: columnar, dendritic, and banded microstructures. These regimes are consistent with those predicted by the analytic solidification theory for conduction-mode welding, but not for keyhole-mode tracks. The results provide insight into the fundamental laser–material interactions of the WE43 alloy under AM-processing conditions and are critical for the successful implementation of LPBF-produced WE43 parts in biomedical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Planetesimal Impact Vapor Plumes and Nebular Shocks Form Chondritic Mixtures

The origin of chondrules and the chondritic sedimentary rocks that dominate the meteoritic record is a long-standing problem in planetary science. Here, we develop a physical model for the formation of chondritic mixtures as an outcome of vaporizing collisions between planetesimals that were dynamically excited by the growth and migration of planets. We present calculations of nebular shock waves generated by impact vapor plumes and focus on aspects of the plume interaction with the nebular gas and dust that have been neglected in previous studies of impact ejecta. We find that when water dominates the vapor, the plumes are relatively cool. However, the plume expansion is supersonic and can drive strong shock waves in the dusty nebular gas. Portions of these nebular shock fronts initially melt nebular dust, forming chondrules that are coupled to the moving front. As the shock front expands and cools, the chondrules solidify, while the shock front entrains additional dust. Eventually, the plume expansion stalls and then hydrodynamically collapses, turbulently mixing variably processed dust and size-sorted chondrules. For probable impact parameters and nebular conditions during giant planet growth and migration, the impact-generated mixtures have characteristics that span the range observed in chondritic meteorites, providing an environment for rapid formation of chondritic assemblages after chondrule formation. Our impact vapor and nebular shocks model, named the IVANS model, links chondrule formation to the overall context of planet formation and provides a framework for interpreting the detailed chronological and geochemical record contained in chondritic meteorites.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

End-of-Century Changes in Orographic Precipitation with the Intermediate Complexity Atmospheric Research Model over the Western United States

Abstract Downscaled precipitation projections were created using the Intermediate Complexity Atmospheric Research (ICAR) model over the western United States to increase the physical realism in orographic precipitation changes. End-of-century simulations from eight models in phase 5 of the Coupled Model Intercomparison Project (CMIP5) were downscaled with ICAR and compared to the widely utilized statistically downscaled dataset, localized constructed analogs (LOCAs), to understand where and why projections of cool-season (September–May) precipitation differed. ICAR and LOCA precipitation projections were similar, but their sign differed in hydrologically relevant regions likely due to ICAR’s simulation of microphysics and mesoscale dynamics with high-resolution topography (6 km). In the Pacific Northwest, cool-season precipitation projections from ICAR showed an increase on the windward side of the Cascades and no significant change within the lee. This difference between the windward and leeward side was attributed to reduced zonal wind speeds, allowing more time for microphysical processes within ICAR. This contrast is enhanced by rain’s faster fall speed compared to snow, limiting transport into the lee. Meanwhile, LOCA projected an increase in precipitation across the Cascades. In the Upper Colorado River basin, LOCA projected an increase in precipitation in high elevation regions (>3000 m), but ICAR projected no significant change or a decrease in precipitation. High elevation differences were most evident in the spring and fall and were also attributed to a snow-to-rain transition and dynamical processes that impacted orographic enhancement within ICAR. Idealized, controlled studies are needed to better isolate individual processes, but these results underscore the importance of including microphysics and mesoscale dynamics within regional-scale precipitation projections. Significance Statement A set of global climate model simulations was downscaled using an atmospheric model that contains key physical equations, referred to as Intermediate Complexity Atmospheric Research (ICAR). ICAR was used to examine projected changes in end-of-century cool-season precipitation over mountains in the western United States. Precipitation projections from ICAR were similar to projections that used statistical relationships to downscale climate projections. However, projections differed between ICAR and statistically downscaled datasets in whether they increased, decreased, or stayed the same in specific, hydrologically relevant regions such as the eastern Cascades and high elevation areas of the Upper Colorado River basin. These differences were attributed to the simulation of physical processes in ICAR. The results highlight the importance of kilometer-scale atmospheric processes in regional climate projections.

Currier, William Ryan [NOAA/Physical Sciences Labo↗
DOE OSTI2024

Developing Benzodithiophene-Free donor polymer for 19.36% efficiency Green-Solvent-Processable organic solar cells

Here, in this work, a newly benzodithiophene-free D-A polymer donor, named PDTP-BDD, was developed for realizing green-solvent processed high-performance OSCs. By bridging two electron-rich unit of dithieno[3,2-b:2',3'-d]pyridin-5(4H)-one (DTP) and electron-deficient benzo[1,2-c:4,5c']dithiophene-4,8-dione (BDD) with thiophene units, PDTP-BDD possesses high absorption in the short wavelength range and a deep HOMO energy level. The rigid building blocks also make PDTP-BDD has strong aggregation and poor solubility in common halogen-free solvents (such as o-xylene) at room temperature, but it is readily dissolved and disaggregated at high temperature (120 °C). After cooling down to a lower temperature (60 °C), PDTP-BDD self-assembled and pre-aggregated slowly in the solution at a long time. By employing a delayed processing strategy in the layer-by-layer processed OSCs (LbL-OSCs), an optimized fibril network of the underling layer was realized, enabling the permeation of acceptor into the donor network. The optimized PDTP-BDD/L8-BO-based LbL-OSCs realized a high PCE of 18.42 %. By adding a small amount of D18 to further optimize the PDTP-BDD fibril network, an impressive PCE of 19.36 % was achieved finally in the resulting ternary LbL-OSCs, which is the highest value for OSCs processed by halogen-free solvents.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Aldehyde cool-flame chemistry explains a missing source of organic acids

Combustion emission is a significant source of organic acids, impacting atmospheric chemistry and climate. Their formation mechanisms, however, remain poorly understood, leading to underestimation in kinetic models. We investigate the cool-flame oxidation of key combustion intermediates—C 1 –C 4 aldehydes and benzaldehyde. Using in-situ synchrotron vacuum ultraviolet photoionization mass spectrometry, we observe the direct conversion of aldehydes to organic acids, a process enhanced by HO 2 radicals. Quantum chemistry calculations reveal that the reaction of RC(O)O 2 with HO 2 on the singlet potential energy surface contributes to organic acids. Incorporating this pathway into a kinetic model significantly improves organic acid prediction. Despite the high-temperature nature of engine combustion, significant spatial and temporal inhomogeneities (e.g., near-wall regions and crevice volumes) lead to localized cool-flame conditions, facilitating organic acid formation and emission. Elucidating the acid formation under cool-flame conditions provides a critical mechanism for accurately modelling anthropogenic organic acid emissions and developing mitigation strategies.

SVUV-PIMS↗