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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 OSTI2023

Quarknet Project: Simulating Double-Source Plane Lenses and Einstein Rings for Domain Adaptation

Double-Source Plane Lenses (DSPLs) are a form of strong gravitational lensing that can be used to uniquely constrain cosmological parameters like the dark energy equation of state. These objects are exceedingly rare: to date, only four have been discovered in astronomical surveys, like the Sloan Digital Sky Survey and the HyperSuprimeCam Survey. Additionally, the main features of these objects are typically co-located sets of arcs, which look like Einstein Rings of single-source galaxy-galaxy lenses. Larger astronomical surveys typically have low image resolution, which significantly exacerbates issues when trying to find DSPLs. Future surveys are likely to include many more of these objects and have higher image resolution. Traditional methods for finding strong lenses struggle to identify simple galaxy-galaxy lenses. Recently, neural networks have become the standard for lens identification, but these tools have not yet been used to search for DSPLs. In this work, we use the software deeplenstronomy to simulate varied images of DSPLs and Einstein Rings – with and without noise and artifacts of observational surveys, forming a comprehensive benchmark dataset of 40,000 images. We utilise this dataset to perform experiments with convolutional neural networks to discern between the two phenomena. Sofia Grimm and Jerry Zhou are co-first authors on this work.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2018

Behavior of Langmuir Probes in Non-Equilibrium Plasmas

Langmuir probes are diagnostic tools used to determine electron temperature, number density, and plasma potential. Irving Langmuir first used an electrostatic probe in the 1920s to find these characteristics in ionized gases. Single, double, and triple Langmuir probes are commonly used in plasma diagnostics because of their relative simplicity. In the single probe, a swept voltage is applied between the probe tip and circuit common to acquire a waveform showing the collected current as a function of applied voltage. A double Langmuir probe consists of two tips, both inserted into the plasma, with a voltage applied between them. As this voltage is swept, a current-voltage characteristic is measured. In a triple probe three probe tips are electrically coupled to each other with constant non-swept voltages applied between each of the tips. The voltages are selected to represent three points on the single Langmuir probe I-V curve. Elimination of the voltage sweep makes it possible to measure time-varying plasma properties in transient plasmas. Triple Langmuir probe measurements have been widely employed for various types of plasmas, including pulsed and time-varying plasmas such as those seen in pulsed plasma thrusters (PPTs), dense plasma focus devices, plasma flows, and fusion experiments. The typical Langmuir probe analysis for determining electron temperature and number density of the plasma (for a single, double, or triple Langmuir probe) includes an assumption that the plasma is in thermal equilibrium. While the this assumption may be justified for some applications, it is unlikely that it is fully justifiable for pulsed and time-varying plasmas or for the entire time a plasma device is in use. In the present work, we model the responses of Langmuir probes as they are inserted into a range of simple equilibrium and non-equilibrium plasmas. We return to basic governing equations of probe current collection and compute the current to the probes for a distribution function consisting of two Maxwellian distributions with different temperatures (the two-temperature Maxwellian). A variation of this method is also employed, where one of the Maxwellians is offset from zero (in velocity space) to add a suprathermal beam of electrons to the tail of the main Maxwellian distribution (the bump-on-the-tail distribution function). For a range of parameters in these non-Maxwellian distributions, we compute the current collection to the probes. Comparing the distribution function that was assumed a priori with the plasma density and temperature one would infer when applying standard probe theory to analyze the collected currents serves to illustrate the effect a non- Maxwellian plasma would have on results interpreted using the equilibrium probe current collection theory, allowing us to state the magnitudes of these deviations as a function of the assumed distribution function properties.

Polzin, Kurt A.↗
DOE OSTI2024

A High-Ceramic-Loading LATP–PVDF–Al 2 O 3 Composite Film for Lithium-Ion Batteries With Favorable Porous Microstructure and Enhanced Thermal Stability

A separator plays a crucial role in a Li-ion battery to carry liquid electrolytes while preventing short-circuiting between electrodes. Nevertheless, conventional commercial separators often exhibit poor wettability and are prone to shrink at elevated temperatures due to their limited thermal stability. Herein, we report a heat-resistant LATP–PVDF–Al 2 O 3 composite film with outstanding wetting performance. The thin film was prepared using ball mill mixing and tape-casting processes. Two solvents, NMP and glycerol, were applied to prepare the slurry, and a favorable microstructure in the film was created after drying. Here, the ionic conductivity of the film was tested at 1.39 mS cm –1 when paired with liquid electrolyte, almost double that of the commercial counterpart. The high ceramic loading of 70% improved both the thermal shrinkage resistance and dendrite inhibition of the membrane. When assembled in an NMC half-cell, the cycling capacity retentions of 92.8% and 92.1% are achieved after 50 cycles at 0.5 C and 1 C, demonstrating its capability to be used in Li-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

Oxidation Behavior and Property Degradation of Nuclear Graphites

During its multidecade operation in the core of nuclear reactors, graphite components are subjected to aggressive and continuous exposure to a high field of ionizing and neutron irradiation, high temperature, and various types of present and postulated chemical attacks. High density, high crystallinity polygranular synthetic graphite is unique among other materials for its extraordinary capacity of resisting and adapting to the aggression inflicted by high temperature, high energy neutron bombardment and ionizing gamma radiation. But, as a carbonaceous material, even though of very high purity, graphite is reactive towards common oxidizing agents: oxygen, carbon dioxide, water. Safe operation of HTGRs relies, among other aspects, on engineered safeguard systems for efficient and continuous protection of graphite components against oxidation. Graphite oxidation behavior was, and continues to be, an important direction of theoretical and experimental research, engineering analyses, models and simulations, and design and safety regulations. The avalanche of publications, reports, experimental data, computer codes, and regulatory documents related to oxidation behavior of nuclear graphite is now accelerating to new levels, prompted by the increased interest for nuclear energy as a clean, carbon-free energy source. Even though public’s perception of nuclear energy advantages may still be influenced by the memories of past accidents of nuclear reactors from generations II and III, the community of informed scientists and engineers, regulators and statemen knows that generation IV of nuclear reactors is designed at very high safety standards, doubled by great advances of scientific knowledge and technological progress. One of routes of these recent advances is directed at better understanding of graphite oxidation behavior, its relationship with graphite manufacturing and microstructural properties, along with the effects of various environmental factors and process variables. Together, the recent progress in manufacturing, properties characterization, and modeling of intricated physical and chemical processes that concur to the oxidation behavior led to development of powerful simulation codes able to analyze various scenarios of normal operation and hypothetical off-normal events, and thus to clearly specify the allowable parameters envelopes for the designers, constructors, and operators of current and future modular HTGRs. This review begins with an introduction on manufacturing methods, structure, and properties of nuclear graphite, including basic requirements that this specialty graphite type must satisfy for nuclear use. It continues with a chapter on environmental effects on nuclear graphite, where emphasis is placed less on irradiation and much more on oxidation phenomena, their safety implications, and the basic traits of chronic and acute oxidation by air (oxygen) and water (humidity, steam). Particular attention is placed on the three graphite grades of interest for this document (IG-110, NBG-18, PCEA). A chapter on properties degradation induced by oxidation follows, with focus on density, dimensional, and mechanical properties changes. The next chapter is intended as a brief review of various approaches used for modeling of graphite oxidation behavior. It summarizes the progress of oxidation models, from the early attempts to complex computational approaches interfaced with specialized computer codes designed for nuclear reactor simulations. Last, a list is presented of knowledge gaps where more research is needed. A short summary concludes the review.

36 MATERIALS SCIENCE↗
NASA NTRS2013

Efficient Creation of Overset Grid Hole Boundaries and Effects of Their Locations on Aerodynamic Loads

Recent developments on the automation of the X-rays approach to hole-cutting in over- set grids is further improved. A fast method to compute an auxiliary wall-distance function used in providing a rst estimate of the hole boundary location is introduced. Subsequent iterations lead to automatically-created hole boundaries with a spatially-variable o set from the minimum hole. For each hole boundary location, an averaged cell attribute measure over all fringe points is used to quantify the compatibility between the fringe points and their respective donor cells. The sensitivity of aerodynamic loads to di erent hole boundary locations and cell attribute compatibilities is investigated using four test cases: an isolated re-entry capsule, a two-rocket con guration, the AIAA 4th Drag Prediction Workshop Common Research Model (CRM), and the D8 \Double Bubble" subsonic aircraft. When best practices in hole boundary treatment are followed, only small variations in integrated loads and convergence rates are observed for different hole boundary locations.

Overset↗
NASA NTRS2012

Methods and Costs to Achieve Ultra Reliable Life Support

A published Mars mission is used to explore the methods and costs to achieve ultra reliable life support. The Mars mission and its recycling life support design are described. The life support systems were made triply redundant, implying that each individual system will have fairly good reliability. Ultra reliable life support is needed for Mars and other long, distant missions. Current systems apparently have insufficient reliability. The life cycle cost of the Mars life support system is estimated. Reliability can be increased by improving the intrinsic system reliability, adding spare parts, or by providing technically diverse redundant systems. The costs of these approaches are estimated. Adding spares is least costly but may be defeated by common cause failures. Using two technically diverse systems is effective but doubles the life cycle cost. Achieving ultra reliability is worth its high cost because the penalty for failure is very high.

deep space life support↗
NASA NTRS2003

Molecular Isotopic Characterization of the ALH 85013.50 Meteorite: Defining the Extraterrestrial Organic Compounds

The Antarctic Meteorite Program has returned over 16,000 meteorites from the ice sheets of the Antarctic. This more than doubles the number of preexisting meteorite collection and adds important and rare specimens to the assemblage. The CM carbonaceous chondrites are of particular interest because of their high organic component. The Antarctic carbonaceous chondrites provide a large, previously uninvestigated suite of meteorites. Of the 161 CM chondrites listed in the Catalogue of Meteorites 138 of them have been recovered from the Antarctic ice sheets,. However, these meteorites have typically been exposed to Earth s conditions for long periods of time. The extent of terrestrial organic contamination and weathering that has taken place on these carbonaceous chondrites is unknown. In the past, stable isotope analysis was used to identify bulk organics that were extraterrestrial in origin. Although useful, this method could not exclude the possibility of terrestrial contamination contributing to the isotopic measurement. Compound specific isotope analysis of organic meteorite material has provided the opportunity to discern the terrestrial contamination from extraterrestrial organic compounds on the molecular level.

Fuller, M.↗
NASA NTRSDate not supplied

Simulation of Radiation-Induced DNA Damage With the Code RITRACKS

INTRODUCTION DNA damage is one of the most physiologically important effects of ionizing radiation. Clustered DNA damage events, like double-strand breaks (DSBs), have the most notable biological consequences. DNA damage types depend on both the track structure of the radiation and the spatial organization of the DNA. High linear energy transfer (LET) charged nuclei, found in galactic cosmic rays (GCR), are known to produce large numbers of complex DNA damage events. The human genome is packaged into chromatin, which can take on locus-dependent and cell type-dependent spatial conformations that correspond to epigenetic states, such as more open, extended structures in transcriptionally active chromatin. These epigenetic differences can affect DNA break patterns in response to ionizing radiation, potentially creating distinct DNA repair and signaling outcomes across the genome in different cells. MATERIAL AND METHODS The code RITRACKS (Relativistic Ion Tracks), which simulates stochastic radiation track structures and radiation chemistry, was used to model damage on isolated and histone-bound DNA by various types of ions and photons. The changes made to the code to perform radiation-induced DNA damage, and simulation results on single nucleosomes are given in our recent paper. In this work, the DNA building capabilities of RITRACKS have been extended to simulate more complex DNA structures build on the coarse-grain simulation framework meso-WLCsim. This code can sample generic chromatin fiber conformation ensembles based on the geometry of nucleosomes and mechanical properties of DNA. Using RITRACKS, we simulated the fragment length distributions (FLD) of irradiated DNA structures built using the chromatin conformations of WLCsim and obtained results representative of those obtained with Radiation-Induced Correlated Cleavage with sequencing (RICC-Seq) experiments [6]. We have also performed Fe ion and photon irradiations of K562, IMR90, BJ and RPE-1 cells at NSRL to experimentally validate results. Sample processing and data analysis are in progress and any available preliminary results will be discussed. DISCUSSION The recent updates in the code RITRACKS allow the calculation of several quantities such as the DNA damage yield and the FLD. This approach can be used to model epigenetic state-specific chromatin structure parameters to leverage the epigenetic state data available for many human cell types to infer relative DNA damage sensitivity among genomic loci.

I Plante↗
DOE OSTI2020

Assembly of Building Blocks by Double-End-Anchored Polymers in the Dilute Regime Mediated by Hydrophobic Interactions at Controlled Distances

Hierarchical assembly of building blocks via competing, orthogonal interactions is a hallmark of many of nature’s composite materials that do not require highly specific ligand-receptor interactions. To mimic this assembly mechanism requires the development of building blocks capable of tunable interactions. In the present work, we explored the interplay between repulsive (steric and electrostatic) and attractive hydrophobic forces. The designed building blocks allow hydrophobic forces to effectively act at controlled, large distances, to create and tune the assembly of membrane-based building blocks under dilute conditions and affect their interactions with cellular membranes via physical cross-bridges. Specifically, we employed double-end-anchored poly(ethylene glycol)s (DEA-PEGs)—hydrophilic PEG tethers with hydrophobic tails on both ends. Using differential-interference-contrast optical microscopy, synchrotron small angle X-ray scattering (SAXS), and cryogenic electron microscopy, we investigated the ability of DEA-PEGs to mediate assembly in the dilute regime on multiple length scales and on practical time scales. The PEG length, anchor hydrophobicity, and molar fraction of DEA-PEG molecules within a membrane strongly affect the assembly properties. Additional tuning of the intermembrane interactions can be achieved by adding repulsive interactions via PEG-lipids (steric) or cationic lipids to the DEA-PEG-mediated attractions. Further, while the optical and electron microscope imaging methods provided qualitative evidence of the ability of DEA-PEGs to assemble liposomes, the SAXS measurements and quantitative line-shape analysis in dilute preparations demonstrated that the ensemble average of loosely organized liposomal assemblies maintains DEA-PEG concentration-dependent tethering on defined nanometer length scales. For cationic liposome–DNA nanoparticles (CL–DNA NPs), aggregation induced by DEA-PEGs decreased internalization of NPs by cells, but tuning the DEA-PEG-induced attractions by adding repulsive steric interactions via PEG-lipids limited aggregation and increased NP uptake. However, confocal microscopy imaging together with colocalization studies with Rab11 and LysoTracker as markers of intracellular pathways showed that modifying CL–DNA NPs with DEA-PEGs alters their interactions with the plasma and endosomal membranes.

- x-ray scattering↗
DOE OSTI2021

Flavonoids naringenin chalcone, naringenin, dihydrotricin, and tricin are lignin monomers in papyrus

Recent studies demonstrate that several polyphenolic compounds produced from beyond the canonical monolignol biosynthetic pathways can behave as lignin monomers, participating in radical coupling reactions and being incorporated into lignin polymers. Here, we show various classes of flavonoids, the chalconoid naringenin chalcone, the flavanones naringenin and dihydrotricin, and the flavone tricin, incorporated into the lignin polymer of papyrus (Cyperus papyrus L.) rind. These flavonoids were released from the rind lignin by Derivatization Followed by Reductive Cleavage (DFRC), a chemical degradative method that cleaves the β-ether linkages, indicating that at least a fraction of each was integrated into the lignin as β-ether-linked structures. Due to the particular structure of tricin and dihydrotricin, whose C-3' and C-5' positions at their B-rings are occupied by methoxy groups, these compounds can only be incorporated into the lignin through 4'–O–β bonds. However, naringenin chalcone and naringenin have no substituents at these positions and can therefore form additional carbon–carbon linkages, including 3'– or 5'–β linkages that form phenylcoumaran structures not susceptible to cleavage by DFRC. Furthermore, Nuclear Magnetic Resonance analysis indicated that naringenin chalcone can also form additional linkages through its conjugated double bond. The discovery expands the range of flavonoids incorporated into natural lignins, further broadens the traditional definition of lignin, and enhances the premise that any phenolic compound present at the cell wall during lignification could be oxidized and potentially integrated into the lignin structure, depending only on its chemical compatibility. This study indicates that papyrus lignin has a unique structure, as it is the only lignin known to date that integrates such a diversity of phenolic compounds from different classes of flavonoids. This discovery will open up new ways to engineer and design lignins with specific properties and for enhanced value.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Estimates of Quantum Tunneling Effects for Hydrogen Diffusion in PuO 2

We detail the estimation of activation energies and quantum nuclear vibrational tunneling effects for hydrogen diffusion in PuO 2 based on Density Functional Theory calculations and a quantum double well approximation. We find that results are relatively insensitive to choice of exchange correlation functional. In addition, the representation of spin in the system and use of an extended Hubbard U correction has only a small effect on hydrogen point defect formation energies when the PuO 2 lattice is held fixed at the experimental density. We then compute approximate activation energies for transitions between hydrogen interstitial sites seeded by a semi-empirical quantum model and determine the quantum tunneling enhancement relative to classical kinetic rates. Our model indicates that diffusion rates in H/PuO 2 systems could be enhanced by more than one order of magnitude at ambient conditions and that these effects persist at high temperature. The method we propose here can be used as a fast screening tool for assessing possible quantum nuclear vibrational effects in any number of condensed phase materials and surfaces, where hydrogen hopping tends to follow well defined minimum energy pathways.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1991

GPS orbit determination at the National Geodetic Survey

The National Geodetic Survey (NGS) independently generates precise ephemerides for all available Global Positioning System (GPS) satellites. Beginning in 1991, these ephemerides were produced from double-differenced phase observations solely from the Cooperative International GPS Network (CIGNET) tracking sites. The double-difference technique combines simultaneous observations of two satellites from two ground stations effectively eliminating satellite and ground receiver clock errors, and the Selective Availability (S/A) signal degradation currently in effect. CIGNET is a global GPS tracking network whose primary purpose is to provide data for orbit production. The CIGNET data are collected daily at NGS and are available to the public. Each ephemeris covers a single week and is available within one month after the data were taken. Verification is by baseline repeatability and direct comparison with other ephemerides. Typically, an ephemeris is accurate at a few parts in 10(exp 7). This corresponds to a 10 meter error in the reported satellite positions. NGS is actively investigating methods to improve the accuracy of its orbits, the ultimate goal being one part in 10(exp 8) or better. The ephemerides are generally available to the public through the Coast Guard GPS Information Center or directly from NGS through the Geodetic Information Service. An overview of the techniques and software used in orbit generation will be given, the current status of CIGNET will be described, and a summary of the ephemeris verification results will be presented.

M. S. Schenewerk↗
DOE OSTI2024

Spectroscopic analysis of Pu-bearing compounds in double-walled cells

Spectroscopic analysis of radiological materials has been historically limited to radiological labs with older or less advanced scientific instrumentation. The development of double-walled cells (DWCs) at the Savannah River National Laboratory (SRNL) has enabled Pu-bearing compounds to be removed from radiological laboratories and studied in our radiologically clean spectroscopy laboratory with state-of-the-art instrumentation. In this manuscript, we discuss the contributions of DWCs that have allowed the application of Raman spectroscopy, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), diffuse reflectance spectroscopy (DRS) in the shortwave infrared, and gamma spectroscopy at SRNL. Significant advances have been made in the understanding of the thermal decomposition of Pu(III) and Pu(IV) oxalates, alpha-induced damage to the PuO 2 crystal lattice, and the effect of calcination temperatures on the quality of PuO 2 . These techniques have enabled methods to conduct PuO 2 age dating since last calcination and estimate the calcination temperature with Raman spectroscopy and DRS. Additional spectroscopic information measured with DRIFTS has enabled the observation of the evolution of carbon species with calcination temperature, while gamma spectroscopy provides information on age dating since last purification.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2006

Mode I Toughness Measurements of Core/Facesheet Bonds in Honeycomb Sandwich Structures

Composite sandwich structures will be used in many future applications in aerospace, marine and offshore industries due to the fact that the strength and stiffness to mass ratios surpass any other structural type. Sandwich structure also offers advantages over traditional stiffened panels such as ease of manufacturing and repair. During the last three decades, sandwich structure has been used extensively for secondary structure in aircraft (fuselage floors, rudders and radome structure). Sandwich structure is also used as primary structure in rotorcraft, the most common example being the trailing edge of rotor blades. As with other types of composite construction, sandwich structure exhibits several types of failure mode such as facesheet wrinkling, core crushing and sandwich buckling. Facesheet/core debonding has also been observed in the marine and aerospace industry. During this failure mode, peel stresses applied to an existing facesheet/core debond or an interface low in toughness, results in the facesheet being peeled from the core material, possibly leading to a significant loss in structural integrity of the sandwich panel. In an incident during a test on a liquid hydrogen fuel tank of the X-33 prototype vehicle, the outer graphite/epoxy facesheet and honeycomb core became debonded from the inner facesheet along significant areas, leading to failure of the tank. As a consequence of the accident; significant efforts were made to characterize the toughness of the facesheet/core bond. Currently, the only standardized method available for assessing the quality of the facesheet/core interface is the climbing drum peel test (ASTM D1781). During this test a sandwich beam is removed from a panel and the lip of one of the facesheets is attached to a drum, as shown in Fig. 1. The drum is then rotated along the sandwich beam, causing the facesheet to peel from the core. This method has two major drawbacks. First, it is not possible to obtain quantitative fracture data from the test and so the results can only be used in a qualitative manner. Second, only sandwich structure with thin facesheets can be tested (to facilitate wrapping of the facesheet around the climbing drum). In recognition of the need for a more quantitative facesheet/core fracture test, several workers have devised experimental techniques for characterizing the toughness of the facesheet/core interface. In all of these cases, the tests are designed to yield a mode I-dominated fracture toughness of the facesheet/core interface in a manner similar to that used to determine mode I fracture toughness of composite laminates. In the current work, a modified double cantilever beam is used to measure the mode I-dominated fracture toughness of the interface in a sandwich consisting of glass/phenolic honeycomb core reinforced with graphite epoxy facesheets. Two specimen configurations were tested as shown in Fig 2. The first configuration consisted of reinforcing the facesheets with aluminum blocks (Fig. 2a). In the second configuration unreinforced specimens were tested (Fig. 2b). Climbing drum peel tests were also conducted to compare the fracture behavior observed between this test and the modified double cantilever beam. This paper outlines the test procedures and data reduction strategies used to compute fracture toughness values from the tests. The effect of specimen reinforcement on fracture toughness of the facesheet/core interface is discussed.

Nettles, Alan T.↗
DOE OSTI2019

Experimental Evaluation of the Fast-Neutron Passive Collar (FNPC) Performance and Comparison with Scintillation Based Collars

This report describes a new method for the verification of fresh low enrichment uranium (LEU) fuel assemblies that can reduce International Atomic Energy Agency (IAEA) inspection time in the field and be completely independent of operator declared burnable poison content. The passive measurement makes unattended mode operation practical, and thus provides the potential for reducing inspector time in the field for future applications. The new simplified passive neutron measurement uses the 238 U spontaneous fission in LEU fresh fuel rods to self-interrogate the 235 U mass in the neighboring rods. The measured response increases linearly with the increase in the linear density (LD) of 235 U. The relatively high efficiency of the passive neutron detector (24%) provides good statistical precision (~ 2%) for the singles, doubles, and triples counting rates in the thermal-neutron mode. The three observables makes possible multiplicity analysis so that both the 235 U LD and the effective burnable poison content can be determined independent of the operator declarations. This closes the potential diversion path of miss-declaration the burnable poison content. This report presents the detector design, the as-built system, the detector parameter measurements, the calibration, and the assay uncertainty estimates. The calibration measurements were performed using the Los Alamos Laboratory mockup PWR fuel assembly. The measurements were made in both the fastneutron mode (with Cd/Gd metal liners) and the thermal-neutron mode (no Cd/Gd liners).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

The Role of SnO2 Processing on Ionic Distribution in Double-Cation-Double Halide Perovskites

Moving toward a future of efficient, accessible, and less carbon-reliant energy devices has been at the forefront of energy research innovations for the past 30 years. Metal-halide perovskite (MHP) thin films have gained significant attention due to their flexibility of device applications and tunable capabilities for improving power conversion efficiency. Serving as a gateway to optimize device performance, consideration must be given to chemical synthesis processing techniques. Therefore, how does common substrate processing techniques influence the behavior of MHP phenomena such as ion migration and strain? Here, we demonstrate how a hybrid approach of chemical bath deposition (CBD) and nanoparticle SnO2 substrate processing significantly improves the performance of (FAPbI3)0.97(MAPbBr3)0.03 by reducing micro-strain in the SnO2 lattice, allowing distribution of K+ from K-Cl treatment of substrates to passivate defects formed at the interface and produce higher current in light and dark environments. X-ray diffraction reveals differences in lattice strain behavior with respect to SnO2 substrate processing methods. Through use of conductive atomic force microscopy (c-AFM), conductivity is measured spatially with MHP morphology, showing higher generation of current in both light and dark conditions for films with hybrid processing. Additionally, time-of-flight secondary ionization mass spectrometry (ToF-SIMS) observed the distribution of K+ at the perovskite/SnO2 interface, indicating K+ passivation of defects to improve the power conversion efficiency (PCE) and device stability. We show how understanding the role of ion distribution at the SnO2 and perovskite interface can help reduce the creating of defects and promote a more efficient MHP device.

conductive atomic force microscopy↗
DOE OSTI2020

Carbon Thaw Rate Doubles When Accounting for Subsidence in a Permafrost Warming Experiment

Permafrost soils, which are perennially frozen soils found throughout cold regions, contain vast quantities of carbon and ice. When permafrost thaws, carbon can be lost to the atmosphere, contributing to climate change. This means it is important to track permafrost thaw, which is often done using active layer thickness, or the depth of the seasonally thawed surface layer of soil. However, ice volume can be lost from thawing permafrost, causing the soil surface to drop. Conventional measurements do not account for this surface drop, and the rate of thaw could therefore be underestimated. We found that experimentally warmed soils dropped at a rate of 6 cm year-1, mostly due to loss of ice volume and also due to the loss of soil mass. When accounting for the change in soil surface height over time, the full depth of permafrost thaw was 49% greater. The increased depth of thaw resulted in more than twice as much carbon being thawed as was estimated with standard methods that did not account for subsidence. These findings suggest that permafrost is thawing more quickly than long-term records indicate and that this could result in additional carbon release contributing to climate change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

DNABERT-S: pioneering species differentiation with species-aware DNA embeddings

SUMMARY: We introduce DNABERT-S, a tailored genome model that develops species-aware embeddings to naturally cluster and segregate DNA sequences of different species in the embedding space. Differentiating species from genomic sequences (i.e. DNA and RNA) is vital yet challenging, since many real-world species remain uncharacterized, lacking known genomes for reference. Embedding-based methods are therefore used to differentiate species in an unsupervised manner. DNABERT-S builds upon a pre-trained genome foundation model named DNABERT-2. To encourage effective embeddings to error-prone long-read DNA sequences, we introduce Manifold Instance Mixup (MI-Mix), a contrastive objective that mixes the hidden representations of DNA sequences at randomly selected layers and trains the model to recognize and differentiate these mixed proportions at the output layer. We further enhance it with the proposed Curriculum Contrastive Learning (C2LR) strategy. Empirical results on 28 diverse datasets show DNABERT-S's effectiveness, especially in realistic label-scarce scenarios. For example, it identifies twice more species from a mixture of unlabeled genomic sequences, doubles the Adjusted Rand Index (ARI) in species clustering, and outperforms the top baseline's performance in 10-shot species classification with just a 2-shot training. AVAILABILITY AND IMPLEMENTATION: Model, codes, and data are publically available at https://github.com/MAGICS-LAB/DNABERT_S.

Zhou, Zhihan↗